WorldWideScience

Sample records for energy complexes

  1. Energy, complexity and wealth maximization

    CERN Document Server

    Ayres, Robert

    2016-01-01

    This book is about the mechanisms of wealth creation, or what we like to think of as evolutionary “progress”. For the modern economy, natural wealth consists of complex physical structures of condensed (“frozen”) energy – mass - maintained in the earth’s crust far from thermodynamic equilibrium. However, we usually perceive wealth as created when mutation or “invention” – a change agent - introduces something different, and fitter, and usually after some part of the natural wealth of the planet has been exploited in an episode of “creative destruction”. Selection out of the resulting diversity is determined by survival in a competitive environment, whether a planet, a habitat, or a market. While human wealth is associated with money and what it can buy, it is ultimately based on natural wealth, both as materials transformed into useful artifacts, and how those artifacts, activated by energy, can create and transmit useful information. Humans have learned how to transform natural wealth i...

  2. Europe of energy: convergencies - complexity

    International Nuclear Information System (INIS)

    Chevalier, J.M. and others

    2001-01-01

    This issue of 'Economies et Societes' journal comprises 16 articles dealing with the evolution of European energy markets: the security of European petroleum supplies (P.R. Bauquis); the security of European natural gas supplies (J.M. Dauger); an empirical analysis of the power prices convergence in the European union (J.A. Vega-Cervera, A. Jurado-Malaga); the integration of European power markets, from the juxtaposition of national market to the establishment of a regional market (D. Finon); the fusions-acquisitions in the energy sector and the globalization impact (C.A. Michalet); the reorganization of power economics and the share of right (M.A. Frison-Roche); the European industry facing the new economy (J.M. Chevalier); the confidence stake of the traditional power operators (Y. Benamour, A. Bonanni); status and prospects of gas prices in continental Europe (G. Bellec); the gas and power transport challenges and the access charges fixing (L. David, J. Percebois); the strategic challenges of underground storage in the new European gas context (B. Esnault); stranded costs and deregulation of power networks: some questions raised by the US experience (J. Bezzina); natural gas in Europe and the emergence of spot markets and trading hubs (G. Heyvaert); the competitiveness of the power exchange market of the Netherlands (F. Boisseleau); setting up and de-regulated trades in European markets (H. Geman); the Californian power market (P.L. Joskow). (J.S.)

  3. MARKETING MIX IN OLTENIA ENERGY COMPLEX

    Directory of Open Access Journals (Sweden)

    Păunescu Alberto Nicolae

    2012-12-01

    Full Text Available Electricity generation in Romania it’s realized in percentage 30 % in OLTENIA ENERGY COMPLEX. This is the biggest producer of energy, end coal in the country. Therefore Marketing mix is very important to ensure that the company grows. The final objective is that the volume of sales, market share and growth.

  4. Complex Technical Solution for Renewable Energy

    Directory of Open Access Journals (Sweden)

    Cristian Paul Chioncel

    2010-01-01

    Full Text Available This paper presents a complex technical solution for implementing renewable energy, namely: wind, solar photovoltaic and hydraulics. Because wind and solar photovoltaic energy habe a highly random character, it is required to find solution to store the product energy for unfavorable periods, without wind or solar radiations. This could be achieved using the third type of renewable energy, the hydraulic one, obtained from an hydroelectric pumped storage plant (HPSP, located in the imediate vicinity of the wind and solar photovoltaic plant.

  5. Complex energy system management using optimization techniques

    Energy Technology Data Exchange (ETDEWEB)

    Bridgeman, Stuart; Hurdowar-Castro, Diana; Allen, Rick; Olason, Tryggvi; Welt, Francois

    2010-09-15

    Modern energy systems are often very complex with respect to the mix of generation sources, energy storage, transmission, and avenues to market. Historically, power was provided by government organizations to load centers, and pricing was provided in a regulatory manner. In recent years, this process has been displaced by the independent system operator (ISO). This complexity makes the operation of these systems very difficult, since the components of the system are interdependent. Consequently, computer-based large-scale simulation and optimization methods like Decision Support Systems are now being used. This paper discusses the application of a DSS to operations and planning systems.

  6. Energy Complexity of Recurrent Neural Networks

    Czech Academy of Sciences Publication Activity Database

    Šíma, Jiří

    2014-01-01

    Roč. 26, č. 5 (2014), s. 953-973 ISSN 0899-7667 R&D Projects: GA ČR GAP202/10/1333 Institutional support: RVO:67985807 Keywords : neural network * finite automaton * energy complexity * optimal size Subject RIV: IN - Informatics, Computer Science Impact factor: 2.207, year: 2014

  7. Complex Fluids in Energy Dissipating Systems

    Directory of Open Access Journals (Sweden)

    Francisco J. Galindo-Rosales

    2016-07-01

    Full Text Available The development of engineered systems for energy dissipation (or absorption during impacts or vibrations is an increasing need in our society, mainly for human protection applications, but also for ensuring the right performance of different sort of devices, facilities or installations. In the last decade, new energy dissipating composites based on the use of certain complex fluids have flourished, due to their non-linear relationship between stress and strain rate depending on the flow/field configuration. This manuscript intends to review the different approaches reported in the literature, analyses the fundamental physics behind them and assess their pros and cons from the perspective of their practical applications.

  8. Complexity, rate of energy exchanges and stochasticity

    International Nuclear Information System (INIS)

    Casartelli, M.; Sello, S.

    1987-01-01

    The complexity of trajectories in the phase of anharmonic crystal (mostly a Lennard-Jones chain) is analysed by the variance of microcanonical density and by new parameters P and chi defined, respectively, as the mean value of the time averages and the relative variance of the absolute exchange rate of energies among the normal modes. Evidence is given to the trapping action of residual invariant surfaces in low stochastic regime of motion. The parameter chi, moreover, proves efficient in exploring the border of stochasticity. A simple power law for P vs. the specific energy is obtained and proved to be independent of stochasticity and of the type of anharmonic potential

  9. Exergy Analysis of Complex Ship Energy Systems

    Directory of Open Access Journals (Sweden)

    Pierre Marty

    2016-04-01

    Full Text Available With multiple primary and secondary energy converters (diesel engines, steam turbines, waste heat recovery (WHR and oil-fired boilers, etc. and extensive energy networks (steam, cooling water, exhaust gases, etc., ships may be considered as complex energy systems. Understanding and optimizing such systems requires advanced holistic energy modeling. This modeling can be done in two ways: The simpler approach focuses on energy flows, and has already been tested, approved and presented; a new, more complicated approach, focusing on energy quality, i.e., exergy, is presented in this paper. Exergy analysis has rarely been applied to ships, and, as a general rule, the shipping industry is not familiar with this tool. This paper tries to fill this gap. We start by giving a short reminder of what exergy is and describe the principles of exergy modeling to explain what kind of results should be expected from such an analysis. We then apply these principles to the analysis of a large two-stroke diesel engine with its cooling and exhaust systems. Simulation results are then presented along with the exergy analysis. Finally, we propose solutions for energy and exergy saving which could be applied to marine engines and ships in general.

  10. Energy and the agroeconomic complexity of Ethiopia

    Science.gov (United States)

    Karakatsanis, Georgios

    2016-04-01

    Since the Industrial Revolution, modern agriculture has transformed from a net energy supplier to a net energy user, via the extensive use fossil fuels -that substituted solar energy inputs- and petroleum derivative products (fertilizers) (Pimentel and Pimentel 2008; Woods et al. 2010). This condenses a significant overview of agricultural energetics, especially for economies set on their first stage of development, growth and economic diversification, such as Ethiopia. Ethiopia is the Blue Nile's most upstream country, constituting a very sensitive hydroclimatic area. Since 2008, Ethiopian agriculture experiences a boost in energy use and agricultural value-added per worker, due to the rapid introduction of oil-fueled agricultural machinery that increased productivity and allowed crop diversification. Agriculture in Ethiopia accounts for ~82% of its total exports, ~45% of its Gross Domestic Product (GDP) and ~75% of its total labor force. In addition, Ethiopia's agricultural sector is equipped with a set of new financial tools to deal with hydroclimatic extremes, like the 1983-85 droughts that deteriorated its crop output, causing a devastating famine. In fact, Ethiopia's resilience from the (most) recent drought (2015-16) has been remarkable. These facts signify that Ethiopia satisfies the necessary conditions to become a regional agritrade gravity center in the Blue Nile, granted that the dispersion of agricultural trade comprises a primary tool for securing food supply. As gravity equations have been used to model global trade webs (Tinbergen 1962), similar principles may apply to agritrade as well, for identifying emergent topological structures and supply chains. By examining the relation between energy inputs in agriculture with crop diversification and value-added chains of Ethiopia's agritrade, we could extract accurate information on the importance of energy for the country's agroeconomic complexity and regionalization trend across its first stages of

  11. Energy saving in refineries and petrochemical complexes

    Energy Technology Data Exchange (ETDEWEB)

    Verde, L

    1975-01-01

    Possible measures applicable in the design of refineries and petrochemical complexes, to effect energy savings were investigated. This was not limited to the single process unit problems, on the contrary the attention is mainly addressed to the identification of the interrelations between different units, emphasizing possible integrations. Particularly, the optimization of the pressure levels and number of the utility networks for steam distribution inside plant facilities, is considered, in order to maximize heat recovery in the process units, and electric power production in the central steampower generation plant. A computer program of general application, based on profitability evaluation at various fuel oil prices and different project configurations, has been developed for these purposes. The general measures applicable within certain limits are then briefly examined. The task of the process engineer is discussed in the perspective of the ''energy saving'' goal.

  12. Complex assessment of urban housing energy sustainability

    Science.gov (United States)

    Popova, Olga; Glebova, Julia; Karakozova, Irina

    2018-03-01

    The article presents the results of a complex experimental-analytical research of residential development energy parameters - survey of construction sites and determination of calculated energy parameters (resistance to heat transfer) considering their technical condition. The authors suggest a methodology for assessing residential development energy parameters on the basis of construction project's structural analysis with the use of advanced intelligent collection systems, processing (self-organizing maps - SOM) and data visualization (geo-informational systems - GIS). SOM clustering permitted to divide the housing stock (on the example of Arkhangelsk city) into groups with similar technical-operational and energy parameters. It is also possible to measure energy parameters of construction project of each cluster by comparing them with reference (normative) measures and also with each other. The authors propose mechanisms for increasing the area's energy stability level by implementing a set of reproduction activities for residential development of various groups. The analysis showed that modern multilevel and high-rise construction buildings have the least heat losses. At present, however, ow-rise wood buildings is the dominant styles of buildings of Arkhangelsk city. Data visualisation on the created heat map showed that such housing stock covers the largest urban area. The development strategies for depressed areas is in a high-rise building, which show the economic, social and environmental benefits of upward growth of the city. An urban regeneration programme for severely rundown urban housing estates is in a high-rise construction building, which show the economic, social and environmental benefits of upward growth of the city.

  13. Minimum Energy Requirements in Complex Distillation Arrangements

    Energy Technology Data Exchange (ETDEWEB)

    Halvorsen, Ivar J.

    2001-07-01

    Distillation is the most widely used industrial separation technology and distillation units are responsible for a significant part of the total heat consumption in the world's process industry. In this work we focus on directly (fully thermally) coupled column arrangements for separation of multicomponent mixtures. These systems are also denoted Petlyuk arrangements, where a particular implementation is the dividing wall column. Energy savings in the range of 20-40% have been reported with ternary feed mixtures. In addition to energy savings, such integrated units have also a potential for reduced capital cost, making them extra attractive. However, the industrial use has been limited, and difficulties in design and control have been reported as the main reasons. Minimum energy results have only been available for ternary feed mixtures and sharp product splits. This motivates further research in this area, and this thesis will hopefully give some contributions to better understanding of complex column systems. In the first part we derive the general analytic solution for minimum energy consumption in directly coupled columns for a multicomponent feed and any number of products. To our knowledge, this is a new contribution in the field. The basic assumptions are constant relative volatility, constant pressure and constant molar flows and the derivation is based on Underwood's classical methods. An important conclusion is that the minimum energy consumption in a complex directly integrated multi-product arrangement is the same as for the most difficult split between any pair of the specified products when we consider the performance of a conventional two-product column. We also present the Vmin-diagram, which is a simple graphical tool for visualisation of minimum energy related to feed distribution. The Vmin-diagram provides a simple mean to assess the detailed flow requirements for all parts of a complex directly coupled arrangement. The main purpose in

  14. Minimum Energy Requirements in Complex Distillation Arrangements

    Energy Technology Data Exchange (ETDEWEB)

    Halvorsen, Ivar J

    2001-07-01

    Distillation is the most widely used industrial separation technology and distillation units are responsible for a significant part of the total heat consumption in the world's process industry. In this work we focus on directly (fully thermally) coupled column arrangements for separation of multicomponent mixtures. These systems are also denoted Petlyuk arrangements, where a particular implementation is the dividing wall column. Energy savings in the range of 20-40% have been reported with ternary feed mixtures. In addition to energy savings, such integrated units have also a potential for reduced capital cost, making them extra attractive. However, the industrial use has been limited, and difficulties in design and control have been reported as the main reasons. Minimum energy results have only been available for ternary feed mixtures and sharp product splits. This motivates further research in this area, and this thesis will hopefully give some contributions to better understanding of complex column systems. In the first part we derive the general analytic solution for minimum energy consumption in directly coupled columns for a multicomponent feed and any number of products. To our knowledge, this is a new contribution in the field. The basic assumptions are constant relative volatility, constant pressure and constant molar flows and the derivation is based on Underwood's classical methods. An important conclusion is that the minimum energy consumption in a complex directly integrated multi-product arrangement is the same as for the most difficult split between any pair of the specified products when we consider the performance of a conventional two-product column. We also present the Vmin-diagram, which is a simple graphical tool for visualisation of minimum energy related to feed distribution. The Vmin-diagram provides a simple mean to assess the detailed flow requirements for all parts of a complex directly coupled arrangement. The main purpose in the first

  15. Organoruthenium Complexes for Solar Energy Harvesting

    NARCIS (Netherlands)

    Wadman, S.H.|info:eu-repo/dai/nl/304834084

    2008-01-01

    One of the greatest challenges of this time is providing the world with the energy it needs to sustain human kind's current standard of living. Solar energy is the most abundant and ubiquitous renewable energy source available, and as such it holds great promises. Traditionally, the field of solar

  16. Complex photonic structures for energy efficiency

    Directory of Open Access Journals (Sweden)

    Wiersma D. S.

    2013-06-01

    Full Text Available Photonic structures are playing an increasingly important role in energy efficiency. In particular, they can help to control the flow of light and improve the optical properties of photovoltaic solar cells. We will explain the physics of light transport in such structures with a special focus on disordered materials.

  17. Factors influencing efficient structure of fuel and energy complex

    Science.gov (United States)

    Sidorova, N. G.; Novikova, S. A.

    2017-10-01

    The development of the Russian fuel-energy complex is a priority for the national economic policy, and the Far East is a link between Russia and the Asia-Pacific region. Large-scale engineering of numerous resources of the Far East will force industrial development, increase living standard and strengthen Russia’s position in the global energy market. So, revealing the factors which influence rational structure of the fuel-energy complex is very urgent nowadays. With the use of depth analysis of development tendencies of the complex and its problems the authors show ways of its efficiency improvement.

  18. Energy-momentum complex in Moeller's tetrad theory of gravitation

    International Nuclear Information System (INIS)

    Mikhail, F.I.; Lashin, E.I.

    1991-08-01

    Moeller's tetrad theory of gravitation is examined with regard to the energy-momentum complex. The energy-momentum complex as well as the superpotential associated with Moeller's theory are derived. Moeller's field equations are solved in the case of ''general'' spherical symmetry. Two different solutions, giving rise to the same metric, are obtained. The energy associated with one solution is found to be twice the energy associated with the other. An avenue out of this inconsistency is suggested. (author). 20 refs, 1 tab

  19. Complex fragment emission at low and high excitation energy

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1986-08-01

    Complex fragment emission has been certified as a compound nucleus process at low energies. An extension of the measurements to heavy ion reactions up to 50 MeV/u shows that most complex fragments are emitted by highly excited compound nuclei formed in incomplete fusion reactions. 12 refs., 26 figs

  20. Competing policy packages and the complexity of energy security

    International Nuclear Information System (INIS)

    Sovacool, Benjamin K.; Saunders, Harry

    2014-01-01

    To underscore both the diversity and severity of energy security tradeoffs, this study examines five different energy security policy packages—five distinct strategies aimed at reducing oil dependence, enhancing energy affordability, expanding access to modern energy services, responding to climate change, and minimizing the water intensity of energy production. It identifies both compelling synergies and conflicts between each of the five strategies. The central value of the study is that it turns on its head the widely accepted notion of a “portfolio approach” or “all of the above” strategy to energy policymaking. To make this case, the article begins by elucidating the complexity and multidimensionality of energy security as a concept. It then introduces our five energy security policy packages to illustrate how some energy security objectives complement each other whereas others counteract each other. It concludes by noting that energy security is not an absolute state, and that achieving it only “works” by prioritizing some dimensions, or policy goals and packages, more than others. - Highlights: • Energy security is a complex, multidimensional concept. • Policy packages aimed at achieving energy security often conflict with each other. • Energy security only “works” by prioritizing some dimensions more than others

  1. Complex Hollow Nanostructures: Synthesis and Energy-Related Applications.

    Science.gov (United States)

    Yu, Le; Hu, Han; Wu, Hao Bin; Lou, Xiong Wen David

    2017-04-01

    Hollow nanostructures offer promising potential for advanced energy storage and conversion applications. In the past decade, considerable research efforts have been devoted to the design and synthesis of hollow nanostructures with high complexity by manipulating their geometric morphology, chemical composition, and building block and interior architecture to boost their electrochemical performance, fulfilling the increasing global demand for renewable and sustainable energy sources. In this Review, we present a comprehensive overview of the synthesis and energy-related applications of complex hollow nanostructures. After a brief classification, the design and synthesis of complex hollow nanostructures are described in detail, which include hierarchical hollow spheres, hierarchical tubular structures, hollow polyhedra, and multi-shelled hollow structures, as well as their hybrids with nanocarbon materials. Thereafter, we discuss their niche applications as electrode materials for lithium-ion batteries and hybrid supercapacitors, sulfur hosts for lithium-sulfur batteries, and electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions. The potential superiorities of complex hollow nanostructures for these applications are particularly highlighted. Finally, we conclude this Review with urgent challenges and further research directions of complex hollow nanostructures for energy-related applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Analysis of inter-energy competition in the age of complex energies

    Science.gov (United States)

    1989-12-01

    This is a survey report of the Japan Energy Economics Research Institute. Section 1 describes the energy industry in time of complex energies (History of changes and competition of energy sources. Formation of the energy market. Energy tax). Section 2 describes the present situation and the prospect of the competition among the energies (Present images of competition between industrial sector, civil household sector, transportation sector and the energy conversion sector. Development of the energy utilization system (cogeneration, regional air conditioning, waste heat recovery system, individual air conditioning system. Strategic meaning of the expansion of inter-energy competition market). Section 3 describes the arrangement of the fair competition conditions and the energy policy (Energy policy effect and cost. Energy industrial regulation and its abatement. Competitive energy market and fair competing conditions).

  3. Spherically symmetric solution and a satisfactory energy-momentum complex

    International Nuclear Information System (INIS)

    Nashed, G.G.L.

    2005-01-01

    Mikhail et al. obtained two spherically symmetric solution in Moeller tetrad theory of gravitation. They calculated their energy content and obtained a strange value for the second solution, in spite that the associated metric of these solutions is the same (the Schwarzschild metric). We use another method given bu Gibbons and Hawking to calculate the energy content of these solutions. We also obtained a strange value of energy for the second solution. Studying the requirements of the satisfactory energy-momentum complex given by Moeller we find that the second solution which behaves as 1/√r does not transform as a four-vector under Lorentz transformation

  4. Subsumed complexity: abiogenesis as a by-product of complex energy transduction

    Science.gov (United States)

    Adam, Z. R.; Zubarev, D.; Aono, M.; Cleaves, H. James

    2017-11-01

    The origins of life bring into stark relief the inadequacy of our current synthesis of thermodynamic, chemical, physical and information theory to predict the conditions under which complex, living states of organic matter can arise. Origins research has traditionally proceeded under an array of implicit or explicit guiding principles in lieu of a universal formalism for abiogenesis. Within the framework of a new guiding principle for prebiotic chemistry called subsumed complexity, organic compounds are viewed as by-products of energy transduction phenomena at different scales (subatomic, atomic, molecular and polymeric) that retain energy in the form of bonds that inhibit energy from reaching the ground state. There is evidence for an emergent level of complexity that is overlooked in most conceptualizations of abiogenesis that arises from populations of compounds formed from atomic energy input. We posit that different forms of energy input can exhibit different degrees of dissipation complexity within an identical chemical medium. By extension, the maximum capacity for organic chemical complexification across molecular and macromolecular scales subsumes, rather than emerges from, the underlying complexity of energy transduction processes that drive their production and modification. This article is part of the themed issue 'Reconceptualizing the origins of life'.

  5. HISTORICAL EXPERIENCE OF RUSSIA-KAZAKHSTAN GEO-ENERGY COMPLEX

    Directory of Open Access Journals (Sweden)

    Владимир Ильич Цай

    2015-12-01

    Full Text Available The article analyzes the perspective directions of the Russian Federation and the Republic of Kazakhstan in the sphere of fuel and energy complex. The authors give particular examples of the joint implementation of the adopted documents aimed at strengthening the two countries’ cooperation in the exploration and production of oil and gas in the past decade. Particular attention is paid to the Russia-Kazakhstan cooperation in the spheres of nuclear power, oil and oil products. These areas are considered by the example of the largest enterprises of fuel and energy complexes of Russia and Kazakhstan. One of the main components of the fuel and energy complex is the Petroleum Industry.

  6. Complex Metal Hydrides for Hydrogen, Thermal and Electrochemical Energy Storage

    DEFF Research Database (Denmark)

    Moller, Kasper T.; Sheppard, Drew; Ravnsbaek, Dorthe B.

    2017-01-01

    Hydrogen has a very diverse chemistry and reacts with most other elements to form compounds, which have fascinating structures, compositions and properties. Complex metal hydrides are a rapidly expanding class of materials, approaching multi-functionality, in particular within the energy storage...... inspiration to solve the great challenge of our time: efficient conversion and large-scale storage of renewable energy....... field. This review illustrates that complex metal hydrides may store hydrogen in the solid state, act as novel battery materials, both as electrolytes and electrode materials, or store solar heat in a more efficient manner as compared to traditional heat storage materials. Furthermore, it is highlighted...

  7. Energy Flows in Low-Entropy Complex Systems

    Directory of Open Access Journals (Sweden)

    Eric J. Chaisson

    2015-12-01

    Full Text Available Nature’s many complex systems—physical, biological, and cultural—are islands of low-entropy order within increasingly disordered seas of surrounding, high-entropy chaos. Energy is a principal facilitator of the rising complexity of all such systems in the expanding Universe, including galaxies, stars, planets, life, society, and machines. A large amount of empirical evidence—relating neither entropy nor information, rather energy—suggests that an underlying simplicity guides the emergence and growth of complexity among many known, highly varied systems in the 14-billion-year-old Universe, from big bang to humankind. Energy flows are as centrally important to life and society as they are to stars and galaxies. In particular, the quantity energy rate density—the rate of energy flow per unit mass—can be used to explicate in a consistent, uniform, and unifying way a huge collection of diverse complex systems observed throughout Nature. Operationally, those systems able to utilize optimal amounts of energy tend to survive and those that cannot are non-randomly eliminated.

  8. Quantum complex rotation and uniform semiclassical calculations of complex energy eigenvalues

    International Nuclear Information System (INIS)

    Connor, J.N.L.; Smith, A.D.

    1983-01-01

    Quantum and semiclassical calculations of complex energy eigenvalues have been carried out for an exponential potential of the form V 0 r 2 exp(-r) and Lennard-Jones (12,6) potential. A straightforward method, based on the complex coordinate rotation technique, is described for the quantum calculation of complex eigenenergies. For singular potentials, the method involves an inward and outward integration of the radial Schroedinger equation, followed by matching of the logarithmic derivatives of the wave functions at an intermediate point. For regular potentials, the method is simpler, as only an inward integration is required. Attention is drawn to the World War II researches of Hartree and co-workers who anticipated later quantum mechanical work on the complex rotation method. Complex eigenenergies are also calculated from a uniform semiclassical three turning point quantization formula, which allows for the proximity of the outer pair of complex turning points. Limiting cases of this formula, which are valid for very narrow or very broad widths, are also used in the calculations. We obtain good agreement between the semiclassical and quantum results. For the Lennard-Jones (12,6) potential, we compare resonance energies and widths from the complex energy definition of a resonance with those obtained from the time delay definition

  9. Complex processing of rubber waste through energy recovery

    Directory of Open Access Journals (Sweden)

    Roman Smelík

    2015-12-01

    Full Text Available This article deals with the applied energy recovery solutions for complex processing of rubber waste for energy recovery. It deals specifically with the solution that could maximize possible use of all rubber waste and does not create no additional waste that disposal would be expensive and dangerous for the environment. The project is economically viable and energy self-sufficient. The outputs of the process could replace natural gas and crude oil products. The other part of the process is also the separation of metals, which can be returned to the metallurgical secondary production.

  10. Ultrafast energy transfer in dansylated POPAM--eosin complexes

    Science.gov (United States)

    Aumanen, Jukka; Lehtovuori, Viivi; Werner, Nicole; Richardt, Gabriele; van Heyst, Jeroen; Vögtle, Fritz; Korppi-Tommola, Jouko

    2006-12-01

    Excitation energy transfer (EET) in dendritic host-guest complexes has been studied. Three generations G2, G3 and G4 of dansyl substituted poly(propyleneamine) dendrimers (POPAM) were complexed with a fluorescent dye eosin in chloroform solution. Arrival of excitation from dansyls to eosin was monitored by femtosecond transient absorption spectroscopy. EET rates from the dansyls to eosin(s) are characterised by two time constants 1 ps and 6 ps independent of dendrimer generation. Relaxation processes in eosin were clearly faster when complexed with dendrimer than in solution. As several eosins are bound to G3 and G4 dendrimers, besides host-guest interaction, also eosin-eosin interactions may contribute to the faster relaxation observed in these complexes.

  11. COMPLEX MAPPING OF ENERGY RESOURCES FOR ALLOCATION OF SOLAR AND WIND ENERGY OBJECTS

    Directory of Open Access Journals (Sweden)

    B. A. Novakovskiy

    2016-01-01

    Full Text Available The paper presents developed methodology of solar and wind energy resources complex mapping at the regional level, taking into account the environmental and socio-economic factors affecting the placement of renewable energy facilities. Methodology provides a reasonable search and allocation of areas, the most promising for the placement of wind and solar power plants.

  12. Complexity vs energy: theory of computation and theoretical physics

    International Nuclear Information System (INIS)

    Manin, Y I

    2014-01-01

    This paper is a survey based upon the talk at the satellite QQQ conference to ECM6, 3Quantum: Algebra Geometry Information, Tallinn, July 2012. It is dedicated to the analogy between the notions of complexity in theoretical computer science and energy in physics. This analogy is not metaphorical: I describe three precise mathematical contexts, suggested recently, in which mathematics related to (un)computability is inspired by and to a degree reproduces formalisms of statistical physics and quantum field theory.

  13. A path method for finding energy barriers and minimum energy paths in complex micromagnetic systems

    International Nuclear Information System (INIS)

    Dittrich, R.; Schrefl, T.; Suess, D.; Scholz, W.; Forster, H.; Fidler, J.

    2002-01-01

    Minimum energy paths and energy barriers are calculated for complex micromagnetic systems. The method is based on the nudged elastic band method and uses finite-element techniques to represent granular structures. The method was found to be robust and fast for both simple test problems as well as for large systems such as patterned granular media. The method is used to estimate the energy barriers in CoCr-based perpendicular recording media

  14. Atomic complex. Political history of nuclear energy. Le complexe atomique. Histoire politique de l'energie nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B

    1980-01-01

    The political aspects of the growth of the two facets of the atomic complex have been dealt with in a distinct manner. Hence, this treatise is divided into two parts -two historical accounts- the first 'The explosion' dealing with the arm and the second 'The combustion' linked to the first part and devoted to the production of recoverable energy. Each part seeks to give an overall view of the unfolding of this extraordinary adventure whilst reserving a special destiny to the French aspects.

  15. Structural basis for energy transduction by respiratory alternative complex III.

    Science.gov (United States)

    Sousa, Joana S; Calisto, Filipa; Langer, Julian D; Mills, Deryck J; Refojo, Patrícia N; Teixeira, Miguel; Kühlbrandt, Werner; Vonck, Janet; Pereira, Manuela M

    2018-04-30

    Electron transfer in respiratory chains generates the electrochemical potential that serves as energy source for the cell. Prokaryotes can use a wide range of electron donors and acceptors and may have alternative complexes performing the same catalytic reactions as the mitochondrial complexes. This is the case for the alternative complex III (ACIII), a quinol:cytochrome c/HiPIP oxidoreductase. In order to understand the catalytic mechanism of this respiratory enzyme, we determined the structure of ACIII from Rhodothermus marinus at 3.9 Å resolution by single-particle cryo-electron microscopy. ACIII presents a so-far unique structure, for which we establish the arrangement of the cofactors (four iron-sulfur clusters and six c-type hemes) and propose the location of the quinol-binding site and the presence of two putative proton pathways in the membrane. Altogether, this structure provides insights into a mechanism for energy transduction and introduces ACIII as a redox-driven proton pump.

  16. Decaying states as complex energy eigenvectors in generalized quantum mechanics

    International Nuclear Information System (INIS)

    Sudarshan, E.C.G.; Chiu, C.B.; Gorini, V.

    1977-04-01

    The problem of particle decay is reexamined within the Hamiltonian formalism. By deforming contours of integration, the survival amplitude is expressed as a sum of purely exponential contributions arising from the simple poles of the resolvent on the second sheet plus a background integral along a complex contour GAMMA running below the location of the poles. One observes that the time dependence of the survival amplitude in the small time region is strongly correlated to the asymptotic behaviour of the energy spectrum of the system; one computes the small time behavior of the survival amplitude for a wide variety of asymptotic behaviors. In the special case of the Lee model, using a formal procedure of analytic continuation, it is shown that a complete set of complex energy eigenvectors of the Hamiltonian can be associated with the poles of the resolvent of the background contour GAMMA. These poles and points along GAMMA correspond to the discrete and the continuum states respectively. In this context, each unstable particle is associated with a well defined object, which is a discrete generalized eigenstate of the Hamiltonian having a complex eigenvalue, with its real and negative imaginary parts being the mass and half width of the particle respectively. Finally, one briefly discusses the analytic continuation of the scattering amplitude within this generalized scheme, and notes the appearance of ''redundant poles'' which do not correspond to discrete solutions of the modified eigenvalue problem

  17. One of a kind complex offers unique energy management challenges

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, K. (West Edmonton Mall, Engineering and Maintenance, AB (Canada))

    1993-10-01

    The West Edmonton Mall in Alberta covers ca 5.2 million ft[sup 2] and has over 800 stores and services, 110 eating places, 5 major amusement facilities, a hotel, and 19 movie theaters. The mall was built in three phases, the first of which had a rather standard electrical and mechanical system. The later phases incorporated more complex electric and mechanical equipment. The electrical billing structure for the mall is based on peak demand, and reduction of peak demand is more important than reducing consumption. As may be expected at such a complex facility, opportunities for energy management are numerous. The lighting system was the first to receive attention. The old practice of leaving lights on at all times was replaced by establishing a time clock system on all mall corridor lighting and time controls to all skylight perimeter lighting. Several thousand watts of excess lighting was removed, time clocks were installed on yard and parkade lighting, and energy efficient lamps were installed. These measures not only reduced energy consumption but lowered air conditioning requirements and achieved savings on purchases of lamps and ballasts. In heating systems, it is felt that 2 MW of power can be saved by converting electrical heating units to gas-fired units. A night setback system was installed on the ice plant, and unnecessary loads were eliminated from the parkade ramp heating system. Winter peaks were shaved by installing 4,700 KVAR of power factor correction; this measure paid for itself in 13 months. Further energy management options include converting fans to variable speed drives, installing a cogeneration unit, and installing a more efficient wave generator in the water park. 3 figs.

  18. INFORMATION-ENERGY METHODOLOGY OF THE AIRCRAFT WITH ELECTRIC PROPULSION ENERGY COMPLEX DESIGN

    Directory of Open Access Journals (Sweden)

    Boris Vladimirovich Zhmurov

    2017-01-01

    Full Text Available Research in the field of aircraft development shows that from the point of view of sustainability and energy effi- ciency the most acceptable approach is the transition to all-electric aircraft (AEC. Electrification is aimed primarily on the aircraft most energy-intensive elements efficiency enhancing. Primarily these are power plant and air conditioning system. The actual problem discussed in this article is the development of methodology for the design of aircraft power complex with electric propulsion. The electric power plant literally extends the concept of aircraft power complex. The article con- siders two-level energy-informational design technology of the aircraft power complex. On the energetic level, the energy flows are optimized, and on the information level, the control laws that ensure restrictions compliance and loss minimiza- tion for a given level of entire system reliability are synthesized. From the point of view of sustainability and energy effi- ciency, the most acceptable is the transition to AEC. The proposed information-energy technique provides an opportunity to develop electric and hybrid aircraft with optimal weight and size and energy characteristics due to: electricity consump- tion timeline optimization through the redistribution of electric end users switch on moments, which provides a more uni- form power mode, allowing the same set of electric users to reduce generator rated power, and as a result reduce the flight weight; manage a distributed system of electricity generation that provides the ability to use diverse energy sources; faul tsafety management based on rapid changes in the power network topology; energy recovery control; the sources, convert- ers and users (input circuit and power network real-time diagnostic operations.

  19. Metformin selectively targets redox control of complex I energy transduction

    Directory of Open Access Journals (Sweden)

    Amy R. Cameron

    2018-04-01

    Full Text Available Many guanide-containing drugs are antihyperglycaemic but most exhibit toxicity, to the extent that only the biguanide metformin has enjoyed sustained clinical use. Here, we have isolated unique mitochondrial redox control properties of metformin that are likely to account for this difference. In primary hepatocytes and H4IIE hepatoma cells we found that antihyperglycaemic diguanides DG5-DG10 and the biguanide phenformin were up to 1000-fold more potent than metformin on cell signalling responses, gluconeogenic promoter expression and hepatocyte glucose production. Each drug inhibited cellular oxygen consumption similarly but there were marked differences in other respects. All diguanides and phenformin but not metformin inhibited NADH oxidation in submitochondrial particles, indicative of complex I inhibition, which also corresponded closely with dehydrogenase activity in living cells measured by WST-1. Consistent with these findings, in isolated mitochondria, DG8 but not metformin caused the NADH/NAD+ couple to become more reduced over time and mitochondrial deterioration ensued, suggesting direct inhibition of complex I and mitochondrial toxicity of DG8. In contrast, metformin exerted a selective oxidation of the mitochondrial NADH/NAD+ couple, without triggering mitochondrial deterioration. Together, our results suggest that metformin suppresses energy transduction by selectively inducing a state in complex I where redox and proton transfer domains are no longer efficiently coupled. Keywords: Diabetes, Metformin, Mitochondria, NADH, NAD+

  20. Argon defect complexes in low energy Ar irradiated molybdenum

    International Nuclear Information System (INIS)

    Veen, A. van; Buters, W.T.M.; Kolk, G.J. van der; Caspers, L.M.; Armstrong, T.R.

    1982-01-01

    Thermal desorption spectrometry has been used to study the defects created in Mo irradiated along the direction with Ar ions ranging in energy from 0.1 to 2 keV. In addition to monitoring the release of the implanted Ar, additional information has been obtained by decoration of the defects with low energy helium and subsequent monitoring of the helium release. The studies show evidence that the Ar can be trapped in both substitutional sites and in a configuration in which the Ar is associated with vacancies (ArVsub(n), n >= 2). Most of the Ar implanted at high energy is released at approx. equal to 1500 K by thermal vacancy assisted diffusion. Argon trapped closer to the surface is released at lower temperatures via at least three different surface related release mechanisms. Additional results are presented on the interaction of self interstitial atoms (introduced by 100 eV Xe bombardment) with the Ar defects. Substitutional Ar is found to convert to interstitial Ar which seems to be mobile at room temperature. The Ar-vacancy complexes are found to be reduced to substitutional Ar. The results of atomistic calculations of the release mechanisms will also be presented. (orig.)

  1. (γ,2n) reactions in complexe nuclei at intermediate energies

    International Nuclear Information System (INIS)

    Pinheiro Filho, J. de D.

    1976-01-01

    The Monte Carlo Method has been used in the intranuclear cascade model for the calculation of the cross sections of the (γ,2n) reactions in complex nuclei 9 Be, 12 C, 16 O, 59 Co, 103 Rh, 127 I, 197 Au and 209 Bi at intermediate energies (200MeV-1000MeV). The initial photon-interaction via the photomesonic and quasi-deuteron mechanisms have been taken into account. The nuclear model used was a degenerate Fermi gas of nucleons, and the Pauli exclusion principle was considered in all secondary interactions. To improve accuracy in the results of the calculations, 30000 cascades have been followed for each target nucleus at a given incident photon energy. The probabilities of the various (γ,2n) reactions, as well as the correspondent cross section obtained, are summarized in tables and graphs. New data on the cross sections of the 59 Co (γ,2n) and 209 Bi (γ,2n) reactions at photon energies between 300 MeV and 1000MeV are also reported. These measurements were obtained with the Bremsstrahlung beams of the Frascati 1 GeV Electron Synchrotron. A comparison between all existing data in the literature on the (γ,2n) reaction cross sections and the estimates by the Monte Carlo Method, is presented. (Author) [pt

  2. Energy profile of nanobody–GFP complex under force

    International Nuclear Information System (INIS)

    Klamecka, Kamila; Severin, Philip M; Milles, Lukas F; Gaub, Hermann E; Leonhardt, Heinrich

    2015-01-01

    Nanobodies (Nbs)—the smallest known fully functional and naturally occuring antigen-binding fragments—have attracted a lot of attention throughout the last two decades. Exploring their potential beyond the current use requires more detailed characterization of their binding forces as those cannot be directly derived from the binding affinities. Here we used atomic force microscope to measure rupture force of the Nb–green fluorescent protein (GFP) complex in various pulling geometries and derived the energy profile characterizing the interaction along the direction of the pulling force. We found that—despite identical epitopes—the Nb binds stronger (41–56 pN) to enhanced GFP than to wild-type GFP (28–45 pN). Measured forces make the Nb–GFP pair a potent reference for investigating molecular forces in living systems both in and ex vivo. (paper)

  3. Energy profile of nanobody-GFP complex under force

    Science.gov (United States)

    Klamecka, Kamila; Severin, Philip M.; Milles, Lukas F.; Gaub, Hermann E.; Leonhardt, Heinrich

    2015-10-01

    Nanobodies (Nbs)—the smallest known fully functional and naturally occuring antigen-binding fragments—have attracted a lot of attention throughout the last two decades. Exploring their potential beyond the current use requires more detailed characterization of their binding forces as those cannot be directly derived from the binding affinities. Here we used atomic force microscope to measure rupture force of the Nb-green fluorescent protein (GFP) complex in various pulling geometries and derived the energy profile characterizing the interaction along the direction of the pulling force. We found that—despite identical epitopes—the Nb binds stronger (41-56 pN) to enhanced GFP than to wild-type GFP (28-45 pN). Measured forces make the Nb-GFP pair a potent reference for investigating molecular forces in living systems both in and ex vivo.

  4. Energy profile of nanobody-GFP complex under force.

    Science.gov (United States)

    Klamecka, Kamila; Severin, Philip M; Milles, Lukas F; Gaub, Hermann E; Leonhardt, Heinrich

    2015-09-10

    Nanobodies (Nbs)-the smallest known fully functional and naturally occuring antigen-binding fragments-have attracted a lot of attention throughout the last two decades. Exploring their potential beyond the current use requires more detailed characterization of their binding forces as those cannot be directly derived from the binding affinities. Here we used atomic force microscope to measure rupture force of the Nb-green fluorescent protein (GFP) complex in various pulling geometries and derived the energy profile characterizing the interaction along the direction of the pulling force. We found that-despite identical epitopes-the Nb binds stronger (41-56 pN) to enhanced GFP than to wild-type GFP (28-45 pN). Measured forces make the Nb-GFP pair a potent reference for investigating molecular forces in living systems both in and ex vivo.

  5. Constraining the Surface Energy Balance of Snow in Complex Terrain

    Science.gov (United States)

    Lapo, Karl E.

    Physically-based snow models form the basis of our understanding of current and future water and energy cycles, especially in mountainous terrain. These models are poorly constrained and widely diverge from each other, demonstrating a poor understanding of the surface energy balance. This research aims to improve our understanding of the surface energy balance in regions of complex terrain by improving our confidence in existing observations and improving our knowledge of remotely sensed irradiances (Chapter 1), critically analyzing the representation of boundary layer physics within land models (Chapter 2), and utilizing relatively novel observations to in the diagnoses of model performance (Chapter 3). This research has improved the understanding of the literal and metaphorical boundary between the atmosphere and land surface. Solar irradiances are difficult to observe in regions of complex terrain, as observations are subject to harsh conditions not found in other environments. Quality control methods were developed to handle these unique conditions. These quality control methods facilitated an analysis of estimated solar irradiances over mountainous environments. Errors in the estimated solar irradiance are caused by misrepresenting the effect of clouds over regions of topography and regularly exceed the range of observational uncertainty (up to 80Wm -2) in all regions examined. Uncertainty in the solar irradiance estimates were especially pronounced when averaging over high-elevation basins, with monthly differences between estimates up to 80Wm-2. These findings can inform the selection of a method for estimating the solar irradiance and suggest several avenues of future research for improving existing methods. Further research probed the relationship between the land surface and atmosphere as it pertains to the stable boundary layers that commonly form over snow-covered surfaces. Stable conditions are difficult to represent, especially for low wind speed

  6. Mixed Waste Focus Area: Department of Energy complex needs report

    International Nuclear Information System (INIS)

    Roach, J.A.

    1995-01-01

    The Assistant Secretary for the Office of Environmental Management (EM) at the US Department of Energy (DOE) initiated a new approach in August of 1993 to environmental research and technology development. A key feature of this new approach included establishment of the Mixed Waste Characterization, Treatment, and Disposal Focus Area (MWFA). The mission of the MWFA is to identify, develop, and implement needed technologies such that the major environmental management problems related to meeting DOE's commitments for treatment of mixed wastes under the Federal Facility Compliance Act (FFCA), and in accordance with the Land Disposal Restrictions (LDR) of the Resource Conservation and Recovery Act (RCRA), can be addressed, while cost-effectively expending the funding resources. To define the deficiencies or needs of the EM customers, the MWFA analyzed Proposed Site Treatment Plans (PSTPs), as well as other applicable documents, and conducted site visits throughout the summer of 1995. Representatives from the Office of Waste Management (EM-30), the Office of Environmental Restoration (EM-40), and the Office of Facility Transition and Management (EM-60) at each site visited were requested to consult with the Focus Area to collaboratively define their technology needs. This report documents the needs, deficiencies, technology gaps, and opportunities for expedited treatment activities that were identified during the site visit process. The defined deficiencies and needs are categorized by waste type, namely Wastewaters, Combustible Organics, Sludges/Soils, Debris/Solids, and Unique Wastes, and will be prioritized based on the relative affect the deficiency has on the DOE Complex

  7. Classifier-Guided Sampling for Complex Energy System Optimization

    Energy Technology Data Exchange (ETDEWEB)

    Backlund, Peter B. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Eddy, John P. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    This report documents the results of a Laboratory Directed Research and Development (LDRD) effort enti tled "Classifier - Guided Sampling for Complex Energy System Optimization" that was conducted during FY 2014 and FY 2015. The goal of this proj ect was to develop, implement, and test major improvements to the classifier - guided sampling (CGS) algorithm. CGS is type of evolutionary algorithm for perform ing search and optimization over a set of discrete design variables in the face of one or more objective functions. E xisting evolutionary algorithms, such as genetic algorithms , may require a large number of o bjecti ve function evaluations to identify optimal or near - optimal solutions . Reducing the number of evaluations can result in significant time savings, especially if the objective function is computationally expensive. CGS reduce s the evaluation count by us ing a Bayesian network classifier to filter out non - promising candidate designs , prior to evaluation, based on their posterior probabilit ies . In this project, b oth the single - objective and multi - objective version s of the CGS are developed and tested on a set of benchm ark problems. As a domain - specific case study, CGS is used to design a microgrid for use in islanded mode during an extended bulk power grid outage.

  8. Energetics and Defect Interactions of Complex Oxides for Energy Applications

    Science.gov (United States)

    Solomon, Jonathan Michael

    The goal of this dissertation is to employ computational methods to gain greater insights into the energetics and defect interactions of complex oxides that are relevant for today's energy challenges. To achieve this goal, the development of novel computational methodologies are required to handle complex systems, including systems containing nearly 650 ions and systems with tens of thousands of possible atomic configurations. The systems that are investigated in this dissertation are aliovalently doped lanthanum orthophosphate (LaPO4) due to its potential application as a proton conducting electrolyte for intermediate temperature fuel cells, and aliovalently doped uranium dioxide (UO2) due to its importance in nuclear fuel performance and disposal. First we undertake density-functional-theory (DFT) calculations on the relative energetics of pyrophosphate defects and protons in LaPO4, including their binding with divalent dopant cations. In particular, for supercell calculations with 1.85 mol% Sr doping, we investigate the dopant-binding energies for pyrophosphate defects to be 0.37 eV, which is comparable to the value of 0.34 eV calculated for proton-dopant binding energies in the same system. These results establish that dopant-defect interactions further stabilize proton incorporation, with the hydration enthalpies when the dopants are nearest and furthest from the protons and pyrophosphate defects being -1.66 eV and -1.37 eV, respectively. Even though our calculations show that dopant binding enhances the enthalpic favorability of proton incorporation, they also suggest that such binding is likely to substantially lower the kinetic rate of hydrolysis of pyrophosphate defects. We then shift our focus to solid solutions of fluorite-structured UO 2 with trivalent rare earth fission product cations (M3+=Y, La) using a combination of ionic pair potential and DFT based methods. Calculated enthalpies of formation with respect to constituent oxides show higher

  9. The optimization of energy saving systems on the basis of complex use of renewable sources of energy

    Energy Technology Data Exchange (ETDEWEB)

    Moiseykina, I [Engineering Thermophysics Institute, Ukraine National Academy of Sciences, Kiev (Ukraine)

    1998-12-31

    The use of renewable sources of energy (sun, wind, geothermal, biomass) results in the saving of organic fuel and improvement of environment ecology. The complex systems are the most effective systems based on the several kinds of renewable energy sources with special regard to specific local features (resources, engineering possibilities, energy needs). The similar complex systems are capable to fill in the schedule of energy consumption by the best way, to supply the consumer with different kinds of energy (heat, electricity) during the whole year. They can be used for promoting the most effective solution of power supply problems by the means of using the non-traditional energy sources. The arrangement by units is proposed for the complex system that are being developed for power supply by the means of using renewable sources of energy. In complex systems the particular attention was given to energy accumulation problem, to thermotransformers, working on use of renewable sources of energy and possessing a number of advantages as compared to the other systems (the absence of moving parts, simplicity of service, etc.) Nontraditional complex energy saving systems (CESS) includes the geothermal circulating system (GCS), hello heat collector (HHC) with heating storage (HS) 2 refs.

  10. The optimization of energy saving systems on the basis of complex use of renewable sources of energy

    Energy Technology Data Exchange (ETDEWEB)

    Moiseykina, I. [Engineering Thermophysics Institute, Ukraine National Academy of Sciences, Kiev (Ukraine)

    1997-12-31

    The use of renewable sources of energy (sun, wind, geothermal, biomass) results in the saving of organic fuel and improvement of environment ecology. The complex systems are the most effective systems based on the several kinds of renewable energy sources with special regard to specific local features (resources, engineering possibilities, energy needs). The similar complex systems are capable to fill in the schedule of energy consumption by the best way, to supply the consumer with different kinds of energy (heat, electricity) during the whole year. They can be used for promoting the most effective solution of power supply problems by the means of using the non-traditional energy sources. The arrangement by units is proposed for the complex system that are being developed for power supply by the means of using renewable sources of energy. In complex systems the particular attention was given to energy accumulation problem, to thermotransformers, working on use of renewable sources of energy and possessing a number of advantages as compared to the other systems (the absence of moving parts, simplicity of service, etc.) Nontraditional complex energy saving systems (CESS) includes the geothermal circulating system (GCS), hello heat collector (HHC) with heating storage (HS) 2 refs.

  11. Complex metal hydrides for hydrogen, thermal and electrochemical energy storage

    DEFF Research Database (Denmark)

    Møller, Kasper T.; Sheppard, Drew; Ravnsbæk, Dorthe B.

    2017-01-01

    field. This review illustrates that complex metal hydrides may store hydrogen in the solid state, act as novel battery materials, both as electrolytes and electrode materials, or store solar heat in a more efficient manner as compared to traditional heat storage materials. Furthermore, it is highlighted...... how complex metal hydrides may act in an integrated setup with a fuel cell. This review focuses on the unique properties of light element complex metal hydrides mainly based on boron, nitrogen and aluminum, e.g., metal borohydrides and metal alanates. Our hope is that this review can provide new...

  12. Engineering tools for complex task of reducing energy consumption

    NARCIS (Netherlands)

    Hensen, J.L.M.

    1994-01-01

    Reduction of energy consumption in buildings while ensuring a good indoor environment is a very challenging and difficult engineering task. For this we need tools which are based on an integral approach of the building, control systems, occupants and outdoor environment. A building energy simulation

  13. Excitation energy transfer in natural photosynthetic complexes and chlorophyll trefoils: hole-burning and single complex/trefoil spectroscopic studies

    Energy Technology Data Exchange (ETDEWEB)

    Ryszard Jankowiak, Kansas State University, Department of Chemistry, CBC Bldg., Manhattan KS, 66505; Phone: (785) 532-6785

    2012-09-12

    In this project we studied both natural photosynthetic antenna complexes and various artificial systems (e.g. chlorophyll (Chl) trefoils) using high resolution hole-burning (HB) spectroscopy and excitonic calculations. Results obtained provided more insight into the electronic (excitonic) structure, inhomogeneity, electron-phonon coupling strength, vibrational frequencies, and excitation energy (or electron) transfer (EET) processes in several antennas and reaction centers. For example, our recent work provided important constraints and parameters for more advanced excitonic calculations of CP43, CP47, and PSII core complexes. Improved theoretical description of HB spectra for various model systems offers new insight into the excitonic structure and composition of low-energy absorption traps in very several antenna protein complexes and reaction centers. We anticipate that better understanding of HB spectra obtained for various photosynthetic complexes and their simultaneous fits with other optical spectra (i.e. absorption, emission, and circular dichroism spectra) provides more insight into the underlying electronic structures of these important biological systems. Our recent progress provides a necessary framework for probing the electronic structure of these systems via Hole Burning Spectroscopy. For example, we have shown that the theoretical description of non-resonant holes is more restrictive (in terms of possible site energies) than those of absorption and emission spectra. We have demonstrated that simultaneous description of linear optical spectra along with HB spectra provides more realistic site energies. We have also developed new algorithms to describe both nonresonant and resonant hole-burn spectra using more advanced Redfield theory. Simultaneous description of various optical spectra for complex biological system, e.g. artificial antenna systems, FMO protein complexes, water soluble protein complexes, and various mutants of reaction centers

  14. PI-PI scattering at high complex energies

    International Nuclear Information System (INIS)

    Ciulli, S.; Verzegnassi, C.

    1976-12-01

    We estrapolate the PI-PI amplitudes with isospin one and two in the t-channel onto the imaginary ν approximately equal to (s - u)/4msub(π) axis in the complex ν-plane by means of ''optimal'' Poisson weighted dispersion relations. The values obtained are compared with expected theoretical asymptotic behaviours and found not to be inconsistent with the possibility of a ''precocious asymptotism'' setting for imaginary ν-values

  15. Prediction of wind energy distribution in complex terrain using CFD

    DEFF Research Database (Denmark)

    Xu, Chang; Li, Chenqi; Yang, Jianchuan

    2013-01-01

    Based on linear models, WAsP software predicts wind energy distribution, with a good accuracy for flat terrain, but with a large error under complicated topography. In this paper, numerical simulations are carried out using the FLUENT software on a mesh generated by the GAMBIT and ARGIS software ...

  16. Systems-Level Energy Audit for Main Complex, Construction Engineering Research Laboratory

    National Research Council Canada - National Science Library

    Lin, Mike

    2003-01-01

    ... (Buildings 1, 2, and 3) was conducted. The goals of the audit were to review energy and water use in the current main complex building, to review and inventory energy system equipment, and to devise short- and long-term energy improvement...

  17. Nuclear Energy Complexes: Prospects for Development and Cooperation

    OpenAIRE

    Vinokurov, Evgeny

    2008-01-01

    1. 2005–2006 was a critical period in the development of the nuclear complexes of Russian Federation and the Republic of Kazakhstan. These years have ushered in a “nuclear renaissance”. Russia’s nuclear sector was subject to a total systemic review; the Federal Target Program (FTP) allocated to it funds totaling more than USD 55 billion. A decision was taken to consolidate all nuclear assets within one state corporation. Kazakhstan implemented the “15000 tons uranium by 2010” state developmen...

  18. Underground nuclear energy complexes - technical and economic advantages

    Energy Technology Data Exchange (ETDEWEB)

    Myers, Carl W [Los Alamos National Laboratory; Kunze, Jay F [IDAHO STATE UNIV; Giraud, Kellen M [BABECOCK AND WILCOX; Mahar, James M [IDAHO STATE UNIV

    2010-01-01

    Underground nuclear power plant parks have been projected to be economically feasible compared to above ground instalIations. This paper includes a thorough cost analysis of the savings, compared to above ground facilities, resulting from in-place entombment (decommissioning) of facilities at the end of their life. reduced costs of security for the lifetime of the various facilities in the underground park. reduced transportation costs. and reduced costs in the operation of the waste storage complex (also underground). compared to the fair share of the costs of operating a national waste repository.

  19. Energy and complex industrial systems environmental emissions data reporting and acquisition

    International Nuclear Information System (INIS)

    Moskowitz, P.D.; Hamilton, L.D.

    1987-07-01

    The Joint International Atomic Energy Agency (IAEA), UNEP and WHO Project on Assessing and Managing Health and Environmental risks from Energy and Other Complex Technologies intends to complile emissions data for mportant energy systems and other complex technologies from a wide variety of countries. To facilitate data generation and compilation, this report: outlines data reporting protocols; identifies potential information sources; demonstrates how to estimate coefficients; presents some compiled US emission coefficients or criteria air pollutants for some energy process; and, compares national air emission standards for electricity generating plants in OECD member countries. 27 refs., 2 fis., 1 tabs

  20. Diversification of companies' activity of the Arctic fuel and energy complex

    Directory of Open Access Journals (Sweden)

    Fedoseev S. V.

    2015-09-01

    Full Text Available The analysis of diversification role in company's activity has been considered. Special attention has been paid to the levels of strategy for a diversified company of the fuel and energy complex

  1. CONTROLLING AS A MECHANISM TO INCREASE THE EFFICIENCY OF MANAGEMENT ENTERPRISES OF FUEL-ENERGY COMPLEX

    Directory of Open Access Journals (Sweden)

    M. A. Ostashkin

    2013-01-01

    Full Text Available This article discusses the possibility of application of controlling as mechanism of increasing the efficiency of management of enterprises of fuel- energy complex. The research was conducted on the materials of the JSC «Gazprom».

  2. Ultrafast Dynamics of Dansylated POPAM Dendrimers and Energy Transfer in their Dye Complexes

    Science.gov (United States)

    Aumanen, J.; Kesti, T.; Sundström, V.; Vögtle, F.; Korppi-Tommola, J.

    We have studied internal dynamics of dansylated poly(propyleneamine) dendrimers of different generations in solution and excitation energy transfer from dansyl chromophores to xanthene dyes that form van der Waals complexes with the dendrimers

  3. Computational design of RNAs with complex energy landscapes.

    Science.gov (United States)

    Höner zu Siederdissen, Christian; Hammer, Stefan; Abfalter, Ingrid; Hofacker, Ivo L; Flamm, Christoph; Stadler, Peter F

    2013-12-01

    RNA has become an integral building material in synthetic biology. Dominated by their secondary structures, which can be computed efficiently, RNA molecules are amenable not only to in vitro and in vivo selection, but also to rational, computation-based design. While the inverse folding problem of constructing an RNA sequence with a prescribed ground-state structure has received considerable attention for nearly two decades, there have been few efforts to design RNAs that can switch between distinct prescribed conformations. We introduce a user-friendly tool for designing RNA sequences that fold into multiple target structures. The underlying algorithm makes use of a combination of graph coloring and heuristic local optimization to find sequences whose energy landscapes are dominated by the prescribed conformations. A flexible interface allows the specification of a wide range of design goals. We demonstrate that bi- and tri-stable "switches" can be designed easily with moderate computational effort for the vast majority of compatible combinations of desired target structures. RNAdesign is freely available under the GPL-v3 license. Copyright © 2013 Wiley Periodicals, Inc.

  4. Energy-Independent Architectural Models for Residential Complex Plans through Solar Energy in Daegu Metropolitan City, South Korea

    Directory of Open Access Journals (Sweden)

    Sung-Yul Kim

    2018-02-01

    Full Text Available This study suggests energy-independent architectural models for residential complexes through the production of solar-energy-based renewable energy. Daegu Metropolitan City, South Korea, was selected as the target area for the residential complex. An optimal location in the area was selected to maximize the production of solar-energy-based renewable energy. Then, several architectural design models were developed. Next, after analyzing the energy-use patterns of each design model, economic analyses were conducted considering the profits generated from renewable-energy use. In this way, the optimum residential building model was identified. For this site, optimal solar power generation efficiency was obtained when solar panels were installed at 25° angles. Thus, the sloped roof angles were set to 25°, and the average height of the internal space of the highest floor was set to 1.8 m. Based on this model, analyses were performed regarding energy self-sufficiency improvement and economics. It was verified that connecting solar power generation capacity from a zero-energy perspective considering the consumer’s amount of power consumption was more effective than connecting maximum solar power generation capacity according to building structure. Moreover, it was verified that selecting a subsidizable solar power generation capacity according to the residential solar power facility connection can maximize operational benefits.

  5. Asilomar conference on managing complexity in high energy physics: A summary and renaming of the conference

    International Nuclear Information System (INIS)

    Nash, T.

    1987-02-01

    The complex aspects of high energy physics work are briefly described, and approaches to managing them are discussed. Management of software and data are covered. For managing complexity in experimental physics, the choice of building or buying processor systems is addressed and the issues of compatibility and standardization are discussed

  6. Department of Energy Nuclear Material Protection, Control, and Accounting Program at the Mangyshlak Atomic Energy Complex, Aktau, Republic of Kazakhstan

    International Nuclear Information System (INIS)

    Case, R.; Berry, R.B.; Eras, A.

    1998-01-01

    As part of the Cooperative Threat Reduction Nuclear Material Protection, Control, and Accounting (MPC and A) Program, the US Department of Energy and Mangyshlak Atomic Energy Complex (MAEC), Aktau, Republic of Kazakstan have cooperated to enhance existing MAEC MPC and A features at the BN-350 liquid-metal fast-breeder reactor. This paper describes the methodology of the enhancement activities and provides representative examples of the MPC and A augmentation implemented at the MAEC

  7. Energy transfer from natural photosynthetic complexes to single-wall carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Wiwatowski, Kamil [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland); Dużyńska, Anna; Świniarski, Michał [Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw (Poland); Szalkowski, Marcin [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland); Zdrojek, Mariusz; Judek, Jarosław [Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw (Poland); Mackowski, Sebastian, E-mail: mackowski@fizyka.umk.pl [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland); Wroclaw Research Center EIT+, Stablowicka 147, Wroclaw (Poland); Kaminska, Izabela [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland)

    2016-02-15

    Combination of fluorescence imaging and spectroscopy results indicates that single-walled carbon nanotubes are extremely efficient quenchers of fluorescence emission associated with chlorophylls embedded in a natural photosynthetic complex, peridinin-chlorophyll-protein. When deposited on a network of the carbon nanotubes forming a thin film, the emission of the photosynthetic complexes diminishes almost completely. This strong reduction of fluorescence intensity is accompanied with dramatic shortening of the fluorescence lifetime. Concluding, such thin films of carbon nanotubes can be extremely efficient energy acceptors in structures involving biologically functional complexes. - Highlights: • Fluorescence imaging of carbon nanotube - based hybrid structure. • Observation of efficient energy transfer from chlorophylls to carbon nanotubes.

  8. Energy transfer processes in Tb(III)-dibenzoylmethanate complexes with phosphine oxide ligands

    International Nuclear Information System (INIS)

    Silva Junior, Francisco A.; Nascimento, Helenise A.; Pereira, Dariston K.S.; Teotonio, Ercules E.S.; Espinola, Jose Geraldo P.; Faustino, Wagner M.; Sa, Gilberto F.

    2013-01-01

    The Tb 3+ -β-diketonate complexes [Tb(DBM) 3 L], [Tb(DBM) 2 (NO 3 )L 2 ] and [Tb(DBM)(NO 3 ) 2 (HMPA) 2 ] (DBM = dibenzoylmethanate; L: TPPO triphenylphosphine oxide or HMPA=hexamethylphosphine oxide) were prepared and characterized by elemental analysis (CHN), complexometric titration with EDTA and Fourier transform infrared (FTIR) spectroscopy, and the photoluminescence properties evaluated. The triplet state energies of the coordinated DBM ligands were determined using time-resolved phosphorescence spectra of analogous Gd 3+ complexes. The results show that the energies increase along with the number of coordinated nitrate anions replacing the DBM ligand in the complexes. The luminescence spectra and emission lifetime measurements revealed that the ligand-to-metal energy transfer efficiency follows the same tendency. Unlike the tris-DBM complexes, bis- and mono-DBM presented high luminescence, and may act as promising candidates for preparation of the emitting layer of light converting molecular devices (LCMDs). (author)

  9. Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes

    International Nuclear Information System (INIS)

    Mercero, Jose M.; Mujika, Jon I.; Matxain, Jon M.; Lopez, Xabier; Ugalde, Jesus M.

    2003-01-01

    A sequential ligand addition to the aluminum (III) cation has been studied using the B3LYP functional and a combined all-electron/pseudopotentials basis set. The aluminum complexes are compared with analogous magnesium (II) complexes. Different thermodynamical data, such as incremental binding energies, enthalpies, entropies and free energies, are presented for these addition reactions. While the magnesium (II) cation can only accommodate three negatively charged ligands, aluminum (III) accommodates four even after including bulk solvent effects. The main differences between both cations complexing with the neutral ligands, is that aluminum (III) is not able to form complexes with methanol until the number of methanol ligands is equal to 3. Magnesium (II) prefers to bind methanol and formamide when the number of ligands is small, while aluminum prefers formamide. For the largest complexes both cations prefer to bind water

  10. Energy transfer and clustering of photosynthetic light-harvesting complexes in reconstituted lipid membranes

    International Nuclear Information System (INIS)

    Dewa, Takehisa; Sumino, Ayumi; Watanabe, Natsuko; Noji, Tomoyasu; Nango, Mamoru

    2013-01-01

    Highlights: ► Photosynthetic light-harvesting complexes were reconstituted into lipid membranes. ► Energy transfers between light-harvesting complexes were examined. ► Atomic force microscopy indicated cluster formation of light-harvesting complexes. ► Efficient energy transfer was observed for the clustered complexes in the membranes. - Abstract: In purple photosynthetic bacteria, light-harvesting complex 2 (LH2) and light harvesting/reaction centre core complex (LH1-RC) play the key roles of capturing and transferring light energy and subsequent charge separation. These photosynthetic apparatuses form a supramolecular assembly; however, how the assembly influences the efficiency of energy conversion is not yet clear. We addressed this issue by evaluating the energy transfer in reconstituted photosynthetic protein complexes LH2 and LH1-RC and studying the structures and the membrane environment of the LH2/LH1-RC assemblies, which had been embedded into various lipid bilayers. Thus, LH2 and LH1-RC from Rhodopseudomonas palustris 2.1.6 were reconstituted in phosphatidylglycerol (PG), phosphatidylcholine (PC), and phosphatidylethanolamine (PE)/PG/cardiolipin (CL). Efficient energy transfer from LH2 to LH1-RC was observed in the PC and PE/PG/CL membranes. Atomic force microscopy revealed that LH2 and LH1-RC were heterogeneously distributed to form clusters in the PC and PE/PG/CL membranes. The results indicated that the phospholipid species influenced the cluster formation of LH2 and LH1-RC as well as the energy transfer efficiency

  11. Energy transfer and clustering of photosynthetic light-harvesting complexes in reconstituted lipid membranes

    Energy Technology Data Exchange (ETDEWEB)

    Dewa, Takehisa, E-mail: takedewa@nitech.ac.jp [Department of Frontier Materials, Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Japan Science and Technology, PRESTO, 4-1-8 Honcho Kawaguchi, Saitama 332-0012 (Japan); Sumino, Ayumi; Watanabe, Natsuko; Noji, Tomoyasu [Department of Frontier Materials, Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Nango, Mamoru, E-mail: nango@nitech.ac.jp [Department of Frontier Materials, Graduate School of Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)

    2013-06-20

    Highlights: ► Photosynthetic light-harvesting complexes were reconstituted into lipid membranes. ► Energy transfers between light-harvesting complexes were examined. ► Atomic force microscopy indicated cluster formation of light-harvesting complexes. ► Efficient energy transfer was observed for the clustered complexes in the membranes. - Abstract: In purple photosynthetic bacteria, light-harvesting complex 2 (LH2) and light harvesting/reaction centre core complex (LH1-RC) play the key roles of capturing and transferring light energy and subsequent charge separation. These photosynthetic apparatuses form a supramolecular assembly; however, how the assembly influences the efficiency of energy conversion is not yet clear. We addressed this issue by evaluating the energy transfer in reconstituted photosynthetic protein complexes LH2 and LH1-RC and studying the structures and the membrane environment of the LH2/LH1-RC assemblies, which had been embedded into various lipid bilayers. Thus, LH2 and LH1-RC from Rhodopseudomonas palustris 2.1.6 were reconstituted in phosphatidylglycerol (PG), phosphatidylcholine (PC), and phosphatidylethanolamine (PE)/PG/cardiolipin (CL). Efficient energy transfer from LH2 to LH1-RC was observed in the PC and PE/PG/CL membranes. Atomic force microscopy revealed that LH2 and LH1-RC were heterogeneously distributed to form clusters in the PC and PE/PG/CL membranes. The results indicated that the phospholipid species influenced the cluster formation of LH2 and LH1-RC as well as the energy transfer efficiency.

  12. Is increased energy utilization linked to greater cultural complexity? Energy utilization by Australian Aboriginals and traditional swidden agriculturalists

    Energy Technology Data Exchange (ETDEWEB)

    Reijnders, L. [Expertisecentrum Duurzame Ontwikkeling en Instituut voor Biodiversiteit en Ecosysteem Dynamica ECDO/IBED, University of Amsterdam, Amsterdam (Netherlands)

    2006-09-15

    Theories have been proposed that link increases in energy utilization to increases in cultural complexity. Indeed, available estimates of per capita non-food energy utilization by hunter - gatherers and by people practising swidden agriculture in wooded areas, focusing on fuel wood use, are roughly 1 - 2 orders of magnitude lower than for industrial societies. The latter are in the range of 0.8 - 3.4 x 10{sup 5} MJ year{sup -1}. However, apart from the use of fuel wood, the former estimates have not included work performed by burning vegetation. Here quantitative estimates are given of recent energy utilization linked to burning biomass by Australian Aboriginals and people practising traditional swidden agriculture. Per capita energy utilization linked to biomass burning by Australian Aboriginals is estimated at 1.6 x 10{sup 6} to 4.0 x 10{sup 7} MJ year{sup -1}. Estimated per capita energy utilization associated with burning biomass in traditional swidden agriculture in the tropical rainforests of Kalimantan and Venezuela, the dry forest of north-eastern Brazil and the miombo woodland of Zambia is in the range of 1.0 x 10{sup 5} to 6.3 x 10{sup 5} MJ year{sup -1}. The values for non-food energy utilization reported here are at variance with theories that link increases in energy utilization to increases in cultural complexity.

  13. Nonphotochemical Hole-Burning Studies of Energy Transfer Dynamics in Antenna Complexes of Photosynthetic Bacteria

    International Nuclear Information System (INIS)

    Satoshi Matsuzaki

    2002-01-01

    Burn wavelength (λ B )-dependent nonphotochemical hole spectra are reported for the lowest energy Q y -absorption band of the Fenna-Matthews-Olson (FMO) trimer complex from Prosthecochloris aestuarii. This band at 825 nm is contributed to by three states that stem from the lowest energy state of the subunit of the trimer. The spectra reveal unusually rich and quite sharp low energy satellite structure that consists of holes at 18, 24, 36, 48, 72, 120 and 165 cm -1 as measured relative to the resonant hole at λ B . The possibility that some of these holes are due to correlated downward energy transfer from the two higher energy states that contribute to the 825 nm band could be rejected. Thus, the FMO complex is yet another example of a photosynthetic complex for which structural heterogeneity results in distributions for the values of the energy gaps between Q y -states. The results of theoretical simulations of the hole spectra are consistent with the above holes being due to intermolecular phonons and low energy intramolecular vibrations of the bacteriochlorophyll a (BChl a) molecule. The 36 cm -1 and higher energy modes are most likely due to the intramolecular BChl a modes. The simulations lead to the determination of the Huang-Rhys (S) factor for all modes

  14. Energy-scales convergence for optimal and robust quantum transport in photosynthetic complexes

    Energy Technology Data Exchange (ETDEWEB)

    Mohseni, M. [Google Research, Venice, California 90291 (United States); Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Shabani, A. [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Department of Chemistry, University of California at Berkeley, Berkeley, California 94720 (United States); Lloyd, S. [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Rabitz, H. [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States)

    2014-01-21

    Underlying physical principles for the high efficiency of excitation energy transfer in light-harvesting complexes are not fully understood. Notably, the degree of robustness of these systems for transporting energy is not known considering their realistic interactions with vibrational and radiative environments within the surrounding solvent and scaffold proteins. In this work, we employ an efficient technique to estimate energy transfer efficiency of such complex excitonic systems. We observe that the dynamics of the Fenna-Matthews-Olson (FMO) complex leads to optimal and robust energy transport due to a convergence of energy scales among all important internal and external parameters. In particular, we show that the FMO energy transfer efficiency is optimum and stable with respect to important parameters of environmental interactions including reorganization energy λ, bath frequency cutoff γ, temperature T, and bath spatial correlations. We identify the ratio of k{sub B}λT/ℏγ⁢g as a single key parameter governing quantum transport efficiency, where g is the average excitonic energy gap.

  15. Energy-scales convergence for optimal and robust quantum transport in photosynthetic complexes

    International Nuclear Information System (INIS)

    Mohseni, M.; Shabani, A.; Lloyd, S.; Rabitz, H.

    2014-01-01

    Underlying physical principles for the high efficiency of excitation energy transfer in light-harvesting complexes are not fully understood. Notably, the degree of robustness of these systems for transporting energy is not known considering their realistic interactions with vibrational and radiative environments within the surrounding solvent and scaffold proteins. In this work, we employ an efficient technique to estimate energy transfer efficiency of such complex excitonic systems. We observe that the dynamics of the Fenna-Matthews-Olson (FMO) complex leads to optimal and robust energy transport due to a convergence of energy scales among all important internal and external parameters. In particular, we show that the FMO energy transfer efficiency is optimum and stable with respect to important parameters of environmental interactions including reorganization energy λ, bath frequency cutoff γ, temperature T, and bath spatial correlations. We identify the ratio of k B λT/ℏγ⁢g as a single key parameter governing quantum transport efficiency, where g is the average excitonic energy gap

  16. Value of spatial planning for large mining and energy complexes. [Yugoslavia

    Energy Technology Data Exchange (ETDEWEB)

    Matko, Z; Spasic, N

    1982-01-01

    In the example of the Kosovo complex (Socialist Federated Republic of Yugoslovia) an examination is made of the value of developing a spatial plan for the territory of large mining-energy complexes. The goals and expected results of spatial planning are discussed. The open method of working lignite, fuel shale and other fossil energy raw material fields at the modern level of development of technology, in addition to large-volume physical interferences in space, causes considerable structural changes of functional-economic, socioeconomic and psychological-sociological nature in the direct zone of influence of the mining-energy complex. Improvement in technology of working a lignite field does not guarantee in the near future any solutions in developing the mining-energy complexes, and therefore it is necessary to count on considerable volume of degradation of space which is governed by the existing technology. Under these conditions detailed planning and regulation of space is especially important, if one views them as a component part of long term policy for development of the mining energy complex and the zones of its influence.

  17. Nonphotochemical Hole-Burning Studies of Energy Transfer Dynamics in Antenna Complexes of Photosynthetic Bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Matsuzaki, Satoshi [Iowa State Univ., Ames, IA (United States)

    2001-01-01

    This thesis contains the candidate's original work on excitonic structure and energy transfer dynamics of two bacterial antenna complexes as studied using spectral hole-burning spectroscopy. The general introduction is divided into two chapters (1 and 2). Chapter 1 provides background material on photosynthesis and bacterial antenna complexes with emphasis on the two bacterial antenna systems related to the thesis research. Chapter 2 reviews the underlying principles and mechanism of persistent nonphotochemical hole-burning (NPHB) spectroscopy. Relevant energy transfer theories are also discussed. Chapters 3 and 4 are papers by the candidate that have been published. Chapter 3 describes the application of NPHB spectroscopy to the Fenna-Matthews-Olson (FMO) complex from the green sulfur bacterium Prosthecochloris aestuarii; emphasis is on determination of the low energy vibrational structure that is important for understanding the energy transfer process associated within three lowest energy Qy-states of the complex. The results are compared with those obtained earlier on the FMO complex from Chlorobium tepidum. In Chapter 4, the energy transfer dynamics of the B800 molecules of intact LH2 and B800-deficient LH2 complexes of the purple bacterium Rhodopseudomonas acidophila are compared. New insights on the additional decay channel of the B800 ring of bacteriochlorophylla (BChla) molecules are provided. General conclusions are given in Chapter 5. A version of the hole spectrum simulation program written by the candidate for the FMO complex study (Chapter 3) is included as an appendix. The references for each chapter are given at the end of each chapter.

  18. Complex networks-based energy-efficient evolution model for wireless sensor networks

    Energy Technology Data Exchange (ETDEWEB)

    Zhu Hailin [Beijing Key Laboratory of Intelligent Telecommunications Software and Multimedia, Beijing University of Posts and Telecommunications, P.O. Box 106, Beijing 100876 (China)], E-mail: zhuhailin19@gmail.com; Luo Hong [Beijing Key Laboratory of Intelligent Telecommunications Software and Multimedia, Beijing University of Posts and Telecommunications, P.O. Box 106, Beijing 100876 (China); Peng Haipeng; Li Lixiang; Luo Qun [Information Secure Center, State Key Laboratory of Networking and Switching Technology, Beijing University of Posts and Telecommunications, P.O. Box 145, Beijing 100876 (China)

    2009-08-30

    Based on complex networks theory, we present two self-organized energy-efficient models for wireless sensor networks in this paper. The first model constructs the wireless sensor networks according to the connectivity and remaining energy of each sensor node, thus it can produce scale-free networks which have a performance of random error tolerance. In the second model, we not only consider the remaining energy, but also introduce the constraint of links to each node. This model can make the energy consumption of the whole network more balanced. Finally, we present the numerical experiments of the two models.

  19. Complex networks-based energy-efficient evolution model for wireless sensor networks

    International Nuclear Information System (INIS)

    Zhu Hailin; Luo Hong; Peng Haipeng; Li Lixiang; Luo Qun

    2009-01-01

    Based on complex networks theory, we present two self-organized energy-efficient models for wireless sensor networks in this paper. The first model constructs the wireless sensor networks according to the connectivity and remaining energy of each sensor node, thus it can produce scale-free networks which have a performance of random error tolerance. In the second model, we not only consider the remaining energy, but also introduce the constraint of links to each node. This model can make the energy consumption of the whole network more balanced. Finally, we present the numerical experiments of the two models.

  20. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Science.gov (United States)

    Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

    2018-01-01

    Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

  1. Complex energy eigenvalues of a linear potential with a parabolical barrier

    International Nuclear Information System (INIS)

    Malherbe, J.B.

    1978-01-01

    The physical meaning and restrictions of complex energy eigenvalues are briefly discussed. It is indicated that a quasi-stationary phase describes an idealised disintegration system. Approximate resonance-eigenvalues of the one dimensional Schrodinger equation with a linear potential and parabolic barrier are calculated by means of Connor's semiclassical method. This method is based on the generalized WKB-method of Miller and Good. The results obtained confirm the correctness of a model representation which explains the unusual distribution of eigenvalues by certain other linear potentials in a complex energy level [af

  2. A schematic model for energy and charge transfer in the chlorophyll complex

    DEFF Research Database (Denmark)

    Bohr, Henrik; Malik, F.B.

    2011-01-01

    A theory for simultaneous charge and energy transfer in the carotenoid-chlorophyll-a complex is presented here and discussed. The observed charge transfer process in these chloroplast complexes is reasonably explained in terms of this theory. In addition, the process leads to a mechanism to drive...... an electron in a lower to a higher-energy state, thus providing a mechanism for the ejection of the electron to a nearby molecule (chlorophyll) or into the environment. The observed lifetimes of the electronically excited states are in accord/agreement with the investigations of Sundström et al....... and are in the range of pico-seconds and less. The change in electronic charge distribution in internuclear space as the system undergoes an electronic transition to a higher-energy state could, under appropriate physical conditions, lead to oscillating dipoles capable of transmitting energy from the carotenoid-chlorophylls...

  3. Symmetry-adapted perturbation theory interaction energy decomposition for some noble gas complexes

    Science.gov (United States)

    Cukras, Janusz; Sadlej, Joanna

    2008-06-01

    This Letter contains a study of the interaction energy in HArF⋯N 2 and HArF⋯P 2 complexes. Symmetry-adapted perturbation theory (SAPT) has been applied to analyze the electrostatic, induction, dispersion and exchange contributions to the total interaction energy. The interaction energy has also been obtained by supermolecular method at the MP2, MP4, CCSD, CCSD(T) levels. The interaction energy for the studied complexes results from a partial cancelation of large attractive electrostatic, induction, dispersion terms by a strong repulsive exchange contribution. The induction and dispersion effects proved to be crucial in establishing the preference for the colinear HArF⋯N 2 and HArF⋯P 2 structures and shift direction of νHAr stretching vibrations.

  4. Approaches for Planning and Implementing Sustainable Energy Growth in a Complex World: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Snyder, N.; Schwab, A.

    2012-06-01

    The subject of sustainable energy development has been widely discussed and debated in recent years. However, despite widespread interest, progress toward this goal has been limited. This paper will build on current thinking related to sustainable development, energy forecasting, and complexity theory and show how past roadmapping methodologies fall short. While proposing ways of thinking about our responses to global changes, we consider how we can create and discover the pathways through those unpredictable changes toward high global renewables penetration.

  5. The Control Based on Internal Average Kinetic Energy in Complex Environment for Multi-robot System

    Science.gov (United States)

    Yang, Mao; Tian, Yantao; Yin, Xianghua

    In this paper, reference trajectory is designed according to minimum energy consumed for multi-robot system, which nonlinear programming and cubic spline interpolation are adopted. The control strategy is composed of two levels, which lower-level is simple PD control and the upper-level is based on the internal average kinetic energy for multi-robot system in the complex environment with velocity damping. Simulation tests verify the effectiveness of this control strategy.

  6. Complex analysis of energy efficiency in operated high-rise residential building: Case study

    Directory of Open Access Journals (Sweden)

    Korniyenko Sergey

    2018-01-01

    Full Text Available Energy conservation and human thermal comfort enhancement in buildings is a topical issue of modern architecture and construction. The innovative solution of this problem makes it possible to enhance building ecological and maintenance safety, to reduce hydrocarbon fuel consumption, and to improve life standard of people. The requirements to increase of energy efficiency in buildings should be provided at all the stages of building's life cycle that is at the stage of design, construction and maintenance of buildings. The research purpose is complex analysis of energy efficiency in operated high-rise residential building. Many actions for building energy efficiency are realized according to the project; mainly it is the effective building envelope and engineering systems. Based on results of measurements the energy indicators of the building during annual period have been calculated. The main reason of increase in heat losses consists in the raised infiltration of external air in the building through a building envelope owing to the increased air permeability of windows and balcony doors (construction defects. Thermorenovation of the building based on ventilating and infiltration heat losses reduction through a building envelope allows reducing annual energy consumption. Energy efficiency assessment based on the total annual energy consumption of building, including energy indices for heating and a ventilation, hot water supply and electricity supply, in comparison with heating is more complete. The account of various components in building energy balance completely corresponds to modern direction of researches on energy conservation and thermal comfort enhancement in buildings.

  7. Complex analysis of energy efficiency in operated high-rise residential building: Case study

    Science.gov (United States)

    Korniyenko, Sergey

    2018-03-01

    Energy conservation and human thermal comfort enhancement in buildings is a topical issue of modern architecture and construction. The innovative solution of this problem makes it possible to enhance building ecological and maintenance safety, to reduce hydrocarbon fuel consumption, and to improve life standard of people. The requirements to increase of energy efficiency in buildings should be provided at all the stages of building's life cycle that is at the stage of design, construction and maintenance of buildings. The research purpose is complex analysis of energy efficiency in operated high-rise residential building. Many actions for building energy efficiency are realized according to the project; mainly it is the effective building envelope and engineering systems. Based on results of measurements the energy indicators of the building during annual period have been calculated. The main reason of increase in heat losses consists in the raised infiltration of external air in the building through a building envelope owing to the increased air permeability of windows and balcony doors (construction defects). Thermorenovation of the building based on ventilating and infiltration heat losses reduction through a building envelope allows reducing annual energy consumption. Energy efficiency assessment based on the total annual energy consumption of building, including energy indices for heating and a ventilation, hot water supply and electricity supply, in comparison with heating is more complete. The account of various components in building energy balance completely corresponds to modern direction of researches on energy conservation and thermal comfort enhancement in buildings.

  8. Perceived price complexity of dynamic energy tariffs: An investigation of antecedents and consequences

    International Nuclear Information System (INIS)

    Layer, Patrick; Feurer, Sven; Jochem, Patrick

    2017-01-01

    Dynamic tariffs have the potential to contribute to a successful shift from conventional to renewable energies, but tapping this potential in Europe ultimately depends on residential consumers selecting them. This study proposes and finds that consumer reactions to dynamic tariffs depend on the level of perceived price complexity that represents the cognitive effort consumers must engage in to compute the overall bill amount. An online experiment conducted with a representative sample of 664 German residential energy consumers examines how salient characteristics of dynamic tariffs contribute to perceived price complexity. Subsequently, a structural equation model (SEM) reveals that the depth of information processing is central to understand how price complexity relates to consumers’ behavioral intentions. The results suggest that it will be challenging to convince European consumers to select complex dynamic tariffs under the current legal framework. Policymakers will need to find ways to make these tariffs more attractive. - Highlights: • Little is known about the processes by which consumers evaluate dynamic tariffs. • In this evaluation process perceived price complexity plays a central role. • Tariff type, price endings, and discount presentation format drive price complexity. • Perceived price complexity decreases the depth of information processing. • A decreased depth of information processing ultimately leads to lower behavioral intentions.

  9. Synthesis, photoluminescence and intramolecular energy transfer model of a dysprosium complex

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Aiqin; Zhang Jiuli; Pan Qiliang; Wang Shuhua [College of Materials Science and Engineering, Taiyuan University of Technology, No. 79 West Yingze Street, Taiyuan, Shanxi 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials of Taiyuan University of Technology, Ministry of Education, Taiyuan, Shanxi 030024 (China); Jia Husheng, E-mail: Jia_Husheng@126.com [College of Materials Science and Engineering, Taiyuan University of Technology, No. 79 West Yingze Street, Taiyuan, Shanxi 030024 (China) and Key Laboratory of Interface Science and Engineering in Advanced Materials of Taiyuan University of Technology, Ministry of Education, Taiyuan, Shanxi 030024 (China); Xu Bingshe [College of Materials Science and Engineering, Taiyuan University of Technology, No. 79 West Yingze Street, Taiyuan, Shanxi 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials of Taiyuan University of Technology, Ministry of Education, Taiyuan, Shanxi 030024 (China)

    2012-04-15

    The energy of the highest occupied molecular orbital and the lowest unoccupied molecular orbital as well as their energy gaps, and the singlet and triplet state energy levels of 4-benzoylbenzoic acid (HL=4-BBA) and triphenylphosphine oxide (TPPO) were calculated with the Gaussian03 program package. The singlet state and triplet state energy levels were also estimated from the UV-vis absorption spectra and phosphorescence spectra. The results suggest that the calculated values approximately coincided with the experimental values. A Dy(III) complex was synthesized with 4-BBA as primary ligand and TPPO as neutral ligand. The structure of the complex was characterized by elemental analysis, {sup 1}H NMR spectrometry, and FTIR spectrometry. TG-DTG analysis indicates that the complex kept stable up to 305 Degree-Sign C. The photoluminescence properties were studied by fluorescence spectrometry. The results show that Dy(III) ion sensitized by 4-BBA and TPPO emitted characteristic peaks at 572 nm ({sup 4}F{sub 9/2}-{sup 6}H{sub 13/2}) and 480 nm ({sup 4}F{sub 9/2}-{sup 6}H{sub 15/2}), and its Commission Internationale de L'Eclairge coordinates were calculated as x=0.33 and y=0.38, being located in the white range. Intermolecular energy transfer process was discussed and energy transfer model was also proposed. - Highlights: Black-Right-Pointing-Pointer Quantum calculation provides theoretical method of ligand choice for rare earth. Black-Right-Pointing-Pointer The complex Dy(L){sub 3}(TPPO){sub 2} emitted white light. Black-Right-Pointing-Pointer The CIE coordinates were calculated as x=0.33 and y=0.38. Black-Right-Pointing-Pointer Energy transfer in Dy(L){sub 3}(TPPO){sub 2} followed Dexter electron exchange theory.

  10. Complex-energy approach to sum rules within nuclear density functional theory

    Science.gov (United States)

    Hinohara, Nobuo; Kortelainen, Markus; Nazarewicz, Witold; Olsen, Erik

    2015-04-01

    Background: The linear response of the nucleus to an external field contains unique information about the effective interaction, the correlations governing the behavior of the many-body system, and the properties of its excited states. To characterize the response, it is useful to use its energy-weighted moments, or sum rules. By comparing computed sum rules with experimental values, the information content of the response can be utilized in the optimization process of the nuclear Hamiltonian or the nuclear energy density functional (EDF). But the additional information comes at a price: compared to the ground state, computation of excited states is more demanding. Purpose: To establish an efficient framework to compute energy-weighted sum rules of the response that is adaptable to the optimization of the nuclear EDF and large-scale surveys of collective strength, we have developed a new technique within the complex-energy finite-amplitude method (FAM) based on the quasiparticle random-phase approximation (QRPA). Methods: To compute sum rules, we carry out contour integration of the response function in the complex-energy plane. We benchmark our results against the conventional matrix formulation of the QRPA theory, the Thouless theorem for the energy-weighted sum rule, and the dielectric theorem for the inverse-energy-weighted sum rule. Results: We derive the sum-rule expressions from the contour integration of the complex-energy FAM. We demonstrate that calculated sum-rule values agree with those obtained from the matrix formulation of the QRPA. We also discuss the applicability of both the Thouless theorem about the energy-weighted sum rule and the dielectric theorem for the inverse-energy-weighted sum rule to nuclear density functional theory in cases when the EDF is not based on a Hamiltonian. Conclusions: The proposed sum-rule technique based on the complex-energy FAM is a tool of choice when optimizing effective interactions or energy functionals. The method

  11. Complex Nanostructures from Materials based on Metal-Organic Frameworks for Electrochemical Energy Storage and Conversion.

    Science.gov (United States)

    Guan, Bu Yuan; Yu, Xin Yao; Wu, Hao Bin; Lou, Xiong Wen David

    2017-12-01

    Metal-organic frameworks (MOFs) have drawn tremendous attention because of their abundant diversity in structure and composition. Recently, there has been growing research interest in deriving advanced nanomaterials with complex architectures and tailored chemical compositions from MOF-based precursors for electrochemical energy storage and conversion. Here, a comprehensive overview of the synthesis and energy-related applications of complex nanostructures derived from MOF-based precursors is provided. After a brief summary of synthetic methods of MOF-based templates and their conversion to desirable nanostructures, delicate designs and preparation of complex architectures from MOFs or their composites are described in detail, including porous structures, single-shelled hollow structures, and multishelled hollow structures, as well as other unusual complex structures. Afterward, their applications are discussed as electrode materials or catalysts for lithium-ion batteries, hybrid supercapacitors, water-splitting devices, and fuel cells. Lastly, the research challenges and possible development directions of complex nanostructures derived from MOF-based-templates for electrochemical energy storage and conversion applications are outlined. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Long-Range Energy Propagation in Nanometer Arrays of Light Harvesting Antenna Complexes

    NARCIS (Netherlands)

    Escalantet, Maryana; Escalante Marun, M.; Lenferink, Aufrid T.M.; Zhao, Yiping; Tas, Niels Roelof; Huskens, Jurriaan; Hunter, C. Neil; Subramaniam, Vinod; Otto, Cornelis

    2010-01-01

    Here we report the first observation of long-range transport of excitation energy within a biomimetic molecular nanoarray constructed from LH2 antenna complexes from Rhodobacter sphaeroides. Fluorescence microscopy of the emission of light after local excitation with a diffraction-limited light beam

  13. Complex Systems Engineering : Designing in sociotechnical systems for the energy transition

    NARCIS (Netherlands)

    Moncada Escudero, J.A.; Nava Guerrero, G.D.C.; Park Lee, H.; Okur, Ö.; Chakraborty, S.T.; Lukszo, Z.

    2017-01-01

    The EU has set ambitious targets for an energy transition. While research often focuses on technology, institutions or actors, a transition requires complex coordination and comprehensive analysis and design. We propose a framework accounting for technology, institutions and actors' perspective

  14. Complex workplace radiation fields at European high-energy accelerators and thermonuclear fusion facilities

    CERN Document Server

    Bilski, P; D'Errico, F; Esposito, A; Fehrenbacher, G; Fernàndez, F; Fuchs, A; Golnik, N; Lacoste, V; Leuschner, A; Sandri, S; Silari, M; Spurny, F; Wiegel, B; Wright, P

    2006-01-01

    This report outlines the research needs and research activities within Europe to develop new and improved methods and techniques for the characterization of complex radiation fields at workplaces around high-energy accelerators and the next generation of thermonuclear fusion facilities under the auspices of the COordinated Network for RAdiation Dosimetry (CONRAD) project funded by the European Commission.

  15. Interaction energies and structures of the (n 1–3) complexes

    Indian Academy of Sciences (India)

    JAMAL N DAWOUD

    Lithium ion complexes; ab initio calculations; bond dissociation energy; electrostatic interaction; carbon oxide. 1. Introduction. The chemistry of alkali metal interactions with lig- ands has been the subject of considerable attention in the last twenty years. It has decisive implications in biology, chemistry and physics.1–3 The ...

  16. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-01

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  17. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

    Science.gov (United States)

    Bubin, Sergiy; Adamowicz, Ludwik

    2008-03-21

    In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

  18. Simple method for determining binding energies of fullerene and complex atomic negative ions

    Science.gov (United States)

    Felfli, Zineb; Msezane, Alfred

    2017-04-01

    A robust potential which embeds fully the vital core polarization interaction has been used in the Regge pole method to explore low-energy electron scattering from C60, Eu and Nb through the total cross sections (TCSs) calculations. From the characteristic dramatically sharp resonances in the TCSs manifesting negative ion formation in these systems, we extracted the binding energies for the C60, Euand Nbanions they are found to be in outstanding agreement with the measured electron affinities of C60, Eu and Nb. Common among these considered systems, including the standard atomic Au is the formation of their ground state negative ions at the second Ramsauer-Townsend (R-T) minima of their TCSs. Indeed, this is a signature of all the fullerenes and complex atoms considered thus far. Shape resonances, R-T minima and binding energies of the resultant anions are presented. This work was supported by U.S. DOE, Basic Energy Sciences, Office of Energy Research.

  19. Shifts in wind energy potential following land-use driven vegetation dynamics in complex terrain.

    Science.gov (United States)

    Fang, Jiannong; Peringer, Alexander; Stupariu, Mihai-Sorin; Pǎtru-Stupariu, Ileana; Buttler, Alexandre; Golay, Francois; Porté-Agel, Fernando

    2018-10-15

    Many mountainous regions with high wind energy potential are characterized by multi-scale variabilities of vegetation in both spatial and time dimensions, which strongly affect the spatial distribution of wind resource and its time evolution. To this end, we developed a coupled interdisciplinary modeling framework capable of assessing the shifts in wind energy potential following land-use driven vegetation dynamics in complex mountain terrain. It was applied to a case study area in the Romanian Carpathians. The results show that the overall shifts in wind energy potential following the changes of vegetation pattern due to different land-use policies can be dramatic. This suggests that the planning of wind energy project should be integrated with the land-use planning at a specific site to ensure that the expected energy production of the planned wind farm can be reached over its entire lifetime. Moreover, the changes in the spatial distribution of wind and turbulence under different scenarios of land-use are complex, and they must be taken into account in the micro-siting of wind turbines to maximize wind energy production and minimize fatigue loads (and associated maintenance costs). The proposed new modeling framework offers, for the first time, a powerful tool for assessing long-term variability in local wind energy potential that emerges from land-use change driven vegetation dynamics over complex terrain. Following a previously unexplored pathway of cause-effect relationships, it demonstrates a new linkage of agro- and forest policies in landscape development with an ultimate trade-off between renewable energy production and biodiversity targets. Moreover, it can be extended to study the potential effects of micro-climatic changes associated with wind farms on vegetation development (growth and patterning), which could in turn have a long-term feedback effect on wind resource distribution in mountainous regions. Copyright © 2018 Elsevier B.V. All rights

  20. Low complexity wireless sensors for power-efficient communiation and energy harvesting

    DEFF Research Database (Denmark)

    Bo, Han

    large antenna spacing and additional RF chains hinder its application to compact and battery powered devices. Wireless sensor networks are composed of such battery-powered devices, which require better energy efficiency in order to have a longer lifetime. Thus low complexity wireless sensors for power......The modern communication goes towards the direction of green, sustainable solutions; this raises many issues such as better usage of spectrum, lower system complexity, or lower energy consumption. MIMO transmission provides a promising solution with better spectral efficiency, but the required...... efficient communications are necessary. The beam space MIMO transmission approach was proposed recently for energy efficient communication; it uses only one RF chain and maps the MIMO data streams onto orthogonal basis radiation patterns. The resulting data streams appear at the receiver as originating from...

  1. Low-complex energy-aware image communication in visual sensor networks

    Science.gov (United States)

    Phamila, Yesudhas Asnath Victy; Amutha, Ramachandran

    2013-10-01

    A low-complex, low bit rate, energy-efficient image compression algorithm explicitly designed for resource-constrained visual sensor networks applied for surveillance, battle field, habitat monitoring, etc. is presented, where voluminous amount of image data has to be communicated over a bandwidth-limited wireless medium. The proposed method overcomes the energy limitation of individual nodes and is investigated in terms of image quality, entropy, processing time, overall energy consumption, and system lifetime. This algorithm is highly energy efficient and extremely fast since it applies energy-aware zonal binary discrete cosine transform (DCT) that computes only the few required significant coefficients and codes them using enhanced complementary Golomb Rice code without using any floating point operations. Experiments are performed using the Atmel Atmega128 and MSP430 processors to measure the resultant energy savings. Simulation results show that the proposed energy-aware fast zonal transform consumes only 0.3% of energy needed by conventional DCT. This algorithm consumes only 6% of energy needed by Independent JPEG Group (fast) version, and it suits for embedded systems requiring low power consumption. The proposed scheme is unique since it significantly enhances the lifetime of the camera sensor node and the network without any need for distributed processing as was traditionally required in existing algorithms.

  2. The Energy Markets' complexity and the need for a multilevel regulation

    International Nuclear Information System (INIS)

    Ferrari, G.F.

    2008-01-01

    The energy markets are very complex, because, on the one hand, they imply several different activities and, on the other hand, they involve various levels of government. The energy market is divided indeed in different segments: supply (generation or purchasing), transmission, distribution and sale, which are allocated at different levels of government, from the international and European level (with reference to the security of energy supply), to the local level (with specific regard to the distribution and sale). This complexity makes the energy sector particularly critical, under the pressure of political interests and economical needs. Another sensitive point is linked with the environmental protection, since the consumption of energy is one of the most polluting human activities, and the demand of energy is growing up together with the economical growth of the developing Countries. This problem is increasingly discussed at the international level, with reference to the climate change issue, in order to plan a sustainable development for the whole globe: because of it, the Kyoto Protocol was issued within the United Nation Framework Convention on Climate Change. It establishes legally binding commitments for the reduction of four greenhouse gases for all the 183 ratifying Countries, according the principle of common but differentiated responsibilities, and provides for the promotion of renewable energy. The European Union ratified the Protocol implementing the relative obligations through, for instance, the creation of the EU Emissions Trading Scheme (ETS). The European Union most of all addressed the competitive issue, since the 70s, in order to achieve the result to create a free energy market in Europe. The last results of the European energy policy were the directives on electricity and natural gas in 2004, that imposed the complete opening of the energy markets in almost all the European Countries (with few exceptions). The implementation of the European

  3. Energy transfer processes in Tb(III)-dibenzoylmethanate complexes with phosphine oxide ligands

    Energy Technology Data Exchange (ETDEWEB)

    Silva Junior, Francisco A.; Nascimento, Helenise A.; Pereira, Dariston K.S.; Teotonio, Ercules E.S.; Espinola, Jose Geraldo P.; Faustino, Wagner M., E-mail: teotonioees@quimica.ufpb.br [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Departamento de Quimica; Brito, Hermi F. [Universidade de Sao Paulo (USP), SP (Brazil). Instituto de Quimica. Departamento de Quimica Fundamental; Felinto, Maria Claudia F.C. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), SP (Brazil); Sa, Gilberto F. [Universidade Federal de Pernambuco (UFPE/CCEN), Recife, PE (Brazil). Centro de Ciencias Exatas e da Natureza. Departamento de Quimica Fundamental

    2013-04-15

    The Tb{sup 3+}-{beta}-diketonate complexes [Tb(DBM){sub 3}L], [Tb(DBM){sub 2}(NO{sub 3})L{sub 2}] and [Tb(DBM)(NO{sub 3}){sub 2} (HMPA){sub 2}] (DBM = dibenzoylmethanate; L: TPPO triphenylphosphine oxide or HMPA=hexamethylphosphine oxide) were prepared and characterized by elemental analysis (CHN), complexometric titration with EDTA and Fourier transform infrared (FTIR) spectroscopy, and the photoluminescence properties evaluated. The triplet state energies of the coordinated DBM ligands were determined using time-resolved phosphorescence spectra of analogous Gd{sup 3+} complexes. The results show that the energies increase along with the number of coordinated nitrate anions replacing the DBM ligand in the complexes. The luminescence spectra and emission lifetime measurements revealed that the ligand-to-metal energy transfer efficiency follows the same tendency. Unlike the tris-DBM complexes, bis- and mono-DBM presented high luminescence, and may act as promising candidates for preparation of the emitting layer of light converting molecular devices (LCMDs). (author)

  4. Energy saving analysis and management modeling based on index decomposition analysis integrated energy saving potential method: Application to complex chemical processes

    International Nuclear Information System (INIS)

    Geng, Zhiqiang; Gao, Huachao; Wang, Yanqing; Han, Yongming; Zhu, Qunxiong

    2017-01-01

    Highlights: • The integrated framework that combines IDA with energy-saving potential method is proposed. • Energy saving analysis and management framework of complex chemical processes is obtained. • This proposed method is efficient in energy optimization and carbon emissions of complex chemical processes. - Abstract: Energy saving and management of complex chemical processes play a crucial role in the sustainable development procedure. In order to analyze the effect of the technology, management level, and production structure having on energy efficiency and energy saving potential, this paper proposed a novel integrated framework that combines index decomposition analysis (IDA) with energy saving potential method. The IDA method can obtain the level of energy activity, energy hierarchy and energy intensity effectively based on data-drive to reflect the impact of energy usage. The energy saving potential method can verify the correctness of the improvement direction proposed by the IDA method. Meanwhile, energy efficiency improvement, energy consumption reduction and energy savings can be visually discovered by the proposed framework. The demonstration analysis of ethylene production has verified the practicality of the proposed method. Moreover, we can obtain the corresponding improvement for the ethylene production based on the demonstration analysis. The energy efficiency index and the energy saving potential of these worst months can be increased by 6.7% and 7.4%, respectively. And the carbon emissions can be reduced by 7.4–8.2%.

  5. Nuclear refinery - advanced energy complex for electricity generation, clean fuel production, and heat supply

    International Nuclear Information System (INIS)

    McDonald, C.F.

    1992-01-01

    In planning for increased U.S. energy users' demand after the year 2000 there are essentially four salient vectors: (1) reduced reliance on imported crude oil; (2) provide a secure supply with stable economics; (3) supply system must be in concert with improved environment goals; and (4) maximum use to be made of indigenous resources. For the last decade of this century the aforementioned will likely be met by increasing utilization of natural gas. Early in the next century, however, in the U.S. and the newly industrializing nations, the ever increasing energy demand will only be met by the combined use of uranium and coal. The proposed nuclear refinery concept is an advanced energy complex that has at its focal point an advanced modular helium reactor (MHR). This nuclear facility, together with a coal feedstock, could contribute towards meeting the needs of the four major energy sectors in the U.S., namely electricity, transportation, industrial heating and chemical feedstock, and space and water heating. Such a nuclear/coal synergistic system would be in concert with improved air quality goals. This paper discusses the major features and multifaceted operation of a nuclear refinery concept, and identifies the enabling technologies needed for such an energy complex to become a reality early in the 21st century. (Author)

  6. Application of stochastic Liouville–von Neumann equation to electronic energy transfer in FMO complex

    International Nuclear Information System (INIS)

    Imai, Hajime; Ohtsuki, Yukiyoshi; Kono, Hirohiko

    2015-01-01

    Highlights: • Stochastic Liouville–von Neumann equation is applied to energy transfer dynamics. • Noise generation methods for dealing with exciton in FMO complexes are proposed. • Structured spectral densities could better support coherent population dynamics. - Abstract: A stochastic Liouville–von Neumann approach to solving a spin-boson model is applied to electronic energy transfer in Fenna–Matthews–Olson (FMO) complexes as a case study of the dynamics in biological systems. We modify a noise generation method to treat an experimentally obtained highly structured spectral density. By considering the population dynamics in a two-site system with a model structured spectral density, we numerically observe two kinds of coherent motions associated with inter-site coupling and system–bath coupling, the latter of which is mainly attributed to the peak structure of the spectral density

  7. Iridium terpyridine complexes as functional assembling units in arrays for the conversion of light energy.

    Science.gov (United States)

    Flamigni, Lucia; Collin, Jean-Paul; Sauvage, Jean-Pierre

    2008-07-01

    In photosynthesis, sunlight energy is converted into a chemical potential by an electron transfer sequence that is started by an excited state and ultimately yields a long-lived charge-separated state. This process can be reproduced by carefully designed multicomponent artificial arrays of three or more components, and the stored energy can be used to oxidize or reduce molecules in solution, to inject electrons or holes, or to create an electron flow. Therefore, the process is important both for artificial-photosynthesis research and for photovoltaic and optoelectronic applications. Molecular arrays for photoinduced charge separation often use chromophores that resemble the natural ones. However, new synthetic components, including transition metal complexes, have had some success. This Account discusses the use of bis-terpyridine (tpy) metal complexes as assembling and functional units of such multicomponent arrays. M(tpy)2(n+) complexes have the advantage of yielding linear arrays with unambiguous geometry. Originally, Ru(tpy)2(2+) and Os(tpy)2(2+) were used as photosensitizers in triads containing typical organic donors and acceptors. However, it soon became evident that the relatively low excited state of these complexes could act as an energy drain of the excited state of the photosensitizer and, thus, seriously compete with charge separation. A new metal complex that preserved the favorable tpy geometry and yet had a higher energy level was needed. We identified Ir(tpy)2(3+), which displayed a higher energy level, a more facile reduction that favored charge separation, a longer excited-state lifetime, and strong spectroscopic features that were useful for the identification of intermediates. Ir(tpy)2(3+) was used in arrays with electron-donating gold porphyrin and electron-accepting free-base porphyrins. A judicious change of the free-base porphyrin photosensitizer with zinc porphyrin allowed us to shape the photoreactivity and led to charge separation with

  8. Possibilities for a geothermal energy and mineral industrial complex in the Salton Sea area

    Energy Technology Data Exchange (ETDEWEB)

    Hornburg, C.D.; Meriwether, J.

    1977-11-16

    The overall development of the Salton Sea KGRA by developing industrial complexes is discussed. These would make maximum utiliztion of the total resource by on-site utilization of extracted energy and minerals; and upgrading these minerals via industrial processes to higher value products. A typical analysis of Salton Sea brine and an estimation of amounts and values of some materials that may be extracted from Salton Sea brines are presented. (MHR)

  9. Free Energy Rate Density and Self-organization in Complex Systems

    OpenAIRE

    Georgiev, Georgi Yordanov; Gombos, Erin; Bates, Timothy; Henry, Kaitlin; Casey, Alexander; Daly, Michael

    2015-01-01

    One of the most important tasks in science is to understand the self-organization's arrow of time. To attempt this we utilize the connection between self-organization and non-equilibrium thermodynamics. Eric Chaisson calculated an exponential increase of Free Energy Rate Density (FERD) in Cosmic Evolution, from the Big Bang until now, paralleling the increase of system's structure. We term these studies "Devology". We connect FERD to the principle of least action for complex systems, driving ...

  10. Machine-Building for Fuel and Energy Complex: Perspective Forms of Interaction

    Science.gov (United States)

    Nikitenko, S. M.; Goosen, E. V.; Pakhomova, E. A.; Rozhkova, O. V.; Mesyats, M. A.

    2017-10-01

    The article is devoted to the study of the existing forms of cooperation between the authorities, business and science in the fuel and energy complex and the machine-building industry at the regional level. The possibilities of applying the concept of the “triple helix” and its multi-helix modifications for the implementation of the import substitution program for high- tech products have been considered.

  11. Disruption of the Class IIa HDAC Corepressor Complex Increases Energy Expenditure and Lipid Oxidation

    Directory of Open Access Journals (Sweden)

    Vidhi Gaur

    2016-09-01

    Full Text Available Drugs that recapitulate aspects of the exercise adaptive response have the potential to provide better treatment for diseases associated with physical inactivity. We previously observed reduced skeletal muscle class IIa HDAC (histone deacetylase transcriptional repressive activity during exercise. Here, we find that exercise-like adaptations are induced by skeletal muscle expression of class IIa HDAC mutants that cannot form a corepressor complex. Adaptations include increased metabolic gene expression, mitochondrial capacity, and lipid oxidation. An existing HDAC inhibitor, Scriptaid, had similar phenotypic effects through disruption of the class IIa HDAC corepressor complex. Acute Scriptaid administration to mice increased the expression of metabolic genes, which required an intact class IIa HDAC corepressor complex. Chronic Scriptaid administration increased exercise capacity, whole-body energy expenditure and lipid oxidation, and reduced fasting blood lipids and glucose. Therefore, compounds that disrupt class IIa HDAC function could be used to enhance metabolic health in chronic diseases driven by physical inactivity.

  12. DYNECHARM++: a toolkit to simulate coherent interactions of high-energy charged particles in complex structures

    Science.gov (United States)

    Bagli, Enrico; Guidi, Vincenzo

    2013-08-01

    A toolkit for the simulation of coherent interactions between high-energy charged particles and complex crystal structures, called DYNECHARM++ has been developed. The code has been written in C++ language taking advantage of this object-oriented programing method. The code is capable to evaluating the electrical characteristics of complex atomic structures and to simulate and track the particle trajectory within them. Calculation method of electrical characteristics based on their expansion in Fourier series has been adopted. Two different approaches to simulate the interaction have been adopted, relying on the full integration of particle trajectories under the continuum potential approximation and on the definition of cross-sections of coherent processes. Finally, the code has proved to reproduce experimental results and to simulate interaction of charged particles with complex structures.

  13. Direct Observation of Energy Detrapping in LH1-RC Complex by Two-Dimensional Electronic Spectroscopy.

    Science.gov (United States)

    Ma, Fei; Yu, Long-Jiang; Hendrikx, Ruud; Wang-Otomo, Zheng-Yu; van Grondelle, Rienk

    2017-01-18

    The purple bacterial core light harvesting antenna-reaction center (LH1-RC) complex is the simplest system able to achieve the entire primary function of photosynthesis. During the past decade, a variety of photosynthetic proteins were studied by a powerful technique, two-dimensional electronic spectroscopy (2DES). However, little attention has been paid to LH1-RC, although its reversible uphill energy transfer, trapping, and backward detrapping processes, represent a crucial step in the early photosynthetic reaction dynamics. Thus, in this work, we employed 2DES to study two LH1-RC complexes of Thermochromatium (Tch.) tepidum. By direct observation of detrapping, the complex reversible process was clearly identified and an overall scheme of the excitation evolution in LH1-RC was obtained.

  14. Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

    Directory of Open Access Journals (Sweden)

    Bodee Nutho

    2014-11-01

    Full Text Available In the present study, our aim is to investigate the preferential binding mode and encapsulation of the flavonoid fisetin in the nano-pore of β-cyclodextrin (β-CD at the molecular level using various theoretical approaches: molecular docking, molecular dynamics (MD simulations and binding free energy calculations. The molecular docking suggested four possible fisetin orientations in the cavity through its chromone or phenyl ring with two different geometries of fisetin due to the rotatable bond between the two rings. From the multiple MD results, the phenyl ring of fisetin favours its inclusion into the β-CD cavity, whilst less binding or even unbinding preference was observed in the complexes where the larger chromone ring is located in the cavity. All MM- and QM-PBSA/GBSA free energy predictions supported the more stable fisetin/β-CD complex of the bound phenyl ring. Van der Waals interaction is the key force in forming the complexes. In addition, the quantum mechanics calculations with M06-2X/6-31G(d,p clearly showed that both solvation effect and BSSE correction cannot be neglected for the energy determination of the chosen system.

  15. Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

    International Nuclear Information System (INIS)

    Mrugalla, Florian; Kast, Stefan M

    2016-01-01

    Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute–solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute–solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems. (paper)

  16. Mechanisms of energy transfer and conversion in plant Light-Harvesting Complex II

    Energy Technology Data Exchange (ETDEWEB)

    Barros, Tiago Ferreira de

    2009-09-24

    The light-harvesting complex of photosystem II (LHC-II) is the major antenna complex in plant photosynthesis. It accounts for roughly 30% of the total protein in plant chloroplasts, which makes it arguably the most abundant membrane protein on Earth, and binds about half of plant chlorophyll (Chl). The complex assembles as a trimer in the thylakoid membrane and binds a total of 54 pigment molecules, including 24 Chl a, 18 Chl b, 6 lutein (Lut), 3 neoxanthin (Neo) and 3 violaxanthin (Vio). LHC-II has five key roles in plant photosynthesis. It: (1) harvests sunlight and transmits excitation energy to the reaction centres of photosystems II and I, (2) regulates the amount of excitation energy reaching each of the two photosystems, (3) has a structural role in the architecture of the photosynthetic supercomplexes, (4) contributes to the tight appression of thylakoid membranes in chloroplast grana, and (5) protects the photosynthetic apparatus from photo damage by non photochemical quenching (NPQ). A major fraction of NPQ is accounted for its energy-dependent component qE. Despite being critical for plant survival and having been studied for decades, the exact details of how excess absorbed light energy is dissipated under qE conditions remain enigmatic. Today it is accepted that qE is regulated by the magnitude of the pH gradient ({delta}pH) across the thylakoid membrane. It is also well documented that the drop in pH in the thylakoid lumen during high-light conditions activates the enzyme violaxanthin de-epoxidase (VDE), which converts the carotenoid Vio into zeaxanthin (Zea) as part of the xanthophyll cycle. Additionally, studies with Arabidopsis mutants revealed that the photosystem II subunit PsbS is necessary for qE. How these physiological responses switch LHC-II from the active, energy transmitting to the quenched, energy-dissipating state, in which the solar energy is not transmitted to the photosystems but instead dissipated as heat, remains unclear and is the

  17. Development of an integrated energy benchmark for a multi-family housing complex using district heating

    International Nuclear Information System (INIS)

    Jeong, Jaewook; Hong, Taehoon; Ji, Changyoon; Kim, Jimin; Lee, Minhyun; Jeong, Kwangbok

    2016-01-01

    Highlights: • The energy benchmarks for MFHC using district heating were developed. • We consider heating, hot water, electricity, and water energy consumption. • The benchmarks cover the site EUI, source EUI, and CO_2 emission intensity. • The benchmarks were developed through data mining and statistical methodologies. • The developed benchmarks provide fair criteria to evaluate energy efficiency. - Abstract: The reliable benchmarks are required to evaluate building energy efficiency fairly. This study aims to develop the energy benchmarks and relevant process for a multi-family housing complex (MFHC), which is responsible for huge CO_2 emissions in South Korea. A database, including the information on building attributes and energy consumption of 503 MFHCs, was established. The database was classified into three groups based on average enclosed area per household (AEA) through data mining techniques. The benchmarks of site energy use intensity (EUI), source EUI, and CO_2 emission intensity (CEI) were developed from Groups 1, 2, and 3. Representatively, the developed benchmarks of CEI for Groups 1, 2, and 3 were 28.17, 24.16, and 20.96 kg-CO_2/m"2 y, respectively. A comparative analysis using the operational rating identified that the developed benchmarks could solve the irrationality of the original benchmarks from overall database. In the case of the original benchmarks, 93% of small-AEA-groups and 16% of large-AEA-groups received lower grades. In the case of the developed benchmark, the upper and lower grades in Groups 1–3 were both adjusted to 50%. The proposed process for developing energy benchmark is applicable to evaluate the energy efficiency of other buildings, in other regions.

  18. Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation.

    Science.gov (United States)

    Iida, Shinji; Nakamura, Haruki; Higo, Junichi

    2016-06-15

    We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein-protein or protein-ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, where the biomolecules are treated as flexible molecules expressed by an all-atom model in an explicit solvent. Sampling produces an ensemble of conformations (snapshots) that are thermodynamically probable at room temperature. Then, projection of those conformations to an abstract low-dimensional space generates a free-energy landscape. As an example, we show a landscape of homo-dimer formation of an endothelin-1-like molecule computed using a generalized ensemble method. The lowest free-energy cluster at room temperature coincided precisely with the experimentally determined complex structure. Two minor clusters were also found in the landscape, which were largely different from the native complex form. Although those clusters were isolated at room temperature, with rising temperature a pathway emerged linking the lowest and second-lowest free-energy clusters, and a further temperature increment connected all the clusters. This exemplifies that the generalized ensemble method is a powerful tool for computing the free-energy landscape, by which one can discuss the thermodynamic stability of clusters and the temperature dependence of the cluster networks. © 2016 The Author(s).

  19. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films.

    Science.gov (United States)

    Kim, Tae Heon; Yoon, Jong-Gul; Baek, Seung Hyub; Park, Woong-kyu; Yang, Sang Mo; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Noh, Tae Won

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  20. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films

    Science.gov (United States)

    Heon Kim, Tae; Yoon, Jong-Gul; Hyub Baek, Seung; Park, Woong-Kyu; Mo Yang, Sang; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Won Noh, Tae

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  1. A critical inquiry into the objection of Moeller to his energy-momentum complex

    International Nuclear Information System (INIS)

    Kovacs, D.

    1985-01-01

    In the year 1958 Mueller derived an energy-momentum complex to attain the localizability of the energy in gravitational fields. However, three years later after extensive investigations he himself raised an objection to his expression showing that the corresponding energy-momentum vector of a closed physical system does not transform like a free 4-vector with respect to a Lorentz transformation. An inquiry into the objection of Mueller is carried through at full length. Surprisingly it turns out that the equation on which he based his objection originates from a misinterpretation. Moreover, the argument given by him to explain the alleged failure of his expression proves to be incomplete. Complementing the argument, the objection of Mueller is no longer tenable. (author)

  2. A Reflection on Low Energy Renovation of Residential Complexes in Southern Europe

    Directory of Open Access Journals (Sweden)

    Helena Corvacho

    2016-09-01

    Full Text Available The transformation of European existing building stock towards very low energy buildings requires a new approach. In this context, it seems reasonable to think that buildings should no longer be renovated individually but as part of a global energy system. Focusing on larger urban units may present some scale advantages and may constitute an opportunity to change the urban environment in a smart energy way. Specificities of Southern European countries are addressed. Due either to the climate or the life style, there are large differences in energy consumption per dwelling among southern and northern European countries. How much heating energy will be saved by over-insulating building envelopes if people do not feel the need to heat their houses in the first place? In addition, real energy use in buildings frequently shows major differences with respect to the predicted consumption. The definition of realistic solutions demands the availability of realistic predictions. A case of a residential complex in Portugal is used to illustrate the main questions and to conclude that moving from a building to a group of buildings scale may be an interesting challenge for policy makers to look closer in the near future.

  3. Heterologous Production of an Energy-Conserving Carbon Monoxide Dehydrogenase Complex in the Hyperthermophile Pyrococcus furiosus

    Directory of Open Access Journals (Sweden)

    Gerrit Jan Schut

    2016-01-01

    Full Text Available Carbon monoxide (CO is an important intermediate in anaerobic carbon fixation pathways in acetogenesis and methanogenesis. In addition, some anaerobes can utilize CO as an energy source. In the hyperthermophilic archaeon Thermococcus onnurineus, which grows optimally at 80°C, CO oxidation and energy conservation is accomplished by a respiratory complex encoded by a 16-gene cluster containing a carbon monoxide dehydrogenase, a membrane-bound [NiFe]-hydrogenase and a Na+/H+ antiporter module. This complex oxidizes CO, evolves CO2 and H2, and generates a Na+ motive force that is used to conserve energy by a Na+-dependent ATP synthase. Herein we used a bacterial artificial chromosome to insert the 13.2 kb gene cluster encoding the CO-oxidizing respiratory complex of T. onnurineus into the genome of the heterotrophic archaeon, Pyrococcus furiosus, which grows optimally at 100°C. P. furiosus is normally unable to utilize CO, however, the recombinant strain readily oxidized CO and generated H2 at 80°C. Moreover, CO also served as an energy source and allowed the P. furiosus strain to grow with a limiting concentration of sugar or with peptides as the carbon source. Moreover, CO oxidation by P. furiosus was also coupled to the re-utilization, presumably for biosynthesis, of acetate generated by fermentation. The functional transfer of CO utilization between Thermococcus and Pyrococcus species demonstrated herein is representative of the horizontal gene transfer of an environmentally-relevant metabolic capability. The transfer of CO utilizing, hydrogen-producing genetic modules also has applications for biohydrogen production and a CO-based industrial platform for various thermophilic organisms.

  4. Assessing and managing health and environmental risks from energy and other complex industrial systems

    International Nuclear Information System (INIS)

    1988-03-01

    There is a growing awareness that it is necessary to identify, assess, and manage the risks of energy and other complex industrial activities in order to minimize their potential to harm public health and the environment. Therefore, quantitative risk analysis with emphasis on risk management has become an important aspect in high level decision making for regulation in developed and developing countries. The International Atomic Energy Agency (IAEA), the United Nations Environment Programme (UNEP) and the World Health Organization (WHO) have initiated a project to promote the use of risk assessment and risk management in environmental health and safety decision making throughout the world. A meeting was held in Paris, France on October 13-17, 1986. The purpose of the meeting was to: a) Discuss the state of the art of national and international experience in conducting case studies in the field of assessing and managing industrial risks from energy and other complex industrial systems either at the plant level or in highly industrialized areas within a country; b) Present and discuss planned regional risk management case studies within a country or international research projects on risk management to be implemented in the future; and c) Review the Project Document on ''Assessing, Controlling, and Managing Health and Environmental Risks from Energy and Other Complex Industrial Systems''. The full texts, together with abstracts, of the papers given at the meeting are presented. The summary reviews briefly some of the major points that arose in papers or in the ensuing discussions. Where a consensus view resulted, conclusions were drawn. Major differences of opinion are also noted

  5. The Alternative complex III: properties and possible mechanisms for electron transfer and energy conservation.

    Science.gov (United States)

    Refojo, Patrícia N; Teixeira, Miguel; Pereira, Manuela M

    2012-10-01

    Alternative complexes III (ACIII) are recently identified membrane-bound enzymes that replace functionally the cytochrome bc(1/)b(6)f complexes. In general, ACIII are composed of four transmembrane proteins and three peripheral subunits that contain iron-sulfur centers and C-type hemes. ACIII are built by a combination of modules present in different enzyme families, namely the complex iron-sulfur molybdenum containing enzymes. In this article a historical perspective on the investigation of ACIII is presented, followed by an overview of the present knowledge on these enzymes. Electron transfer pathways within the protein are discussed taking into account possible different locations (cytoplasmatic or periplasmatic) of the iron-sulfur containing protein and their contribution to energy conservation. In this way several hypotheses for energy conservation modes are raised including linear and bifurcating electron transfer pathways. This article is part of a Special Issue entitled: 17th European Bioenergetics Conference (EBEC 2012). Copyright © 2012 Elsevier B.V. All rights reserved.

  6. Complex thermal energy conversion systems for efficient use of locally available biomass

    International Nuclear Information System (INIS)

    Kalina, Jacek

    2016-01-01

    This paper is focused on a theoretical study in search for new technological solutions in the field of electricity generation from biomass in small-scale distributed cogeneration systems. The purpose of this work is to draw readers' attention to possibilities of design complex multi-component hybrid and combined technological structures of energy conversion plants for effective use of locally available biomass resources. As an example, there is presented analysis of cogeneration system that consists of micro-turbine, high temperature fuel cell, inverted Bryton cycle module and biomass gasification island. The project assumes supporting use of natural gas and cooperation of the plant with a low-temperature district heating network. Thermodynamic parameters, energy conversion effectiveness and economic performance are examined. Results show relatively high energy conversion performance and on the other hand weak financial indices of investment projects at the current level of energy prices. It is however possible under certain conditions to define an optimistic business model that leads to a feasible project. - Highlights: • Concept of biomass energy conversion plant is proposed and theoretically analysed. • MCFC type fuel cell is fuelled with biomass gasification gas. • Natural gas fired microturbine is considered as a source of continuous power. • Inverted Bryton Cycle is considered for utilisation of high temperature exhaust gas.

  7. Is there a temperature? conceptual challenges at high energy, acceleration and complexity

    CERN Document Server

    Sándor Biró, Tamás

    2011-01-01

    Physical bodies can be hot or cold, moving or standing,simple or complex. In all such cases one assumes that their respective temperature is a well defined attribute.  What if, however, the ordinary measurement of temperature by direct body contact is not possible?  One conjectures its value, and yes, its very existence, by reasoning based on basic principles of thermodynamics. Is There a Temperature?  Conceptual Challenges at High Energy, Acceleration and Complexity, by Dr. Tamás Sándor Bíró, begins by asking the questions “Do we understand and can we explain in a unified framework the temperature of distant radiation sources, including event horizons, and that of the quark matter produced in high energy accelerator experiments? Or the astounding fluctuations on financial markets?” The book reviews the concept of temperature from its beginnings through the evolution of classical thermodynamics and atomic statistical physics through contemporary models of high energy particle matter.  Based on the...

  8. Beam model for seismic analysis of complex shear wall structure based on the strain energy equivalence

    International Nuclear Information System (INIS)

    Reddy, G.R.; Mahajan, S.C.; Suzuki, Kohei

    1997-01-01

    A nuclear reactor building structure consists of shear walls with complex geometry, beams and columns. The complexity of the structure is explained in the section Introduction. Seismic analysis of the complex reactor building structure using the continuum mechanics approach may produce good results but this method is very difficult to apply. Hence, the finite element approach is found to be an useful technique for solving the dynamic equations of the reactor building structure. In this approach, the model which uses finite elements such as brick, plate and shell elements may produce accurate results. However, this model also poses some difficulties which are explained in the section Modeling Techniques. Therefore, seismic analysis of complex structures is generally carried out using a lumped mass beam model. This model is preferred because of its simplicity and economy. Nevertheless, mathematical modeling of a shear wall structure as a beam requires specialized skill and a thorough understanding of the structure. For accurate seismic analysis, it is necessary to model more realistically the stiffness, mass and damping. In linear seismic analysis, modeling of the mass and damping may pose few problems compared to modeling the stiffness. When used to represent a complex structure, the stiffness of the beam is directly related to the shear wall section properties such as area, shear area and moment of inertia. Various beam models which are classified based on the method of stiffness evaluation are also explained under the section Modeling Techniques. In the section Case Studies the accuracy and simplicity of the beam models are explained. Among various beam models, the one which evaluates the stiffness using strain energy equivalence proves to be the simplest and most accurate method for modeling the complex shear wall structure. (author)

  9. Model of complex integrated use of alternative energy sources for highly urbanized areas

    Directory of Open Access Journals (Sweden)

    Ivanova Elena Ivanovna

    2014-04-01

    Full Text Available The increase of population and continuous development of highly urbanized territories poses new challenges to experts in the field of energy saving technologies. Only a multifunctional and autonomous system of building engineering equipment formed by the principles of energy efficiency and cost-effectiveness meets the needs of modern urban environment. Alternative energy sources, exploiting the principle of converting thermal energy into electrical power, show lack of efficiency, so it appears to be necessary for reaching a visible progress to skip this middle step. A fuel cell, converting chemical energy straight into electricity, and offering a vast diversity of both fuel types and oxidizing agents, gives a strong base for designing a complex integrated system. Regarding the results of analysis and comparison conducted among the most types of fuel cells proposed by contemporary scholars, a solid oxide fuel cell (SOFC is approved to be able to ensure the smooth operation of such a system. While the advantages of this device meet the requirements of engineering equipment for modern civil and, especially, dwelling architecture, its drawbacks do not contradict with the operating regime of the proposed system. The article introduces a model of a multifunctional system based on solid oxide fuel cell (SOFC and not only covering the energy demand of a particular building, but also providing the opportunity for proper and economical operation of several additional sub-systems. Air heating and water cooling equipment, ventilating and conditioning devices, the circle of water supply and preparation of water discharge for external use (e.g. agricultural needs included into a closed circuit of the integrated system allow evaluating it as a promising model of further implementation of energy saving technologies into architectural and building practice. This, consequently, will positively affect both ecological and economic development of urban environment.

  10. Computational issues in complex water-energy optimization problems: Time scales, parameterizations, objectives and algorithms

    Science.gov (United States)

    Efstratiadis, Andreas; Tsoukalas, Ioannis; Kossieris, Panayiotis; Karavokiros, George; Christofides, Antonis; Siskos, Alexandros; Mamassis, Nikos; Koutsoyiannis, Demetris

    2015-04-01

    Modelling of large-scale hybrid renewable energy systems (HRES) is a challenging task, for which several open computational issues exist. HRES comprise typical components of hydrosystems (reservoirs, boreholes, conveyance networks, hydropower stations, pumps, water demand nodes, etc.), which are dynamically linked with renewables (e.g., wind turbines, solar parks) and energy demand nodes. In such systems, apart from the well-known shortcomings of water resources modelling (nonlinear dynamics, unknown future inflows, large number of variables and constraints, conflicting criteria, etc.), additional complexities and uncertainties arise due to the introduction of energy components and associated fluxes. A major difficulty is the need for coupling two different temporal scales, given that in hydrosystem modeling, monthly simulation steps are typically adopted, yet for a faithful representation of the energy balance (i.e. energy production vs. demand) a much finer resolution (e.g. hourly) is required. Another drawback is the increase of control variables, constraints and objectives, due to the simultaneous modelling of the two parallel fluxes (i.e. water and energy) and their interactions. Finally, since the driving hydrometeorological processes of the integrated system are inherently uncertain, it is often essential to use synthetically generated input time series of large length, in order to assess the system performance in terms of reliability and risk, with satisfactory accuracy. To address these issues, we propose an effective and efficient modeling framework, key objectives of which are: (a) the substantial reduction of control variables, through parsimonious yet consistent parameterizations; (b) the substantial decrease of computational burden of simulation, by linearizing the combined water and energy allocation problem of each individual time step, and solve each local sub-problem through very fast linear network programming algorithms, and (c) the substantial

  11. Environmental Restoration and Waste Management manpower needs assessment: US Department of Energy complex

    Energy Technology Data Exchange (ETDEWEB)

    Holmes, C.W.; Lewis, R.E.; Hunt, S.T. (Pacific Northwest Lab., Richland, WA (United States)); Finn, M.G. (Oak Ridge Associated Universities, Inc., TN (United States))

    1992-06-01

    A study was conducted Pacific Northwest Laboratory and Oak Ridge Associated Universities, Inc. to assess the supply and demand for 53 scientific, engineering, and technical occupations relevant to the US Department of Energy's (DOE's) Office of Environmental Restoration and Waste management (EM). These assessments were made by examining budget projections and the input of program/project and human resources managers throughout the DOE complex. Quantitative projections of full-time equivalent employees slots for each occupation have been developed for the 1993--1997 time frame. Qualitative assessments of the factors that affect recruitment, staffing, and retention are also reported. The implications of the study are discussed within the likely skills mix of the future workforce and the education and organization interventions most likely to address the needs of the DOE complex.

  12. Complex energy eigenstates in a model with two equal mass particles

    Energy Technology Data Exchange (ETDEWEB)

    Gleiser, R J; Reula, D A; Moreschi, O M [Universidad Nacional de Cordoba (Argentina). Inst. de Matematica, Astronomia y Fisica

    1980-09-01

    The properties of a simples quantum mechanical model for the decay of two equal mass particles are studied and related to some recent work on complex energy eigenvalues. It consists essentially in a generalization of the Lee-Friedrichs model for an unstable particle and gives a highly idealized version of the K/sup 0/-anti K/sup 0/ system, including CP violations. The model is completely solvable, thus allowing a comparison with the well known Weisskopf-Wigner formalism for the decay amplitudes. A different model, describing the same system is also briefly outlined.

  13. Shielding considerations for an electron linear accelerator complex for high energy physics and photonics research

    International Nuclear Information System (INIS)

    Holmes, J.A.; Huntzinger, C.J.

    1987-01-01

    Radiation shielding considerations for a major high-energy physics and photonics research complex which comprise a 50 MeV electron linear accelerator injector, a 1.0 GeV electron linear accelerator and a 1.3 GeV storage ring are discussed. The facilities will be unique because of the close proximity of personnel to the accelerator beam lines, the need to adapt existing facilities and shielding materials and the application of strict ALARA dose guidelines while providing maximum access and flexibility during a phased construction program

  14. Discomfort glare with complex fenestration systems and the impact on energy use when using daylighting control

    Energy Technology Data Exchange (ETDEWEB)

    Hoffmann, Sabine; McNeil, Andrew; Lee, Eleanor S.; Kalyanam, Raghuram

    2015-11-03

    Glare is a frequent issue in highly glazed buildings. A modelling approach is presented that uses discomfort glare probability and discomfort glare index as metrics to determine occupants’ behaviour. A glare control algorithm that actuated an interior shade for glare protection based on the predicted perception was implemented in a building simulation program. A reference case with a state-of-the-art base glazing was compared to the same glazing but with five different complex fenestration systems, i.e., exterior shades. The windows with exterior shades showed significant variations in glare frequencies. Energy use intensity in a prototypical office building with daylighting controls was greatly influenced for the systems with frequent glare occurrence. While the base glazing could benefit from glare control, some of the exterior shades showed significantly greater energy use when discomfort glare-based operation of interior shades was considered.

  15. Dark fluid: A complex scalar field to unify dark energy and dark matter

    International Nuclear Information System (INIS)

    Arbey, Alexandre

    2006-01-01

    In this article, we examine a model which proposes a common explanation for the presence of additional attractive gravitational effects - generally considered to be due to dark matter - in galaxies and in clusters, and for the presence of a repulsive effect at cosmological scales - generally taken as an indication of the presence of dark energy. We therefore consider the behavior of a so-called dark fluid based on a complex scalar field with a conserved U(1)-charge and associated to a specific potential, and show that it can at the same time account for dark matter in galaxies and in clusters, and agree with the cosmological observations and constraints on dark energy and dark matter

  16. A complex systems approach to planning, optimization and decision making for energy networks

    International Nuclear Information System (INIS)

    Beck, Jessica; Kempener, Ruud; Cohen, Brett; Petrie, Jim

    2008-01-01

    This paper explores a new approach to planning and optimization of energy networks, using a mix of global optimization and agent-based modeling tools. This approach takes account of techno-economic, environmental and social criteria, and engages explicitly with inherent network complexity in terms of the autonomous decision-making capability of individual agents within the network, who may choose not to act as economic rationalists. This is an important consideration from the standpoint of meeting sustainable development goals. The approach attempts to set targets for energy planning, by determining preferred network development pathways through multi-objective optimization. The viability of such plans is then explored through agent-based models. The combined approach is demonstrated for a case study of regional electricity generation in South Africa, with biomass as feedstock

  17. Coupling Visualization, Simulation, and Deep Learning for Ensemble Steering of Complex Energy Models: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Potter, Kristin C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Brunhart-Lupo, Nicholas J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Bush, Brian W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Gruchalla, Kenny M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Bugbee, Bruce [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Krishnan, Venkat K [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2017-10-09

    We have developed a framework for the exploration, design, and planning of energy systems that combines interactive visualization with machine-learning based approximations of simulations through a general purpose dataflow API. Our system provides a visual inter- face allowing users to explore an ensemble of energy simulations representing a subset of the complex input parameter space, and spawn new simulations to 'fill in' input regions corresponding to new enegery system scenarios. Unfortunately, many energy simula- tions are far too slow to provide interactive responses. To support interactive feedback, we are developing reduced-form models via machine learning techniques, which provide statistically sound esti- mates of the full simulations at a fraction of the computational cost and which are used as proxies for the full-form models. Fast com- putation and an agile dataflow enhance the engagement with energy simulations, and allow researchers to better allocate computational resources to capture informative relationships within the system and provide a low-cost method for validating and quality-checking large-scale modeling efforts.

  18. An Optimization Framework for Investment Evaluation of Complex Renewable Energy Systems

    Directory of Open Access Journals (Sweden)

    David Olave-Rojas

    2017-07-01

    Full Text Available Enhancing the role of renewable energies in existing power systems is one of the most crucial challenges that society faces today. However, the high variability of their generation potential and the temporal disparity between the demand and the generation potential represent technological and operational gaps that burden the massive incorporation of renewable sources into power systems. Energy storage technologies are an alternative to tackle this gap; nonetheless, their incorporation within large-scale power grids calls for decision-making tools that ensure an appropriate design and sizing of power systems that exploit the benefits of incorporating storage facilities along with renewable generation power. In this paper, we present an optimization framework for aiding the evaluation of the strategic design of complex renewable power systems. The developed tool relies on an optimization problem, the generation, transmission, storage energy location and sizing problem, which allows one to compute economically-attractive investment plans given by the location and sizing of generation and storage energy systems, along with the corresponding layout of transmission lines. Results on a real case study (located in the central region of Chile, characterized by carefully-curated data, show the potential of the developed tool for aiding long-term investment planning.

  19. Analysis of a fuel cell on-site integrated energy system for a residential complex

    Science.gov (United States)

    Simons, S. N.; Maag, W. L.

    1979-01-01

    The energy use and costs of the on-site integrated energy system (OS/IES) which provides electric power from an on-site power plant and recovers heat that would normally be rejected to the environment is compared to a conventional system purchasing electricity from a utility and a phosphoric acid fuel cell powered system. The analysis showed that for a 500-unit apartment complex a fuel OS/IES would be about 10% more energy conservative in terms of total coal consumption than a diesel OS/IES system or a conventional system. The fuel cell OS/IES capital costs could be 30 to 55% greater than the diesel OS/IES capital costs for the same life cycle costs. The life cycle cost of a fuel cell OS/IES would be lower than that for a conventional system as long as the cost of electricity is greater than $0.05 to $0.065/kWh. An analysis of several parametric combinations of fuel cell power plant and state-of-art energy recovery systems and annual fuel requirement calculations for four locations were made. It was shown that OS/IES component choices are a major factor in fuel consumption, with the least efficient system using 25% more fuel than the most efficient. Central air conditioning and heat pumps result in minimum fuel consumption while individual air conditioning units increase it, and in general the fuel cell of highest electrical efficiency has the lowest fuel consumption.

  20. Reduced-order modeling of piezoelectric energy harvesters with nonlinear circuits under complex conditions

    Science.gov (United States)

    Xiang, Hong-Jun; Zhang, Zhi-Wei; Shi, Zhi-Fei; Li, Hong

    2018-04-01

    A fully coupled modeling approach is developed for piezoelectric energy harvesters in this work based on the use of available robust finite element packages and efficient reducing order modeling techniques. At first, the harvester is modeled using finite element packages. The dynamic equilibrium equations of harvesters are rebuilt by extracting system matrices from the finite element model using built-in commands without any additional tools. A Krylov subspace-based scheme is then applied to obtain a reduced-order model for improving simulation efficiency but preserving the key features of harvesters. Co-simulation of the reduced-order model with nonlinear energy harvesting circuits is achieved in a system level. Several examples in both cases of harmonic response and transient response analysis are conducted to validate the present approach. The proposed approach allows to improve the simulation efficiency by several orders of magnitude. Moreover, the parameters used in the equivalent circuit model can be conveniently obtained by the proposed eigenvector-based model order reduction technique. More importantly, this work establishes a methodology for modeling of piezoelectric energy harvesters with any complicated mechanical geometries and nonlinear circuits. The input load may be more complex also. The method can be employed by harvester designers to optimal mechanical structures or by circuit designers to develop novel energy harvesting circuits.

  1. Energy and environment efficiency analysis based on an improved environment DEA cross-model: Case study of complex chemical processes

    International Nuclear Information System (INIS)

    Geng, ZhiQiang; Dong, JunGen; Han, YongMing; Zhu, QunXiong

    2017-01-01

    Highlights: •An improved environment DEA cross-model method is proposed. •Energy and environment efficiency analysis framework of complex chemical processes is obtained. •This proposed method is efficient in energy-saving and emission reduction of complex chemical processes. -- Abstract: The complex chemical process is a high pollution and high energy consumption industrial process. Therefore, it is very important to analyze and evaluate the energy and environment efficiency of the complex chemical process. Data Envelopment Analysis (DEA) is used to evaluate the relative effectiveness of decision-making units (DMUs). However, the traditional DEA method usually cannot genuinely distinguish the effective and inefficient DMU due to its extreme or unreasonable weight distribution of input and output variables. Therefore, this paper proposes an energy and environment efficiency analysis method based on an improved environment DEA cross-model (DEACM) method. The inputs of the complex chemical process are divided into energy and non-energy inputs. Meanwhile, the outputs are divided into desirable and undesirable outputs. And then the energy and environment performance index (EEPI) based on the cross evaluation is used to represent the overall performance of each DMU. Moreover, the improvement direction of energy-saving and carbon emission reduction of each inefficiency DMU is quantitatively obtained based on the self-evaluation model of the improved environment DEACM. The results show that the improved environment DEACM method has a better effective discrimination than the original DEA method by analyzing the energy and environment efficiency of the ethylene production process in complex chemical processes, and it can obtain the potential of energy-saving and carbon emission reduction of ethylene plants, especially the improvement direction of inefficient DMUs to improve energy efficiency and reduce carbon emission.

  2. Methodical Approaches To Analysis And Forecasting Of Development Fuel And Energy Complex And Gas Industry In The Region

    Directory of Open Access Journals (Sweden)

    Vladimir Andreyevich Tsybatov

    2014-12-01

    Full Text Available Fuel and energy complex (FEC is one of the main elements of the economy of any territory over which intertwine the interests of all economic entities. To ensure economic growth of the region should ensure that internal balance of energy resources, which should be developed with account of regional specifics of economic growth and energy security. The study examined the status of this equilibrium, indicating fuel and energy balance of the region (TEB. The aim of the research is the development of the fuel and energy balance, which will allow to determine exactly how many and what resources are not enough to ensure the regional development strategy and what resources need to be brought in. In the energy balances as the focus of displays all issues of regional development, so thermopile is necessary as a mechanism of analysis of current issues, economic development, and in the forward-looking version — as a tool future vision for the fuel and energy complex, energy threats and ways of overcoming them. The variety of relationships in the energy sector with other sectors and aspects of society lead to the fact that the development of the fuel and energy balance of the region have to go beyond the actual energy sector, involving the analysis of other sectors of economy, as well as systems such as banking, budgetary, legislative, tax. Due to the complexity of the discussed problems, the obvious is the need to develop appropriate forecast-analytical system, allowing regional authorities to implement evidence-based predictions of the consequences of management decisions. Multivariant scenario study on development of fuel and energy complex and separately industry, to use the methods of project-based management, harmonized application of state regulation of strategic and market mechanisms on the operational directions of development of fuel and energy complex and separately industry in the economy of the region.

  3. Double unification of particles with fields and electricity with gravity in non-empty space of continuous complex energies

    Directory of Open Access Journals (Sweden)

    Bulyzhenkov Igor E.

    2016-01-01

    Full Text Available Non-empty space reading of Maxwell equations as local energy identities explains why a Coulomb field is carried rigidly by electrons in experiments. The analytical solution of the Poisson equation defines the sharp radial shape of charged elementary densities which are proportional to continuous densities of electric self-energy. Both Coulomb field and radial charge densities are free from energy divergences. Non-empty space of electrically charged mass-energy can be described by complex analytical densities resulting in real values for volume mass integrals and in imaginary values for volume charge integrals. Imaginary electric charges in the Newton gravitational law comply with real Coulomb forces. Unification of forces through complex charges rids them of radiation self-acceleration. Strong gravitational fields repeal probe bodies that might explainthe accelerated expansion of the dense Metagalaxy. Outward and inward spherical waves form the standing wave process within the radial carrier of complex energy.

  4. Sustainability of environment-assisted energy transfer in quantum photobiological complexes

    Energy Technology Data Exchange (ETDEWEB)

    Zloshchastiev, Konstantin G. [Institute of Systems Science, Durban University of Technology (South Africa)

    2017-09-15

    It is shown that quantum sustainability is a universal phenomenon which emerges during environment-assisted electronic excitation energy transfer (EET) in photobiological complexes (PBCs), such as photosynthetic reaction centers and centers of melanogenesis. We demonstrate that quantum photobiological systems must be sustainable for them to simultaneously endure continuous energy transfer and keep their internal structure from destruction or critical instability. These quantum effects occur due to the interaction of PBCs with their environment which can be described by means of the reduced density operator and effective non-Hermitian Hamiltonian (NH). Sustainable NH models of EET predict the coherence beats, followed by the decrease of coherence down to a small, yet non-zero value. This indicates that in sustainable PBCs, quantum effects survive on a much larger time scale than the energy relaxation of an exciton. We show that sustainable evolution significantly lowers the entropy of PBCs and improves the speed and capacity of EET. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Photoprotection in an ecological context: the remarkable complexity of thermal energy dissipation.

    Science.gov (United States)

    Demmig-Adams, Barbara; Adams, William W

    2006-01-01

    This review places photoprotection into the context of ecology and species diversity. The focus is on photoprotection via the safe removal - as thermal energy - of excess solar energy absorbed by the light collecting system, which counteracts the formation of reactive oxygen species. An update on the surprisingly complex, multiple variations of thermal energy dissipation is presented, placing these different forms into ecological and genetic contexts. Zeaxanthin-facilitated, flexible thermal dissipation associated with the PsbS protein and controlled by the trans-thylakoid pH gradient apparently occurs ubiquitously in plants, and can become sustained (and thus less flexible) at low temperatures. Long-lived, slow-growing plants with low intrinsic capacities for photosynthesis have greater capacities for this flexible dissipation than short-lived, fast-growing species. Furthermore, potent, but inflexible (zeaxanthin-facilitated) thermal dissipation, prominent in evergreen species under prolonged environmental stress, is characterized with respect to the involvement of photosystem II core rearrangement and/or degradation as well as the absence of control by trans-thylakoid pH and, possibly, PsbS. A role of PsbS-related proteins in photoprotection is discussed.

  6. Viability of HTR-10 as a Primary Driver of an Energy Complex for Remote Settlement

    International Nuclear Information System (INIS)

    Choong, Philip T.

    2014-01-01

    HTR-10, a proven 10 MWt prototype pebble bed reactor, is capable of generating 4 MWe to the power grid. However; with evolutional power upgrades, its output performance can be substantially enhanced to drive an energy complex to co-generate electricity, hydrogen, desalinated water and process heat for a remote island or settlement of several thousand people. Unlike the much publicized SMR power concepts in the literature, HTR-10 is the only full-blown stand-alone power system that has been demonstrated to be inherently safe and capable of high temperature output. Furthermore, this particular HTR family of reactors is proliferation-resistant and possesses many desirable market-competitive advantages such as high thermal efficiency, low thermal pollution, zero carbon footprints and minimal exclusion zones. An innovative classroom project course is structured to stimulate science and engineering students to explore novel use of HTR-10 as a high temperature heat source to be the core of an intelligent zero emission energy (Smart-ZEE) module capable of providing all energy needs of a remote community or island. (author)

  7. Type III odontoid fractures: A subgroup analysis of complex, high-energy fractures treated with external immobilization

    Directory of Open Access Journals (Sweden)

    Thomas E Niemeier

    2018-01-01

    Conclusions: Complex Type III odontoid fractures are distinctly different from low-energy injuries. In the current study, 21% of patients were unsuccessfully treated nonoperatively with external immobilization and required surgery. For complex Type III fractures, we recommend initial conservative treatment, while maintaining close monitoring throughout patient recovery and fracture union.

  8. Development of the fuel and energy complex within the less demanding variant of Czechoslovak economy till 2000

    International Nuclear Information System (INIS)

    Kopac, P.; Blaha, J.; Maly, M.

    1989-01-01

    The character of the fuel and energy complex which has to serve national economy, requires that it be developed according to the needs and possibilities of national economy. A projection of social and economic development of Czechoslovakia till 2000 was set up by the Central Institute of National Economy Research and it was used as the basis of a scenario of the development of the fuel and energy complex. The results are given of modeling the development of the complex. (author). 6 tabs., 3 refs

  9. Complex motion in nonlinear-map model of elevators in energy-saving traffic

    Science.gov (United States)

    Nagatani, Takashi

    2011-05-01

    We have studied the dynamic behavior and dynamic transitions of elevators in a system for reducing energy consumption. We present a nonlinear-map model for the dynamics of M elevators. The motion of elevators depends on the loading parameter and their number M. The dependence of the fixed points on the loading parameter is derived. The dynamic transitions occur at 2(M-1) stages with increasing the value of loading parameter. At the dynamic transition point, the motion of elevators changes from a stable state to an unstable state and vice versa. The elevators display periodic motions with various periods in the unstable state. In the unstable state, the number of riding passengers fluctuates in a complex manner over various trips.

  10. Water Complexes of Cytochrome P450: Insights from Energy Decomposition Analysis

    Directory of Open Access Journals (Sweden)

    Hajime Hirao

    2013-06-01

    Full Text Available Water is a small molecule that nevertheless perturbs, sometimes significantly, the electronic properties of an enzyme’s active site. In this study, interactions of a water molecule with the ferric heme and the compound I (Cpd I intermediate of cytochrome P450 are studied. Energy decomposition analysis (EDA schemes are used to investigate the physical origins of these interactions. Localized molecular orbital EDA (LMOEDA implemented in the quantum chemistry software GAMESS and the EDA method implemented in the ADF quantum chemistry program are used. EDA reveals that the electrostatic and polarization effects act as the major driving force in both of these interactions. The hydrogen bonding in the Cpd I•••H2O complex is similar to that in the water dimer; however, the relative importance of the electrostatic effect is somewhat larger in the water dimer.

  11. Excitation energy transfer between Light-harvesting complex II and Photosystem I in reconstituted membranes.

    Science.gov (United States)

    Akhtar, Parveen; Lingvay, Mónika; Kiss, Teréz; Deák, Róbert; Bóta, Attila; Ughy, Bettina; Garab, Győző; Lambrev, Petar H

    2016-04-01

    Light-harvesting complex II (LHCII), the major peripheral antenna of Photosystem II in plants, participates in several concerted mechanisms for regulation of the excitation energy and electron fluxes in thylakoid membranes. In part, these include interaction of LHCII with Photosystem I (PSI) enhancing the latter's absorption cross-section - for example in the well-known state 1 - state 2 transitions or as a long-term acclimation to high light. In this work we examined the capability of LHCII to deliver excitations to PSI in reconstituted membranes in vitro. Proteoliposomes with native plant thylakoid membrane lipids and different stoichiometric ratios of LHCII:PSI were reconstituted and studied by steady-state and time-resolved fluorescence spectroscopy. Fluorescence emission from LHCII was strongly decreased in PSI-LHCII membranes due to trapping of excitations by PSI. Kinetic modelling of the time-resolved fluorescence data revealed the existence of separate pools of LHCII distinguished by the time scale of energy transfer. A strongly coupled pool, equivalent to one LHCII trimer per PSI, transferred excitations to PSI with near-unity efficiency on a time scale of less than 10ps but extra LHCIIs also contributed significantly to the effective antenna size of PSI, which could be increased by up to 47% in membranes containing 3 LHCII trimers per PSI. The results demonstrate a remarkable competence of LHCII to increase the absorption cross-section of PSI, given the opportunity that the two types of complexes interact in the membrane. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. First results from the International Urban Energy Balance Model Comparison: Model Complexity

    Science.gov (United States)

    Blackett, M.; Grimmond, S.; Best, M.

    2009-04-01

    A great variety of urban energy balance models has been developed. These vary in complexity from simple schemes that represent the city as a slab, through those which model various facets (i.e. road, walls and roof) to more complex urban forms (including street canyons with intersections) and features (such as vegetation cover and anthropogenic heat fluxes). Some schemes also incorporate detailed representations of momentum and energy fluxes distributed throughout various layers of the urban canopy layer. The models each differ in the parameters they require to describe the site and the in demands they make on computational processing power. Many of these models have been evaluated using observational datasets but to date, no controlled comparisons have been conducted. Urban surface energy balance models provide a means to predict the energy exchange processes which influence factors such as urban temperature, humidity, atmospheric stability and winds. These all need to be modelled accurately to capture features such as the urban heat island effect and to provide key information for dispersion and air quality modelling. A comparison of the various models available will assist in improving current and future models and will assist in formulating research priorities for future observational campaigns within urban areas. In this presentation we will summarise the initial results of this international urban energy balance model comparison. In particular, the relative performance of the models involved will be compared based on their degree of complexity. These results will inform us on ways in which we can improve the modelling of air quality within, and climate impacts of, global megacities. The methodology employed in conducting this comparison followed that used in PILPS (the Project for Intercomparison of Land-Surface Parameterization Schemes) which is also endorsed by the GEWEX Global Land Atmosphere System Study (GLASS) panel. In all cases, models were run

  13. Synthesis, Photoluminescence Behavior of Green Light Emitting Tb(III) Complexes and Mechanistic Investigation of Energy Transfer Process.

    Science.gov (United States)

    Bala, Manju; Kumar, Satish; Devi, Rekha; Khatkar, Avni; Taxak, V B; Boora, Priti; Khatkar, S P

    2018-06-04

    A series of five new terbium(III) ion complexes with 4,4-difluoro-1-phenylbutane-1,3-dione (HDPBD) and anciliary ligands was synthesized. The composition and properties of complexes were analyzed by elemental analysis, IR, NMR, powder X-ray diffaraction, TG-DTG and photoluminescence spectroscopy. These complexes exhibited ligand sensitized green emission at 546 nm associated with 5 D 4  →  7 F 5 transitions of terbium ion in the emission spectra. The photoluminescence study manifested that the organic ligands act as antenna and facilitate the absorbed energy to emitting levels of Tb(III) ion efficiently. The enhanced luminescence intensity and decay time of ternary C2-C5 complexes observed due to synergistic effect of anciliary ligands. The CIE color coordinates of complexes came under the green region of chromaticity diagram. The mechanistic investigation of intramolecular energy transfer in the complexes was discussed in detail. These terbium(III) complexes can be thrivingly used as one of the green component in light emitting material and in display devices. Graphical Abstract Illustrate the sensitization process of the Tb ion and intramolecular energy transfer process in the Tb 3+ complex.

  14. Treatment of complex biological mixtures with pulsed electric fields An energy transfer characterization

    International Nuclear Information System (INIS)

    Schrive, Luc

    2004-01-01

    Sewage sludge from waste water treatment plants is a complex biological mixture and a problematic by-product because of valorisation restrictions. In order to limit its production, pulsed electric fields (PEF) were studied because of their biological effects and their potentially physico-chemical action. This work demonstrated a paradoxical phenomenon: cell lysis triggered a respirometric activation followed by a delayed lethality. This phenomenon was related to the leakage of internal compounds which were immediately bio-assimilated. At high energy expense, the plasmic membrane permeabilization led to cell death. Practically, with the technical configuration of the equipment, no hydrolysis was detected. This limitation decreases the interest for excess sludge reduction, but for the same reason, PEF cold sterilization technique can be assessed as a promising process. The representation of the electric energy transfer from electrodes to cell was exchanged by the study of mass transfer from the biological cell to the surrounding media under an electromotive force. Thus, the survival rate was modelled by a Sherwood number taking account of electrical, biological and hydraulic parameters. (author) [fr

  15. Complex motion in nonlinear-map model of elevators in energy-saving traffic

    International Nuclear Information System (INIS)

    Nagatani, Takashi

    2011-01-01

    We have studied the dynamic behavior and dynamic transitions of elevators in a system for reducing energy consumption. We present a nonlinear-map model for the dynamics of M elevators. The motion of elevators depends on the loading parameter and their number M. The dependence of the fixed points on the loading parameter is derived. The dynamic transitions occur at 2(M-1) stages with increasing the value of loading parameter. At the dynamic transition point, the motion of elevators changes from a stable state to an unstable state and vice versa. The elevators display periodic motions with various periods in the unstable state. In the unstable state, the number of riding passengers fluctuates in a complex manner over various trips. - Highlights: → We propose the nonlinear-map model in energy-saving traffic of elevators. → We study the dynamical behavior and dynamical transitions in the system of elevators. → We derive the fixed point of the nonlinear map analytically. → We clarify the dependence of the motion on the loading parameter and the number.

  16. Complex motion in nonlinear-map model of elevators in energy-saving traffic

    Energy Technology Data Exchange (ETDEWEB)

    Nagatani, Takashi, E-mail: tmtnaga@ipc.shizuoka.ac.j [Department of Mechanical Engineering, Division of Thermal Science, Shizuoka University, Hamamatsu 432-8561 (Japan)

    2011-05-16

    We have studied the dynamic behavior and dynamic transitions of elevators in a system for reducing energy consumption. We present a nonlinear-map model for the dynamics of M elevators. The motion of elevators depends on the loading parameter and their number M. The dependence of the fixed points on the loading parameter is derived. The dynamic transitions occur at 2(M-1) stages with increasing the value of loading parameter. At the dynamic transition point, the motion of elevators changes from a stable state to an unstable state and vice versa. The elevators display periodic motions with various periods in the unstable state. In the unstable state, the number of riding passengers fluctuates in a complex manner over various trips. - Highlights: We propose the nonlinear-map model in energy-saving traffic of elevators. We study the dynamical behavior and dynamical transitions in the system of elevators. We derive the fixed point of the nonlinear map analytically. We clarify the dependence of the motion on the loading parameter and the number.

  17. Complex suppression patterns distinguish between major energy loss effects in Quark–Gluon Plasma

    Energy Technology Data Exchange (ETDEWEB)

    Djordjevic, Magdalena, E-mail: magda@ipb.ac.rs

    2016-12-10

    Interactions of high momentum partons with Quark–Gluon Plasma created in relativistic heavy-ion collisions provide an excellent tomography tool for this new form of matter. Recent measurements for charged hadrons and unidentified jets at the LHC show an unexpected flattening of the suppression curves at high momentum, exhibited when either momentum or the collision centrality is changed. Furthermore, a limited data available for B probes indicate a qualitatively different pattern, as nearly the same flattening is exhibited for the curves corresponding to two opposite momentum ranges. We here show that the experimentally measured suppression curves are well reproduced by our theoretical predictions, and that the complex suppression patterns are due to an interplay of collisional, radiative energy loss and the dead-cone effect. Furthermore, for B mesons, we predict that the uniform flattening of the suppression indicated by the limited dataset is in fact valid across the entire span of the momentum ranges, which will be tested by the upcoming experiments. Overall, the study presented here, provides a rare opportunity for pQCD theory to qualitatively distinguish between the major energy loss mechanisms at the same (nonintuitive) dataset.

  18. Method for Determining the Activation Energy Distribution Function of Complex Reactions by Sieving and Thermogravimetric Measurements.

    Science.gov (United States)

    Bufalo, Gennaro; Ambrosone, Luigi

    2016-01-14

    A method for studying the kinetics of thermal degradation of complex compounds is suggested. Although the method is applicable to any matrix whose grain size can be measured, herein we focus our investigation on thermogravimetric analysis, under a nitrogen atmosphere, of ground soft wheat and ground maize. The thermogravimetric curves reveal that there are two well-distinct jumps of mass loss. They correspond to volatilization, which is in the temperature range 298-433 K, and decomposition regions go from 450 to 1073 K. Thermal degradation is schematized as a reaction in the solid state whose kinetics is analyzed separately in each of the two regions. By means of a sieving analysis different size fractions of the material are separated and studied. A quasi-Newton fitting algorithm is used to obtain the grain size distribution as best fit to experimental data. The individual fractions are thermogravimetrically analyzed for deriving the functional relationship between activation energy of the degradation reactions and the particle size. Such functional relationship turns out to be crucial to evaluate the moments of the activation energy distribution, which is unknown in terms of the distribution calculated by sieve analysis. From the knowledge of moments one can reconstruct the reaction conversion. The method is applied first to the volatilization region, then to the decomposition region. The comparison with the experimental data reveals that the method reproduces the experimental conversion with an accuracy of 5-10% in the volatilization region and of 3-5% in the decomposition region.

  19. Synergistic microbial consortium for bioenergy generation from complex natural energy sources.

    Science.gov (United States)

    Wang, Victor Bochuan; Yam, Joey Kuok Hoong; Chua, Song-Lin; Zhang, Qichun; Cao, Bin; Chye, Joachim Loo Say; Yang, Liang

    2014-01-01

    Microbial species have evolved diverse mechanisms for utilization of complex carbon sources. Proper combination of targeted species can affect bioenergy production from natural waste products. Here, we established a stable microbial consortium with Escherichia coli and Shewanella oneidensis in microbial fuel cells (MFCs) to produce bioenergy from an abundant natural energy source, in the form of the sarcocarp harvested from coconuts. This component is mostly discarded as waste. However, through its usage as a feedstock for MFCs to produce useful energy in this study, the sarcocarp can be utilized meaningfully. The monospecies S. oneidensis system was able to generate bioenergy in a short experimental time frame while the monospecies E. coli system generated significantly less bioenergy. A combination of E. coli and S. oneidensis in the ratio of 1:9 (v:v) significantly enhanced the experimental time frame and magnitude of bioenergy generation. The synergistic effect is suggested to arise from E. coli and S. oneidensis utilizing different nutrients as electron donors and effect of flavins secreted by S. oneidensis. Confocal images confirmed the presence of biofilms and point towards their importance in generating bioenergy in MFCs.

  20. Energy transfer ultraviolet photodetector with 8-hydroxyquinoline derivative-metal complexes as acceptors

    International Nuclear Information System (INIS)

    Wu Shuang-Hong; Chen Zhi; Li Shi-Bin; Wang Xiao-Hui; Wei Xiong-Bang; Li Wen-Lian

    2015-01-01

    We choose 8-hydroxyquinoline derivative-metal complexes (Beq, Mgq, and Znq) as the acceptors (A) and 4,4',4”-tri-(2-methylphenyl phenylamino) triphenylaine (m-MTDATA) as the donor (D) respectively to study the existing energy transfer process in the organic ultraviolet (UV) photodetector (PD), which has an important influence on the sensitivity of PDs. The energy transfer process from D to A without exciplex formation is discussed, differing from the working mechanism of previous PDs with Gaq [Zisheng Su, Wenlian Li, Bei Chu, Tianle Li, Jianzhuo Zhu, Guang Zhang, Fei Yan, Xiao Li, Yiren Chen and Chun-Sing Lee 2008 Appl. Phys. Lett. 93 103309)] and REq [J. B. Wang, W. L. Li, B. Chu, L. L. Chen, G. Zhang, Z. S. Su, Y. R. Chen, D. F. Yang, J. Z. Zhu, S. H. Wu, F. Yan, H. H. Liu, C. S. Lee 2010 Org. Electron. 11 1301] used as an A material. Under 365-nm UV irradiation with an intensity of 1.2 mW/cm 2 , the m-MTDATA:Beq blend device with a weight ratio of 1:1 shows a response of 192 mA/W with a detectivity of 6.5× 10 11 Jones, which exceeds those of PDs based on Mgq (146 mA/W) and Znq (182 mA/W) due to better energy level alignment between m-MTDATA/Beq and lower radiative decay. More photophysics processes of the PDs involved are discussed in detail. (paper)

  1. Energy transfer ultraviolet photodetector with 8-hydroxyquinoline derivative-metal complexes as acceptors

    Science.gov (United States)

    Wu, Shuang-Hong; Li, Wen-Lian; Chen, Zhi; Li, Shi-Bin; Wang, Xiao-Hui; Wei, Xiong-Bang

    2015-02-01

    We choose 8-hydroxyquinoline derivative-metal complexes (Beq, Mgq, and Znq) as the acceptors (A) and 4,4',4”-tri-(2-methylphenyl phenylamino) triphenylaine (m-MTDATA) as the donor (D) respectively to study the existing energy transfer process in the organic ultraviolet (UV) photodetector (PD), which has an important influence on the sensitivity of PDs. The energy transfer process from D to A without exciplex formation is discussed, differing from the working mechanism of previous PDs with Gaq [Zisheng Su, Wenlian Li, Bei Chu, Tianle Li, Jianzhuo Zhu, Guang Zhang, Fei Yan, Xiao Li, Yiren Chen and Chun-Sing Lee 2008 Appl. Phys. Lett. 93 103309)] and REq [J. B. Wang, W. L. Li, B. Chu, L. L. Chen, G. Zhang, Z. S. Su, Y. R. Chen, D. F. Yang, J. Z. Zhu, S. H. Wu, F. Yan, H. H. Liu, C. S. Lee 2010 Org. Electron. 11 1301] used as an A material. Under 365-nm UV irradiation with an intensity of 1.2 mW/cm2, the m-MTDATA:Beq blend device with a weight ratio of 1:1 shows a response of 192 mA/W with a detectivity of 6.5× 1011 Jones, which exceeds those of PDs based on Mgq (146 mA/W) and Znq (182 mA/W) due to better energy level alignment between m-MTDATA/Beq and lower radiative decay. More photophysics processes of the PDs involved are discussed in detail. Project supported by the National Natural Science Foundation of China (Grant Nos. 61371046, 61405026, 61474016, and 61421002) and China Postdoctoral Science Foundation (Grant No. 2014M552330).

  2. Probing the Energy Transfer Dynamics of Photosynthetic Reaction Center Complexes Through Hole-Burning and Single-Complex Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Riley, Kerry Joseph [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    Photosynthesis is the process by which light energy is used to drive reactions that generate sugars to supply energy for cellular processes. It is one of the most important fundamental biological reactions and occurs in both prokaryotic (e.g. bacteria) and eukaryotic (e.g. plants and algae) organisms. Photosynthesis is also remarkably intricate, requiring the coordination of many different steps and reactions in order to successfully transform absorbed solar energy into a biochemical usable form of energy. However, the net reaction for all photosynthetic organisms can be reduced to the following, deceptively general, equation developed by Van Niel[1] H2 - D + Aimplieshv A - H2 + D where H2-D is the electron donor, e.g. H2O, H2S. A is the electron acceptor, e.g. CO2, and A-H2 is the synthesized sugar. Amazingly, this simple net equation is responsible for creating the oxidizing atmosphere of Earth and the recycling of CO2, both of which are necessary for the sustainment of the global ecosystem.

  3. Energy efficiency and sustainability of complex biogas systems: A 3-level emergetic evaluation

    International Nuclear Information System (INIS)

    Chen, Shaoqing; Chen, Bin

    2014-01-01

    Highlights: • The metabolism of complex biogas system increased from 2000 to 2008. • System renewability has been increased due to biogas utilization. • Electricity, diesels and infrastructure were the most efficient supplies. • All processes were challenged by high transformity and low sustainability. - Abstract: Biogas engineering and the biogas-linked agricultural industries as a whole has been used as both a developmental strategy for rural new emergy and an important part of renewable agriculture revolution in China. In this paper, we proposed a 3-level emergetic evaluation framework to investigate the energy efficiency and sustainability of a complex biogas system (CBS) in South China, comprising agro-industries such as planting, aquaculture, breeding and biogas. The framework is capable of tracking dynamical behaviors of the whole complex system (Level I), transformation processes (Level II) and resource components (Level III) simultaneously. Two new indicators, emergy contribution rate (ECR) and emergy supply efficiency (ESE) were developed to address the contribution and efficiency of resource components within each agro-industrial process. Our findings suggested the metabolism of the CBS were increased from 2000 to 2008, in which planting production was the biggest process in terms of total emergy input, while breeding was the most productive one with its highest total emergy yield. The CBS was under an industry transaction process stimulated by biogas construction, while the traditional agricultural activities still play an important role. For economic input, a trend towards a more renewable regime was found behind the total increase over time. With different preferences for renewable or non-renewable resources, planting and aquaculture production were proved natural donation-reliant, while breeding and biogas were economic input-dependent. Among all the economic inputs, electricity, diesels and infrastructure were the most efficient components

  4. Dynamics of energy transfer from lycopene to bacteriochlorophyll in genetically-modified LH2 complexes of Rhodobacter sphaeroides.

    Science.gov (United States)

    Hörvin Billsten, H; Herek, J L; Garcia-Asua, G; Hashøj, L; Polívka, T; Hunter, C N; Sundström, V

    2002-03-26

    LH2 complexes from Rb. sphaeroides were modified genetically so that lycopene, with 11 saturated double bonds, replaced the native carotenoids which contain 10 saturated double bonds. Tuning the S1 level of the carotenoid in LH2 in this way affected the dynamics of energy transfer within LH2, which were investigated using both steady-state and time-resolved techniques. The S1 energy of lycopene in n-hexane was determined to be approximately 12 500 +/- 150 cm(-1), by direct measurement of the S1-S2 transient absorption spectrum using a femtosecond IR-probing technique, thus placing an upper limit on the S1 energy of lycopene in the LH2 complex. Fluorescence emission and excitation spectra demonstrated that energy can be transferred from lycopene to the bacteriochlorophyll molecules within this LH2 complex. The energy-transfer dynamics within the mutant complex were compared to wild-type LH2 from Rb. sphaeroides containing the carotenoid spheroidene and from Rs. molischianum, in which lycopene is the native carotenoid. The results show that the overall efficiency for Crt --> B850 energy transfer is approximately 80% in lyco-LH2 and approximately 95% in WT-LH2 of Rb. sphaeroides. The difference in overall Crt --> BChl transfer efficiency of lyco-LH2 and WT-LH2 mainly relates to the low efficiency of the Crt S(1) --> BChl pathway for complexes containing lycopene, which was 20% in lyco-LH2. These results show that in an LH2 complex where the Crt S1 energy is sufficiently high to provide efficient spectral overlap with both B800 and B850 Q(y) states, energy transfer via the Crt S1 state occurs to both pigments. However, the introduction of lycopene into the Rb. sphaeroides LH2 complex lowers the S1 level of the carotenoid sufficiently to prevent efficient transfer of energy to the B800 Q(y) state, leaving only the Crt S1 --> B850 channel, strongly suggesting that Crt S1 --> BChl energy transfer is controlled by the relative Crt S1 and BChl Q(y) energies.

  5. GRAIN ALIGNMENT INDUCED BY RADIATIVE TORQUES: EFFECTS OF INTERNAL RELAXATION OF ENERGY AND COMPLEX RADIATION FIELD

    International Nuclear Information System (INIS)

    Hoang, Thiem; Lazarian, A.

    2009-01-01

    Earlier studies of grain alignment dealt mostly with interstellar grains that have strong internal relaxation of energy which aligns the grain axis of maximum moment of inertia (the axis of major inertia) with respect to the grain's angular momentum. In this paper, we study the alignment by radiative torques for large irregular grains, e.g., grains in accretion disks, for which internal relaxation is subdominant. We use both numerical calculations and the analytical model of a helical grain introduced by us earlier. We demonstrate that grains in such a regime exhibit more complex dynamics. In particular, if initially the grain axis of major inertia makes a small angle with angular momentum, then radiative torques can align the grain axis of major inertia with angular momentum, and both the axis of major inertia and angular momentum are aligned with the magnetic field when attractors with high angular momentum (high-J attractors) are available. For alignment without high-J attractors, beside the earlier studied attractors with low angular momentum (low-J attractors), there appear new low-J attractors. In addition, we also study the alignment of grains in the presence of strong internal relaxation, but induced not by a radiation beam as in earlier studies but instead induced by a complex radiation field that can be decomposed into dipole and quadrupole components. We found that in this situation the parameter space q max , for which high-J attractors exist in trajectory maps, is more extended, resulting in the higher degree of polarization expected. Our results are useful for modeling polarization arising from aligned dust grains in molecular clouds.

  6. Mobile loading transuranic waste at small quantity sites in the Department of Energy complex-10523

    International Nuclear Information System (INIS)

    Carter, Mitch; Howard, Bryan; Weyerman, Wade; Mctaggart, Jerri

    2009-01-01

    Los Alamos National Laboratory, Carlsbad Office (LANL-CO), operates mobile loading operations for all of the large and small quantity transuranic (TRU) waste sites in the Department of Energy (DOE) complex. The mobile loading team performs loading and unloading evolutions for both contact handled (CH) and remote handled (RH) waste. For small quantity sites, many of which have yet to remove their TRU waste, the mobile loading team will load shipments that will ship to Idaho National Laboratory, a centralization site, or ship directly to the Waste Isolation Pilot Plant (WIPP). For example, Argonne National Laboratory and General Electric Vallecitos Nuclear Center have certified programs for RH waste so they will ship their RH waste directly to WIPP. Many of the other sites will ship their waste to Idaho for characterization and certification. The Mobile Loading Units (MLU) contain all of the necessary equipment needed to load CH and RH waste into the appropriate shipping vessels. Sites are required to provide additional equipment, such as cranes, fork trucks, and office space. The sites are also required to provide personnel to assist in the shipping operations. Each site requires a site visit from the mobile loading team to ensure that all of the necessary site equipment, site requirements and space for shipping can be provided. The mobile loading team works diligently with site representatives to ensure that all safety and regulatory requirements are met. Once the waste is ready and shipping needs are met, the mobile loading team can be scheduled to ship the waste. The CH MLU is designed to support TRUPACT-II and HalfPACT loading activities wherever needed within the DOE complex. The team that performs the mobile loading operation has obtained national certification under DOE for TRUPACT-II and HalfPACT loading and shipment certification. The RH MLU is designed to support removable lid canister (RLC) and RH-72B cask loading activities wherever needed within the DOE

  7. Electrically active induced energy levels and metastability of B and N vacancy-complexes in 4H–SiC

    Science.gov (United States)

    Igumbor, E.; Olaniyan, O.; Mapasha, R. E.; Danga, H. T.; Omotoso, E.; Meyer, W. E.

    2018-05-01

    Electrically active induced energy levels in semiconductor devices could be beneficial to the discovery of an enhanced p or n-type semiconductor. Nitrogen (N) implanted into 4H–SiC is a high energy process that produced high defect concentrations which could be removed during dopant activation annealing. On the other hand, boron (B) substituted for silicon in SiC causes a reduction in the number of defects. This scenario leads to a decrease in the dielectric properties and induced deep donor and shallow acceptor levels. Complexes formed by the N, such as the nitrogen-vacancy centre, have been reported to play a significant role in the application of quantum bits. In this paper, results of charge states thermodynamic transition level of the N and B vacancy-complexes in 4H–SiC are presented. We explore complexes where substitutional N/N or B/B sits near a Si (V) or C (V) vacancy to form vacancy-complexes (NV, NV, NV, NV, BV, BV, BV and BV). The energies of formation of the N related vacancy-complexes showed the NV to be energetically stable close to the valence band maximum in its double positive charge state. The NV is more energetically stable in the double negative charge state close to the conduction band minimum. The NV on the other hand, induced double donor level and the NV induced a double acceptor level. For B related complexes, the BV and BV were energetically stable in their single positive charge state close to the valence band maximum. As the Fermi energy is varied across the band gap, the neutral and single negative charge states of the BV become more stable at different energy levels. B and N related complexes exhibited charge state controlled metastability behaviour.

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

    Science.gov (United States)

    Krechowicz, Maria

    2017-10-01

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

  9. Design of Complex Nanomaterials for Energy Storage: Past Success and Future Opportunity

    KAUST Repository

    Liu, Yayuan

    2017-12-05

    Conspectus The development of next-generation lithium-based rechargeable batteries with high energy density, low cost, and improved safety is a great challenge with profound technological significance for portable electronics, electric vehicles, and grid-scale energy storage. Specifically, advanced lithium battery chemistries call for a paradigm shift to electrodes with high Li to host ratio based on a conversion or alloying mechanism, where the increased capacity is often accompanied by drastic volumetric changes, significant bond breaking, limited electronic/ionic conductivity, and unstable electrode/electrolyte interphase. Fortunately, the rapid progress of nanotechnology over the past decade has been offering battery researchers effective means to tackle some of the most pressing issues for next-generation battery chemistries. The major applications of nanotechnology in batteries can be summarized as follows: First, by reduction of the dimensions of the electrode materials, the cracking threshold of the material upon lithiation can be overcome, at the same time facilitating electron/ion transport within the electrode. Second, nanotechnology also provides powerful methods to generate various surface-coating and functionalization layers on electrode materials, protecting them from side reactions in the battery environment. Finally, nanotechnology gives people the flexibility to engineer each and every single component within a battery (separator, current collector, etc.), bringing novel functions to batteries that are unachievable by conventional methods. Thus, this Account aims to highlight the crucial role of nanotechnology in advanced battery systems. Because of the limited space, we will mainly assess representative examples of rational nanomaterials design with complexity for silicon and lithium metal anodes, which have shown great promise in constraining their large volume changes and the repeated solid–electrolyte interphase formation during cycling

  10. Complexity and availability for fusion power plants: The potential advantages of inertial fusion energy

    International Nuclear Information System (INIS)

    Perkins, L.J.

    1997-01-01

    Probably the single largest advantage of the inertial route to fusion energy (IFE) is the perception that its power plant embodiments could achieve acceptable capacity factors. This is a result of its relative simplicity, the decoupling of the driver and reactor chamber, and the potential to employ thick liquid walls. The author examines these issues in terms of the complexity, reliability, maintainability and, therefore, availability of both magnetic and inertial fusion power plants and compares these factors with corresponding scheduled and unscheduled outage data from present day fission experience. The author stresses that, given the simple nature of a fission core, the vast majority of unplanned outages in fission plants are due to failures outside the reactor vessel itself. Given one must be prepared for similar outages in the analogous plant external to a fusion power core, this puts severe demands on the reliability required of the fusion core itself. The author indicates that such requirements can probably be met for IFE plants. He recommends that this advantage be promoted by performing a quantitative reliability and availability study for a representative IFE power plant and suggests that databases are probably adequate for this task. 40 refs., 4 figs., 3 tabs

  11. Impact of a Complex Food Microbiota on Energy Metabolism in the Model Organism Caenorhabditis elegans

    Directory of Open Access Journals (Sweden)

    Elena Zanni

    2015-01-01

    Full Text Available The nematode Caenorhabditis elegans is widely used as a model system for research on aging, development, and host-pathogen interactions. Little is currently known about the mechanisms underlying the effects exerted by foodborne microbes. We took advantage of C. elegans to evaluate the impact of foodborne microbiota on well characterized physiological features of the worms. Foodborne lactic acid bacteria (LAB consortium was used to feed nematodes and its composition was evaluated by 16S rDNA analysis and strain typing before and after colonization of the nematode gut. Lactobacillus delbrueckii, L. fermentum, and Leuconostoc lactis were identified as the main species and shown to display different worm gut colonization capacities. LAB supplementation appeared to decrease nematode lifespan compared to the animals fed with the conventional Escherichia coli nutrient source or a probiotic bacterial strain. Reduced brood size was also observed in microbiota-fed nematodes. Moreover, massive accumulation of lipid droplets was revealed by BODIPY staining. Altered expression of nhr-49, pept-1, and tub-1 genes, associated with obesity phenotypes, was demonstrated by RT-qPCR. Since several pathways are evolutionarily conserved in C. elegans, our results highlight the nematode as a valuable model system to investigate the effects of a complex microbial consortium on host energy metabolism.

  12. Complexity versus availability for fusion: The potential advantages of inertial fusion energy

    International Nuclear Information System (INIS)

    Perkins, L.J.

    1996-01-01

    Probably the single largest advantage of the inertial route to fusion energy (IFE) is the perception that its power plant embodiments could achieve acceptable capacity factors. This is a result of its relative simplicity, the decoupling of the driver and reactor chamber, and the potential to employ thick liquid walls. We examine these issues in terms of the complexity, reliability, maintainability and, therefore, availability of both magnetic and inertial fusion power plants and compare these factors with corresponding scheduled and unscheduled outage data from present day fission experience. We stress that, given the simple nature of a fission core, the vast majority of unplanned outages in fission plants are due to failures outside the reactor vessel itself Given we must be prepared for similar outages in the analogous plant external to a fusion power core, this puts severe demands on the reliability required of the fusion core itself. We indicate that such requirements can probably be met for IFE plants. We recommend that this advantage be promoted by performing a quantitative reliability and availability study for a representative IFE power plant and suggest that databases are probably adequate for this task

  13. Computational identification of binding energy hot spots in protein-RNA complexes using an ensemble approach.

    Science.gov (United States)

    Pan, Yuliang; Wang, Zixiang; Zhan, Weihua; Deng, Lei

    2018-05-01

    Identifying RNA-binding residues, especially energetically favored hot spots, can provide valuable clues for understanding the mechanisms and functional importance of protein-RNA interactions. Yet, limited availability of experimentally recognized energy hot spots in protein-RNA crystal structures leads to the difficulties in developing empirical identification approaches. Computational prediction of RNA-binding hot spot residues is still in its infant stage. Here, we describe a computational method, PrabHot (Prediction of protein-RNA binding hot spots), that can effectively detect hot spot residues on protein-RNA binding interfaces using an ensemble of conceptually different machine learning classifiers. Residue interaction network features and new solvent exposure characteristics are combined together and selected for classification with the Boruta algorithm. In particular, two new reference datasets (benchmark and independent) have been generated containing 107 hot spots from 47 known protein-RNA complex structures. In 10-fold cross-validation on the training dataset, PrabHot achieves promising performances with an AUC score of 0.86 and a sensitivity of 0.78, which are significantly better than that of the pioneer RNA-binding hot spot prediction method HotSPRing. We also demonstrate the capability of our proposed method on the independent test dataset and gain a competitive advantage as a result. The PrabHot webserver is freely available at http://denglab.org/PrabHot/. leideng@csu.edu.cn. Supplementary data are available at Bioinformatics online.

  14. Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex

    Science.gov (United States)

    Morgan, Sarah E.; Cole, Daniel J.; Chin, Alex W.

    2016-11-01

    Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provides a computationally inexpensive approach to studying vibrational modes at the microscopic level in large protein structures, whilst incorporating anharmonicity in the inter-residue interactions which can influence protein dynamics. We apply the NNM to the entire trimeric FMO complex and find evidence for the existence of nonlinear discrete breather modes. These modes tend to transfer energy to the highly connected core pigments, potentially opening up alternative excitation energy transfer routes through their influence on pigment properties. Incorporating localised modes based on these discrete breathers in the optical spectra calculations for FMO using ab initio site energies and excitonic couplings can substantially improve their agreement with experimental results.

  15. Probing energy transfer events in the light harvesting complex 2 (LH2) of Rhodobacter sphaeroides with two-dimensional spectroscopy.

    Science.gov (United States)

    Fidler, Andrew F; Singh, Ved P; Long, Phillip D; Dahlberg, Peter D; Engel, Gregory S

    2013-10-21

    Excitation energy transfer events in the photosynthetic light harvesting complex 2 (LH2) of Rhodobacter sphaeroides are investigated with polarization controlled two-dimensional electronic spectroscopy. A spectrally broadened pulse allows simultaneous measurement of the energy transfer within and between the two absorption bands at 800 nm and 850 nm. The phased all-parallel polarization two-dimensional spectra resolve the initial events of energy transfer by separating the intra-band and inter-band relaxation processes across the two-dimensional map. The internal dynamics of the 800 nm region of the spectra are resolved as a cross peak that grows in on an ultrafast time scale, reflecting energy transfer between higher lying excitations of the B850 chromophores into the B800 states. We utilize a polarization sequence designed to highlight the initial excited state dynamics which uncovers an ultrafast transfer component between the two bands that was not observed in the all-parallel polarization data. We attribute the ultrafast transfer component to energy transfer from higher energy exciton states to lower energy states of the strongly coupled B850 chromophores. Connecting the spectroscopic signature to the molecular structure, we reveal multiple relaxation pathways including a cyclic transfer of energy between the two rings of the complex.

  16. Probing energy transfer events in the light harvesting complex 2 (LH2) of Rhodobacter sphaeroides with two-dimensional spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fidler, Andrew F.; Singh, Ved P.; Engel, Gregory S. [Department of Chemistry, The Institute for Biophysical Dynamics, and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Long, Phillip D.; Dahlberg, Peter D. [Graduate Program in the Biophysical Sciences, The University of Chicago, Chicago, Illinois 60637 (United States)

    2013-10-21

    Excitation energy transfer events in the photosynthetic light harvesting complex 2 (LH2) of Rhodobacter sphaeroides are investigated with polarization controlled two-dimensional electronic spectroscopy. A spectrally broadened pulse allows simultaneous measurement of the energy transfer within and between the two absorption bands at 800 nm and 850 nm. The phased all-parallel polarization two-dimensional spectra resolve the initial events of energy transfer by separating the intra-band and inter-band relaxation processes across the two-dimensional map. The internal dynamics of the 800 nm region of the spectra are resolved as a cross peak that grows in on an ultrafast time scale, reflecting energy transfer between higher lying excitations of the B850 chromophores into the B800 states. We utilize a polarization sequence designed to highlight the initial excited state dynamics which uncovers an ultrafast transfer component between the two bands that was not observed in the all-parallel polarization data. We attribute the ultrafast transfer component to energy transfer from higher energy exciton states to lower energy states of the strongly coupled B850 chromophores. Connecting the spectroscopic signature to the molecular structure, we reveal multiple relaxation pathways including a cyclic transfer of energy between the two rings of the complex.

  17. Probing energy transfer events in the light harvesting complex 2 (LH2) of Rhodobacter sphaeroides with two-dimensional spectroscopy

    International Nuclear Information System (INIS)

    Fidler, Andrew F.; Singh, Ved P.; Engel, Gregory S.; Long, Phillip D.; Dahlberg, Peter D.

    2013-01-01

    Excitation energy transfer events in the photosynthetic light harvesting complex 2 (LH2) of Rhodobacter sphaeroides are investigated with polarization controlled two-dimensional electronic spectroscopy. A spectrally broadened pulse allows simultaneous measurement of the energy transfer within and between the two absorption bands at 800 nm and 850 nm. The phased all-parallel polarization two-dimensional spectra resolve the initial events of energy transfer by separating the intra-band and inter-band relaxation processes across the two-dimensional map. The internal dynamics of the 800 nm region of the spectra are resolved as a cross peak that grows in on an ultrafast time scale, reflecting energy transfer between higher lying excitations of the B850 chromophores into the B800 states. We utilize a polarization sequence designed to highlight the initial excited state dynamics which uncovers an ultrafast transfer component between the two bands that was not observed in the all-parallel polarization data. We attribute the ultrafast transfer component to energy transfer from higher energy exciton states to lower energy states of the strongly coupled B850 chromophores. Connecting the spectroscopic signature to the molecular structure, we reveal multiple relaxation pathways including a cyclic transfer of energy between the two rings of the complex

  18. Energy optimization and prediction of complex petrochemical industries using an improved artificial neural network approach integrating data envelopment analysis

    International Nuclear Information System (INIS)

    Han, Yong-Ming; Geng, Zhi-Qiang; Zhu, Qun-Xiong

    2016-01-01

    Graphical abstract: This paper proposed an energy optimization and prediction of complex petrochemical industries based on a DEA-integrated ANN approach (DEA-ANN). The proposed approach utilizes the DEA model with slack variables for sensitivity analysis to determine the effective decision making units (DMUs) and indicate the optimized direction of the ineffective DMUs. Compared with the traditional ANN approach, the DEA-ANN prediction model is effectively verified by executing a linear comparison between all DMUs and the effective DMUs through the standard data source from the UCI (University of California at Irvine) repository. Finally, the proposed model is validated through an application in a complex ethylene production system of China petrochemical industry. Meanwhile, the optimization result and the prediction value are obtained to reduce energy consumption of the ethylene production system, guide ethylene production and improve energy efficiency. - Highlights: • The DEA-integrated ANN approach is proposed. • The DEA-ANN prediction model is effectively verified through the standard data source from the UCI repository. • The energy optimization and prediction framework of complex petrochemical industries based on the proposed method is obtained. • The proposed method is valid and efficient in improvement of energy efficiency in complex petrochemical plants. - Abstract: Since the complex petrochemical data have characteristics of multi-dimension, uncertainty and noise, it is difficult to accurately optimize and predict the energy usage of complex petrochemical systems. Therefore, this paper proposes a data envelopment analysis (DEA) integrated artificial neural network (ANN) approach (DEA-ANN). The proposed approach utilizes the DEA model with slack variables for sensitivity analysis to determine the effective decision making units (DMUs) and indicate the optimized direction of the ineffective DMUs. Compared with the traditional ANN approach, the DEA

  19. Character of intermolecular interaction in pyridine-argon complex: Ab initio potential energy surface, internal dynamics, and interrelations between SAPT energy components

    Energy Technology Data Exchange (ETDEWEB)

    Makarewicz, Jan, E-mail: jama@amu.edu.pl; Shirkov, Leonid [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89b, 61-614 Poznań (Poland)

    2016-05-28

    The pyridine-Ar (PAr) van der Waals (vdW) complex is studied using a high level ab initio method. Its structure, binding energy, and intermolecular vibrational states are determined from the analytical potential energy surface constructed from interaction energy (IE) values computed at the coupled cluster level of theory with single, double, and perturbatively included triple excitations with the augmented correlation consistent polarized valence double-ζ (aug-cc-pVDZ) basis set complemented by midbond functions. The structure of the complex at its global minimum with Ar at a distance of 3.509 Å from the pyridine plane and shifted by 0.218 Å from the center of mass towards nitrogen agrees well with the corresponding equilibrium structure derived previously from the rotational spectrum of PAr. The PAr binding energy D{sub e} of 392 cm{sup −1} is close to that of 387 cm{sup −1} calculated earlier at the same ab initio level for the prototypical benzene-Ar (BAr) complex. However, under an extension of the basis set, D{sub e} for PAr becomes slightly lower than D{sub e} for BAr. The ab initio vdW vibrational energy levels allow us to estimate the reliability of the methods for the determination of the vdW fundamentals from the rotational spectra. To disclose the character of the intermolecular interaction in PAr, the symmetry-adapted perturbation theory (SAPT) is employed for the analysis of different physical contributions to IE. It is found that SAPT components of IE can be approximately expressed in the binding region by only two of them: the exchange repulsion and dispersion energy. The total induction effect is negligible. The interrelations between various SAPT components found for PAr are fulfilled for a few other complexes involving aromatic molecules and Ar or Ne, which indicates that they are valid for all rare gas (Rg) atoms and aromatics.

  20. Ultrafast time-resolved carotenoid to-bacteriochlorophyll energy transfer in LH2 complexes from photosynthetic bacteria.

    Science.gov (United States)

    Cong, Hong; Niedzwiedzki, Dariusz M; Gibson, George N; LaFountain, Amy M; Kelsh, Rhiannon M; Gardiner, Alastair T; Cogdell, Richard J; Frank, Harry A

    2008-08-28

    Steady-state and ultrafast time-resolved optical spectroscopic investigations have been carried out at 293 and 10 K on LH2 pigment-protein complexes isolated from three different strains of photosynthetic bacteria: Rhodobacter (Rb.) sphaeroides G1C, Rb. sphaeroides 2.4.1 (anaerobically and aerobically grown), and Rps. acidophila 10050. The LH2 complexes obtained from these strains contain the carotenoids, neurosporene, spheroidene, spheroidenone, and rhodopin glucoside, respectively. These molecules have a systematically increasing number of pi-electron conjugated carbon-carbon double bonds. Steady-state absorption and fluorescence excitation experiments have revealed that the total efficiency of energy transfer from the carotenoids to bacteriochlorophyll is independent of temperature and nearly constant at approximately 90% for the LH2 complexes containing neurosporene, spheroidene, spheroidenone, but drops to approximately 53% for the complex containing rhodopin glucoside. Ultrafast transient absorption spectra in the near-infrared (NIR) region of the purified carotenoids in solution have revealed the energies of the S1 (2(1)Ag-)-->S2 (1(1)Bu+) excited-state transitions which, when subtracted from the energies of the S0 (1(1)Ag-)-->S2 (1(1)Bu+) transitions determined by steady-state absorption measurements, give precise values for the positions of the S1 (2(1)Ag-) states of the carotenoids. Global fitting of the ultrafast spectral and temporal data sets have revealed the dynamics of the pathways of de-excitation of the carotenoid excited states. The pathways include energy transfer to bacteriochlorophyll, population of the so-called S* state of the carotenoids, and formation of carotenoid radical cations (Car*+). The investigation has found that excitation energy transfer to bacteriochlorophyll is partitioned through the S1 (1(1)Ag-), S2 (1(1)Bu+), and S* states of the different carotenoids to varying degrees. This is understood through a consideration of the

  1. Complex of programs for calculating radiation fields outside plane protecting shields, bombarded by high-energy nucleons

    International Nuclear Information System (INIS)

    Gel'fand, E.K.; Man'ko, B.V.; Serov, A.Ya.; Sychev, B.S.

    1979-01-01

    A complex of programs for modelling various radiation situations at high energy proton accelerators is considered. The programs are divided into there main groups according to their purposes. The first group includes programs for preparing constants describing the processes of different particle interaction with a substanc The second group of programs calculates the complete function of particle distribution arising in shields under irradiation by high energy nucleons. Concrete radiation situations arising at high energy proton accelerators are calculated by means of the programs of the third group. A list of programs as well as their short characteristic are given

  2. Spectral heterogeneity and carotenoid-to-bacteriochlorophyll energy transfer in LH2 light-harvesting complexes from Allochromatium vinosum.

    Science.gov (United States)

    Magdaong, Nikki M; LaFountain, Amy M; Hacking, Kirsty; Niedzwiedzki, Dariusz M; Gibson, George N; Cogdell, Richard J; Frank, Harry A

    2016-02-01

    Photosynthetic organisms produce a vast array of spectral forms of antenna pigment-protein complexes to harvest solar energy and also to adapt to growth under the variable environmental conditions of light intensity, temperature, and nutrient availability. This behavior is exemplified by Allochromatium (Alc.) vinosum, a photosynthetic purple sulfur bacterium that produces different types of LH2 light-harvesting complexes in response to variations in growth conditions. In the present work, three different spectral forms of LH2 from Alc. vinosum, B800-820, B800-840, and B800-850, were isolated, purified, and examined using steady-state absorption and fluorescence spectroscopy, and ultrafast time-resolved absorption spectroscopy. The pigment composition of the LH2 complexes was analyzed by high-performance liquid chromatography, and all were found to contain five carotenoids: lycopene, anhydrorhodovibrin, spirilloxanthin, rhodopin, and rhodovibrin. Spectral reconstructions of the absorption and fluorescence excitation spectra based on the pigment composition revealed significantly more spectral heterogeneity in these systems compared to LH2 complexes isolated from other species of purple bacteria. The data also revealed the individual carotenoid-to-bacteriochlorophyll energy transfer efficiencies which were correlated with the kinetic data from the ultrafast transient absorption spectroscopic experiments. This series of LH2 complexes allows a systematic exploration of the factors that determine the spectral properties of the bound pigments and control the rate and efficiency of carotenoid-to-bacteriochlorophyll energy transfer.

  3. Effects of virtual isobar admixtures on the low-energy spectrum of a complex nucleus - model calculations for 12C

    International Nuclear Information System (INIS)

    Grecksch, E.

    1978-01-01

    On the basis of a detailed analysis of the excitation spectrum of a complex nucleus in the framework of the conventional shell model theory, the paper extends this concept by adding nucleonic degrees of freedom (isobars) and by model investigations and a realistic assessment of their effects on the excited states of the low-energy spectrum. (AH) [de

  4. Complex energies from real perturbation series for the LoSurdo-Stark effect in hydrogen by Borel-Pade approximants

    Energy Technology Data Exchange (ETDEWEB)

    Franceschini, V.; Grecchi, V.; Silverstone, H.J.

    1985-09-01

    The resonance energies for the hydrogen atom in an electric field, both the real and imaginary parts, have been calculated together from the real Rayleigh-Schroedinger perturbation series by Borel summation. Pade approximants were used to evaluate the Borel transform. The numerical results compare well with values obtained by the complex-coordinate variational method and by sequential use of Pade approximants.

  5. Relative significance of heat transfer processes to quantify tradeoffs between complexity and accuracy of energy simulations with a building energy use patterns classification

    Science.gov (United States)

    Heidarinejad, Mohammad

    This dissertation develops rapid and accurate building energy simulations based on a building classification that identifies and focuses modeling efforts on most significant heat transfer processes. The building classification identifies energy use patterns and their contributing parameters for a portfolio of buildings. The dissertation hypothesis is "Building classification can provide minimal required inputs for rapid and accurate energy simulations for a large number of buildings". The critical literature review indicated there is lack of studies to (1) Consider synoptic point of view rather than the case study approach, (2) Analyze influence of different granularities of energy use, (3) Identify key variables based on the heat transfer processes, and (4) Automate the procedure to quantify model complexity with accuracy. Therefore, three dissertation objectives are designed to test out the dissertation hypothesis: (1) Develop different classes of buildings based on their energy use patterns, (2) Develop different building energy simulation approaches for the identified classes of buildings to quantify tradeoffs between model accuracy and complexity, (3) Demonstrate building simulation approaches for case studies. Penn State's and Harvard's campus buildings as well as high performance LEED NC office buildings are test beds for this study to develop different classes of buildings. The campus buildings include detailed chilled water, electricity, and steam data, enabling to classify buildings into externally-load, internally-load, or mixed-load dominated. The energy use of the internally-load buildings is primarily a function of the internal loads and their schedules. Externally-load dominated buildings tend to have an energy use pattern that is a function of building construction materials and outdoor weather conditions. However, most of the commercial medium-sized office buildings have a mixed-load pattern, meaning the HVAC system and operation schedule dictate

  6. A Complex Systems Approach to Energy Poverty in sub-Saharan Africa: Nigeria as a Case Study

    Science.gov (United States)

    Chidebell Emordi, Chukwunonso

    Energy poverty is pervasive in sub-Saharan Africa. Nigeria, located in sub-Saharan West Africa, is the world's seventh largest oil exporting country and is a resource-rich nation. It however experiences the same levels of energy poverty as most of its neighboring countries. Attributing this paradox only to corruption or the "Dutch Disease", where one sector booms at the expense of other sectors of the economy, is simplistic and enervates attempts at reform. In addition, data on energy consumption is aggregated at the national level via estimates, disaggregated data is virtually non-existent. Finally, the wave of decentralization of vertically integrated national utilities sweeping the developing world has caught on in sub-Saharan Africa. However, little is known of the economic and social implications of these transitions within the unique socio-technical system of the region's electricity sector, especially as it applies to energy poverty. This dissertation proposes a complex systems approach to measuring and mitigating energy poverty in Nigeria due to its multi-dimensional nature. This is done via a three-fold approach: the first section of the study delves into causation by examining the governance institutions that create and perpetuate energy poverty; the next section proposes a context-specific minimum energy poverty line based on field data collected on energy consumption; and the paper concludes with an indicator-based transition management framework encompassing institutional, economic, social, and environmental themes of sustainable transition within the electricity sector. This work contributes to intellectual discourse on systems-based mitigation strategies for energy poverty that are widely applicable within the sub-Saharan region, as well as adds to the knowledge-base of decision-support tools for addressing energy poverty in its complexity.

  7. Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Enriquez, Miriam M.; Zhang, Cheng; Tan, Howe-Siang, E-mail: howesiang@ntu.edu.sg [Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Akhtar, Parveen; Garab, Győző; Lambrev, Petar H., E-mail: lambrev@brc.hu [Institute of Plant Biology, Biological Research Centre, Hungarian Academy of Sciences, P.O. Box 521, H-6701 Szeged (Hungary)

    2015-06-07

    The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Q{sub y} band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysis of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240–270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet–singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.

  8. Concept of the Interactive Platform for Real Time Energy Consumption Analysis in the Complex Urban Environment

    Directory of Open Access Journals (Sweden)

    Ales Podgornik

    2015-03-01

    Full Text Available This paper presents a concept of interactive and comprehensive platform based on advanced metering infrastructure for exchanging information on energy consumption and consequently on energy efficiency in urban and industrial environment which can serve as powerful tool for monitoring of progress in transition toward low carbon society. Proposed concept aims at supporting energy utilities in optimizing energy performance of both supply and demand side aspect of their work and have a potential to fill the gap and help in harmonization of interests between the energy utilities, energy service providers, local energy agencies and citizens. The proposed concept should be realized as a platform with the modular architecture, allowing future expansion of user’s portfolio and inventory management (new energy efficiency measures, technologies, different industries, urban districts and regions.

  9. Energy demand futures by global models : Projections of a complex system

    NARCIS (Netherlands)

    Edelenbosch, O.Y.

    2018-01-01

    The energy demand sectors industry, transport and buildings are together directly responsible for around 51 % of the global energy-related CO2 emissions and indirectly drive the emissions in the energy supply sectors. The demand sectors are characterized by many subsectors, technologies,

  10. Possible applications of a hybrid thermonuclear energy source based on a DPF device in modern energy complexes

    International Nuclear Information System (INIS)

    Gribkov, V.A.; Tyagunov, M.G.

    1983-01-01

    A source of thermonuclear energy based on the dense plasma focus (DPF) device in a hybrid fusion-fission version is proposed. In its initial operating phase such a facility would be a net energy consumer and would breed fissile material; as the fissile content in the blanket increases, the installation would become a net energy producer. Under the proposed scheme of blanket operation, up to 50% of the uranium could be burned while maintaining electrical output and without refabrication of fuel elements. If desired, operation could continue after the fuel is almost completely exhausted to burn the nuclear waste. It is thought that the new source could become both technologically and economically feasible in the near future. Smooth control should present no problem and the speed at which the device could be brought up to full load should greatly improve the flexibility of the overall electrical supply system

  11. Study on the generalized WKB approximation for the inverse scattering problem at fixed energy for complex potentials

    International Nuclear Information System (INIS)

    Pozdnyakov, Yu.A.; Terenetskij, K.O.

    1981-01-01

    The approximate method for solution of the inverse scattering problem (ISP) at fixed energy for complex spherically symmetric potentials decreasing faster 1/r is considered. The method is based on using a generalized WKB approximation. For the designed potential V(r) a sufficiently ''close'' reference potential V(r) has been chosen. For both potentials S-matrix elements (ME) have been calculated and inversion procedure has been carried out. S-ME have been calculated for integral-valued and intermediate angular moment values. S-ME are presented in a graphical form for being restored reference, and restored potentials for proton scattering with Esub(p)=49.48 MeV energy on 12 C nuclei. The restoration is the better the ''closer'' the sought-for potential to the reference one. This allows to specify the potential by means of iterations: the restored potential can be used as a reference one, etc. The operation of a restored potential smoothing before the following iteration is introduced. Drawbacks and advantages of the ISP solution method under consideration are pointed out. The method application is strongly limited by the requirement that the energy should be higher than a certain ''critical'' one. The method is applicable in a wider region of particle energies (in the low-energies direction) than the ordinary WKB method. The method is more simple in realization conformably to complex potentials. The investigations carried out of the proposed ISP solution method at fixed energy for complex spherically-symmetric potentials allow to conclude that the method can be successFully applied to specify the central part of interaction of nucleons, α-particles and heavy ions of average and high energies with atomic nuclei [ru

  12. Secondary Power Resources of the Fuel and Energy Complex in Ukraine

    Directory of Open Access Journals (Sweden)

    Shkrabets F.P.

    2016-04-01

    Full Text Available This article describes the types of secondary energy resources that occur during or as a result of mining or of technological processes at metallurgical, coke and chemical enterprises. The research of opportunities to use them directly at industrial enterprises, in case when an energy resource or the energy generated “is not a commodity” was carried out. To generate electricity from secondary sources, the use of diesel power plants and gas–turbine facilities was offered. The values ​​of investments in the construction of thermal power plants (TPP based on different types of secondary energy resources were calculated. Tentative capacities of power plants, which utilize the energy of secondary sources were also computed. The figures used for assessing the release and use of secondary energy resources were given. The necessity of using secondary sources of energy to reduce harmful effects on the environment was emphasized.

  13. People bouncing on trampolines: dramatic energy transfer, a table-top demonstration, complex dynamics and a zero sum game.

    Directory of Open Access Journals (Sweden)

    Manoj Srinivasan

    Full Text Available Jumping on trampolines is a popular backyard recreation. In some trampoline games (e.g., "seat drop war", when two people land on the trampoline with only a small time-lag, one person bounces much higher than the other, as if energy has been transferred from one to the other. First, we illustrate this energy-transfer in a table-top demonstration, consisting of two balls dropped onto a mini-trampoline, landing almost simultaneously, sometimes resulting in one ball bouncing much higher than the other. Next, using a simple mathematical model of two masses bouncing passively on a massless trampoline with no dissipation, we show that with specific landing conditions, it is possible to transfer all the kinetic energy of one mass to the other through the trampoline - in a single bounce. For human-like parameters, starting with equal energy, the energy transfer is maximal when one person lands approximately when the other is at the bottom of her bounce. The energy transfer persists even for very stiff surfaces. The energy-conservative mathematical model exhibits complex non-periodic long-term motions. To complement this passive bouncing model, we also performed a game-theoretic analysis, appropriate when both players are acting strategically to steal the other player's energy. We consider a zero-sum game in which each player's goal is to gain the other player's kinetic energy during a single bounce, by extending her leg during flight. For high initial energy and a symmetric situation, the best strategy for both subjects (minimax strategy and Nash equilibrium is to use the shortest available leg length and not extend their legs. On the other hand, an asymmetry in initial heights allows the player with more energy to gain even more energy in the next bounce. Thus synchronous bouncing unstable is unstable both for passive bouncing and when leg lengths are controlled as in game-theoretic equilibria.

  14. People Bouncing on Trampolines: Dramatic Energy Transfer, a Table-Top Demonstration, Complex Dynamics and a Zero Sum Game

    Science.gov (United States)

    Srinivasan, Manoj; Wang, Yang; Sheets, Alison

    2013-01-01

    Jumping on trampolines is a popular backyard recreation. In some trampoline games (e.g., “seat drop war”), when two people land on the trampoline with only a small time-lag, one person bounces much higher than the other, as if energy has been transferred from one to the other. First, we illustrate this energy-transfer in a table-top demonstration, consisting of two balls dropped onto a mini-trampoline, landing almost simultaneously, sometimes resulting in one ball bouncing much higher than the other. Next, using a simple mathematical model of two masses bouncing passively on a massless trampoline with no dissipation, we show that with specific landing conditions, it is possible to transfer all the kinetic energy of one mass to the other through the trampoline – in a single bounce. For human-like parameters, starting with equal energy, the energy transfer is maximal when one person lands approximately when the other is at the bottom of her bounce. The energy transfer persists even for very stiff surfaces. The energy-conservative mathematical model exhibits complex non-periodic long-term motions. To complement this passive bouncing model, we also performed a game-theoretic analysis, appropriate when both players are acting strategically to steal the other player's energy. We consider a zero-sum game in which each player's goal is to gain the other player's kinetic energy during a single bounce, by extending her leg during flight. For high initial energy and a symmetric situation, the best strategy for both subjects (minimax strategy and Nash equilibrium) is to use the shortest available leg length and not extend their legs. On the other hand, an asymmetry in initial heights allows the player with more energy to gain even more energy in the next bounce. Thus synchronous bouncing unstable is unstable both for passive bouncing and when leg lengths are controlled as in game-theoretic equilibria. PMID:24236029

  15. A building technical management system optimizes the energy recovery in a swimming pool-skating rink complex; Une GTB optimise la recuperation d'energie d'un complexe piscine-patinoire

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    2003-04-01

    The municipal skating rink of La Roche-sur-Yon (France) is supplied by a direct expansion refrigerating system. The energy recovered from this system allows to heat the sport complex made of a 25 m swimming pool and of a ludic pool. A technical management system ensures the control and management of the overall technical equipments. The automation of the system has permitted to optimize the energy costs which have remained practically unchanged since 20 years, even after the extension of the main pool and the increase of the number of visitors. (J.S.)

  16. Energy conserving numerical methods for the computation of complex vortical flows

    Science.gov (United States)

    Allaneau, Yves

    One of the original goals of this thesis was to develop numerical tools to help with the design of micro air vehicles. Micro Air Vehicles (MAVs) are small flying devices of only a few inches in wing span. Some people consider that as their size becomes smaller and smaller, it would be increasingly more difficult to keep all the classical control surfaces such as the rudders, the ailerons and the usual propellers. Over the years, scientists took inspiration from nature. Birds, by flapping and deforming their wings, are capable of accurate attitude control and are able to generate propulsion. However, the biomimicry design has its own limitations and it is difficult to place a hummingbird in a wind tunnel to study precisely the motion of its wings. Our approach was to use numerical methods to tackle this challenging problem. In order to precisely evaluate the lift and drag generated by the wings, one needs to be able to capture with high fidelity the extremely complex vortical flow produced in the wake. This requires a numerical method that is stable yet not too dissipative, so that the vortices do not get diffused in an unphysical way. We solved this problem by developing a new Discontinuous Galerkin scheme that, in addition to conserving mass, momentum and total energy locally, also preserves kinetic energy globally. This property greatly improves the stability of the simulations, especially in the special case p=0 when the approximation polynomials are taken to be piecewise constant (we recover a finite volume scheme). In addition to needing an adequate numerical scheme, a high fidelity solution requires many degrees of freedom in the computations to represent the flow field. The size of the smallest eddies in the flow is given by the Kolmogoroff scale. Capturing these eddies requires a mesh counting in the order of Re³ cells, where Re is the Reynolds number of the flow. We show that under-resolving the system, to a certain extent, is acceptable. However our

  17. A study of core electron binding energies in technetium-99m complexes by internal conversion electron spectroscopy

    International Nuclear Information System (INIS)

    Burke, J.F.; Archer, C.M.; Wei Chiu, K.; Latham, I.A.; Egdell, R.G.

    1991-01-01

    Core electron binding energies in a series of 99m Tc complexes have been studied by internal conversion electron spectroscopy (ICES) in a conventional x-ray photoelectron spectrometer. In both 3d and 3p regions, a chemical shift of about 1 eV is observed per unit increase in oxidation state. The role of ICES in characterizing radiopharmaceutical agents is illustrated with studies of some novel 99m Tc-phosphine complexes that have been developed for myocardial perfusion imaging. (author)

  18. On issue of increasing profitability of automated energy technology complexes for preparation and combustion of water-coal suspensions

    Science.gov (United States)

    Brylina, O. G.; Osintsev, K. V.; Prikhodko, YU S.; Savosteenko, N. V.

    2018-03-01

    The article considers the issues of energy technological complexes economy increase on the existing techniques of water-coal suspensions preparation and burning basis due to application of highly effective control systems of electric drives and neurocontrol. The automated control system structure for the main boiler components is given. The electric drive structure is disclosed by the example of pumps (for transfer of coal-water mash and / or suspension). A system for controlling and diagnosing a heat and power complex based on a multi-zone regulator is proposed. The possibility of using neural networks for implementing the control algorithms outlined in the article is considered.

  19. Renewable Resources: a national catalog of model projects. Volume 2. Mid-American Solar Energy Complex Region

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-07-01

    This compilation of diverse conservation and renewable energy projects across the United States was prepared through the enthusiastic participation of solar and alternate energy groups from every state and region. Compiled and edited by the Center for Renewable Resources, these projects reflect many levels of innovation and technical expertise. In many cases, a critique analysis is presented of how projects performed and of the institutional conditions associated with their success or failure. Some 2000 projects are included in this compilation; most have worked, some have not. Information about all is presented to aid learning from these experiences. The four volumes in this set are arranged in state sections by geographic region, coinciding with the four Regional Solar Energy Centers. The table of contents is organized by project category so that maximum cross-referencing may be obtained. This volume includes information on the Mid-American Solar Energy Complex Region. (WHK)

  20. Preliminary assessment of nuclear energy centers and energy systems complexes in the western United States. Final report

    International Nuclear Information System (INIS)

    Gottlieb, P.; Robinson, J.H.; Smith, D.R.

    1978-02-01

    The Nuclear Energy Center siting opportunities in the eleven western states have been systematically examined. The study area has been divided into 10-mile by 10-mile grid cells, and each cell has been evaluated in terms of overall suitability and site-related costs. Composite suitability consists of a weighted sum of ten important nuclear power plant siting issues; the particular weights used for this study were decided by a Delphi session of twenty individuals with energy facility siting expertise, with at least one representative from each of the eleven western states. Site-related costs consist of the additional expenditures required for seismic hardening (in seismically active areas), electric power transmission lines (for sites significantly far from load centers), and wet/dry cooling system costs

  1. Preliminary assessment of nuclear energy centers and energy systems complexes in the western United States. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Gottlieb, P.; Robinson, J.H.; Smith, D.R.

    1978-02-01

    The Nuclear Energy Center siting opportunities in the eleven western states have been systematically examined. The study area has been divided into 10-mile by 10-mile grid cells, and each cell has been evaluated in terms of overall suitability and site-related costs. Composite suitability consists of a weighted sum of ten important nuclear power plant siting issues; the particular weights used for this study were decided by a Delphi session of twenty individuals with energy facility siting expertise, with at least one representative from each of the eleven western states. Site-related costs consist of the additional expenditures required for seismic hardening (in seismically active areas), electric power transmission lines (for sites significantly far from load centers), and wet/dry cooling system costs (limited water availability and/or high summer temperatures).

  2. Identification of DNA-binding protein target sequences by physical effective energy functions: free energy analysis of lambda repressor-DNA complexes.

    Directory of Open Access Journals (Sweden)

    Caselle Michele

    2007-09-01

    Full Text Available Abstract Background Specific binding of proteins to DNA is one of the most common ways gene expression is controlled. Although general rules for the DNA-protein recognition can be derived, the ambiguous and complex nature of this mechanism precludes a simple recognition code, therefore the prediction of DNA target sequences is not straightforward. DNA-protein interactions can be studied using computational methods which can complement the current experimental methods and offer some advantages. In the present work we use physical effective potentials to evaluate the DNA-protein binding affinities for the λ repressor-DNA complex for which structural and thermodynamic experimental data are available. Results The binding free energy of two molecules can be expressed as the sum of an intermolecular energy (evaluated using a molecular mechanics forcefield, a solvation free energy term and an entropic term. Different solvation models are used including distance dependent dielectric constants, solvent accessible surface tension models and the Generalized Born model. The effect of conformational sampling by Molecular Dynamics simulations on the computed binding energy is assessed; results show that this effect is in general negative and the reproducibility of the experimental values decreases with the increase of simulation time considered. The free energy of binding for non-specific complexes, estimated using the best energetic model, agrees with earlier theoretical suggestions. As a results of these analyses, we propose a protocol for the prediction of DNA-binding target sequences. The possibility of searching regulatory elements within the bacteriophage λ genome using this protocol is explored. Our analysis shows good prediction capabilities, even in absence of any thermodynamic data and information on the naturally recognized sequence. Conclusion This study supports the conclusion that physics-based methods can offer a completely complementary

  3. Towards a Net Zero Building Cluster Energy Systems Analysis for a Brigade Combat Team Complex

    Science.gov (United States)

    2010-05-01

    of technologies, like cogeneration or combined heat and power, waste heat recovery, biomass, geother- mal energy , solar heating (and cooling), and...financial evaluation of all projects. The costs of natural gas, alternative energy technology, alter- native fuels and the impact of greenhouse gas...distribution is unlimited. 1 Proceedings of ASME 2010 4th International Conference on Energy Sustainability ES2010 May 17-22, 2010 Phoenix

  4. Efficient light-harvesting using non-carbonyl carotenoids: Energy transfer dynamics in the VCP complex from Nannochloropsis oceanica.

    Science.gov (United States)

    Keşan, Gürkan; Litvín, Radek; Bína, David; Durchan, Milan; Šlouf, Václav; Polívka, Tomáš

    2016-04-01

    Violaxanthin-chlorophyll a protein (VCP) from Nannochloropsis oceanica is a Chl a-only member of the LHC family of light-harvesting proteins. VCP binds carotenoids violaxanthin (Vio), vaucheriaxanthin (Vau), and vaucheriaxanthin-ester (Vau-ester). Here we report on energy transfer pathways in the VCP complex. The overall carotenoid-to-Chla energy transfer has efficiency over 90%. Based on their energy transfer properties, the carotenoids in VCP can be divided into two groups; blue carotenoids with the lowest energy absorption band around 480nm and red carotenoids with absorption extended up to 530nm. Both carotenoid groups transfer energy efficiently from their S2 states, reaching efficiencies of ~70% (blue) and ~60% (red). The S1 pathway, however, is efficient only for the red carotenoid pool for which two S1 routes characterized by 0.33 and 2.4ps time constants were identified. For the blue carotenoids the S1-mediated pathway is represented only by a minor route likely involving a hot S1 state. The relaxed S1 state of blue carotenoids decays to the ground state within 21ps. Presence of a fraction of non-transferring red carotenoids with the S1 lifetime of 13ps indicates some specific carotenoid-protein interaction that must shorten the intrinsic S1 lifetime of Vio and/or Vau whose S1 lifetimes in methanol are 26 and 29ps, respectively. The VCP complex from N. oceanica is the first example of a light-harvesting complex binding only non-carbonyl carotenoids with carotenoid-to-chlorophyll energy transfer efficiency over 90%. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Highly efficient energy transfer from a carbonyl carotenoid to chlorophyll a in the main light harvesting complex of Chromera velia.

    Science.gov (United States)

    Durchan, Milan; Keşan, Gürkan; Slouf, Václav; Fuciman, Marcel; Staleva, Hristina; Tichý, Josef; Litvín, Radek; Bína, David; Vácha, František; Polívka, Tomáš

    2014-10-01

    We report on energy transfer pathways in the main light-harvesting complex of photosynthetic relative of apicomplexan parasites, Chromera velia. This complex, denoted CLH, belongs to the family of FCP proteins and contains chlorophyll (Chl) a, violaxanthin, and the so far unidentified carbonyl carotenoid related to isofucoxanthin. The overall carotenoid-to-Chl-a energy transfer exhibits efficiency over 90% which is the largest among the FCP-like proteins studied so far. Three spectroscopically different isofucoxanthin-like molecules were identified in CLH, each having slightly different energy transfer efficiency that increases from isofucoxanthin-like molecules absorbing in the blue part of the spectrum to those absorbing in the reddest part of spectrum. Part of the energy transfer from carotenoids proceeds via the ultrafast S2 channel of both the violaxanthin and isofucoxanthin-like carotenoid, but major energy transfer pathway proceeds via the S1/ICT state of the isofucoxanthin-like carotenoid. Two S1/ICT-mediated channels characterized by time constants of ~0.5 and ~4ps were found. For the isofucoxanthin-like carotenoid excited at 480nm the slower channel dominates, while those excited at 540nm employs predominantly the fast 0.5ps channel. Comparing these data with the excited-state properties of the isofucoxanthin-like carotenoid in solution we conclude that, contrary to other members of the FCP family employing carbonyl carotenoids, CLH complex suppresses the charge transfer character of the S1/ICT state of the isofucoxanthin-like carotenoid to achieve the high carotenoid-to-Chl-a energy transfer efficiency. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. Optimal Resources Planning of Residential Complex Energy System in a Day-ahead Market Based on Invasive Weed Optimization Algorithm

    Directory of Open Access Journals (Sweden)

    P. Αhmadi

    2017-10-01

    Full Text Available This paper deals with optimal resources planning in a residential complex energy system, including FC (fuel cell, PV (Photovoltaic panels and the battery. A day-ahead energy management system (EMS based on invasive weed optimization (IWO algorithm is defined for managing different resources to determine an optimal operation schedule for the energy resources at each time interval to minimize the operation cost of a smart residential complex energy system. Moreover, in this paper the impacts of the sell to grid and purchase from grid are also considered. All practical constraints of the each energy resources and utility policies are taken into account. Moreover, sensitivity analysis are conducted on electricity prices and sell to grid factor (SGF, in order to improve understanding the impact of key parameters on residential CHP systems economy. It is shown that proposed system can meet all electrical and thermal demands with economic point of view. Also enhancement of electricity price leads to substantial growth in utilization of proposed CHP system.

  7. Activation energies as the validity criterion of a model for complex reactions that can be in oscillatory states

    Directory of Open Access Journals (Sweden)

    Anić S.

    2007-01-01

    Full Text Available Modeling of any complex reaction system is a difficult task. If the system under examination can be in various oscillatory dynamic states, the apparent activation energies corresponding to different pathways may be of crucial importance for this purpose. In that case the activation energies can be determined by means of the main characteristics of an oscillatory process such as pre-oscillatory period, duration of the oscillatory period, the period from the beginning of the process to the end of the last oscillation, number of oscillations and others. All is illustrated on the Bray-Liebhafsky oscillatory reaction.

  8. Temporal signal energy correction and low-complexity encoder feedback for lossy scalable video coding

    NARCIS (Netherlands)

    Loomans, M.J.H.; Koeleman, C.J.; With, de P.H.N.

    2010-01-01

    In this paper, we address two problems found in embedded implementations of Scalable Video Codecs (SVCs): the temporal signal energy distribution and frame-to-frame quality fluctuations. The unequal energy distribution between the low- and high-pass band with integer-based wavelets leads to

  9. Agent-based Integration of Complex and Heterogeneous Distributed Energy Resources in Virtual Power Plants

    DEFF Research Database (Denmark)

    Clausen, Anders; Umair, Aisha; Demazeau, Yves

    2017-01-01

    A Virtual Power Plant aggregates several Distributed Energy Resources in order to expose them as a single, controllable entity. This enables smaller Distributed Energy Resources to take part in Demand Response programs which traditionally only targeted larger consumers. To date, models for Virtual...

  10. Slow down or race to halt: towards managing complexity of real-time energy management decisions

    OpenAIRE

    Petters, Stefan M.; Awan, Muhammad Ali

    2010-01-01

    Existing work in the context of energy management for real-time systems often ignores the substantial cost of making DVFS and sleep state decisions in terms of time and energy and/or assume very simple models. Within this paper we attempt to explore the parameter space for such decisions and possible constraints faced.

  11. Efficient light-harvesting using non-carbonyl carotenoids: Energy transfer dynamics in the VCP complex from Nannochloropsis oceanica

    Czech Academy of Sciences Publication Activity Database

    Kesan, G.; Litvín, Radek; Bína, David; Durchan, Milan; Šlouf, V.; Polívka, Tomáš

    2016-01-01

    Roč. 1857, č. 4 (2016), s. 370-379 ISSN 0005-2728 R&D Projects: GA ČR(CZ) GAP205/11/1164; GA ČR GBP501/12/G055; GA ČR(CZ) GP14-01377P Institutional support: RVO:60077344 Keywords : Carotenoids * Energy transfer * Light-harvesting complex Subject RIV: BO - Biophysics Impact factor: 4.932, year: 2016

  12. Automatic system for ecological monitoring of ambient air in the region of energy complex 'Maritsa-Iztok'

    International Nuclear Information System (INIS)

    Vasilev, V.; Videnova, I.; Nedyalkov, N.

    2000-01-01

    This report presents the automatic system for ecological monitoring of ambient air in the region of the energy complex 'Maritza-Iztok', developed by CCS-Bulgaria, Bulgarian Academy of Sciences, Institute of Control and System Research. The automatic station takes the concentration of nitric oxides, sulfuric dioxide and dust, as well as the meteorological indicators: temperature and humidity, atmospheric pressure, wind direction and speed, sun heat and radiation. The data appears on a information board and is kept in a database

  13. A coupled remote sensing and the Surface Energy Balance with Topography Algorithm (SEBTA) to estimate actual evapotranspiration under complex terrain

    OpenAIRE

    Z. Q. Gao; C. S. Liu; W. Gao; N. B. Chang

    2010-01-01

    Evapotranspiration (ET) may be used as an ecological indicator to address the ecosystem complexity. The accurate measurement of ET is of great significance for studying environmental sustainability, global climate changes, and biodiversity. Remote sensing technologies are capable of monitoring both energy and water fluxes on the surface of the Earth. With this advancement, existing models, such as SEBAL, S_SEBI and SEBS, enable us to estimate the regional ET with limited temporal and spa...

  14. Free Energy and Virtual Reality in Neuroscience and Psychoanalysis: A Complexity Theory of Dreaming and Mental Disorder

    Science.gov (United States)

    Hopkins, Jim

    2016-01-01

    The main concepts of the free energy (FE) neuroscience developed by Karl Friston and colleagues parallel those of Freud's Project for a Scientific Psychology. In Hobson et al. (2014) these include an innate virtual reality generator that produces the fictive prior beliefs that Freud described as the primary process. This enables Friston's account to encompass a unified treatment—a complexity theory—of the role of virtual reality in both dreaming and mental disorder. In both accounts the brain operates to minimize FE aroused by sensory impingements—including interoceptive impingements that report compliance with biological imperatives—and constructs a representation/model of the causes of impingement that enables this minimization. In Friston's account (variational) FE equals complexity minus accuracy, and is minimized by increasing accuracy and decreasing complexity. Roughly the brain (or model) increases accuracy together with complexity in waking. This is mediated by consciousness-creating active inference—by which it explains sensory impingements in terms of perceptual experiences of their causes. In sleep it reduces complexity by processes that include both synaptic pruning and consciousness/virtual reality/dreaming in REM. The consciousness-creating active inference that effects complexity-reduction in REM dreaming must operate on FE-arousing data distinct from sensory impingement. The most relevant source is remembered arousals of emotion, both recent and remote, as processed in SWS and REM on “active systems” accounts of memory consolidation/reconsolidation. Freud describes these remembered arousals as condensed in the dreamwork for use in the conscious contents of dreams, and similar condensation can be seen in symptoms. Complexity partly reflects emotional conflict and trauma. This indicates that dreams and symptoms are both produced to reduce complexity in the form of potentially adverse (traumatic or conflicting) arousals of amygdala

  15. Free Energy and Virtual Reality in Neuroscience and Psychoanalysis: A Complexity Theory of Dreaming and Mental Disorder

    Directory of Open Access Journals (Sweden)

    Jim Hopkins

    2016-07-01

    Full Text Available The main concepts of the free energy (FE neuroscience developed by Karl Friston and colleagues parallel those of Freud’s Project for a Scientific Psychology. In Hobson, Hong and Friston (2014 these include an innate virtual reality generator that produces the fictive prior beliefs that Freud described as the primary process. This enables Friston’s account to encompass a unified treatment – a complexity theory – of the role of virtual reality in both dreaming and mental disorder.In both accounts the brain operates to minimize FE aroused by sensory impingements -- including interoceptive impingements that report compliance with biological imperatives -- and constructs a representation/model of the causes of impingement that enables this minimization. In Friston’s account (variational FE equals complexity minus accuracy, and is minimized by increasing accuracy and decreasing complexity. Roughly the brain (or model increases accuracy together with complexity in waking. This is mediated by consciousness-creating active inference – by which it explains sensory impingements in terms of perceptual experiences of their causes. In sleep it reduces complexity by processes that include both synaptic pruning and consciousness/virtual reality/dreaming in REM.The consciousness-creating active inference that effects complexity-reduction in REM dreaming must operate on FE-arousing data distinct from sensory impingement. The most relevant source is remembered arousals of emotion, both recent and remote, as processed in SWS and REM on ‘active systems’ accounts of memory consolidation/reconsolidation. Freud describes these remembered arousals as condensed in the dreamwork for use in the conscious contents of dreams, and similar condensation can be seen in symptoms.Complexity partly reflects emotional conflict and trauma. This indicates that dreams and symptoms are both produced to reduce complexity in the form of potentially adverse (traumatic or

  16. Free Energy and Virtual Reality in Neuroscience and Psychoanalysis: A Complexity Theory of Dreaming and Mental Disorder.

    Science.gov (United States)

    Hopkins, Jim

    2016-01-01

    The main concepts of the free energy (FE) neuroscience developed by Karl Friston and colleagues parallel those of Freud's Project for a Scientific Psychology. In Hobson et al. (2014) these include an innate virtual reality generator that produces the fictive prior beliefs that Freud described as the primary process. This enables Friston's account to encompass a unified treatment-a complexity theory-of the role of virtual reality in both dreaming and mental disorder. In both accounts the brain operates to minimize FE aroused by sensory impingements-including interoceptive impingements that report compliance with biological imperatives-and constructs a representation/model of the causes of impingement that enables this minimization. In Friston's account (variational) FE equals complexity minus accuracy, and is minimized by increasing accuracy and decreasing complexity. Roughly the brain (or model) increases accuracy together with complexity in waking. This is mediated by consciousness-creating active inference-by which it explains sensory impingements in terms of perceptual experiences of their causes. In sleep it reduces complexity by processes that include both synaptic pruning and consciousness/virtual reality/dreaming in REM. The consciousness-creating active inference that effects complexity-reduction in REM dreaming must operate on FE-arousing data distinct from sensory impingement. The most relevant source is remembered arousals of emotion, both recent and remote, as processed in SWS and REM on "active systems" accounts of memory consolidation/reconsolidation. Freud describes these remembered arousals as condensed in the dreamwork for use in the conscious contents of dreams, and similar condensation can be seen in symptoms. Complexity partly reflects emotional conflict and trauma. This indicates that dreams and symptoms are both produced to reduce complexity in the form of potentially adverse (traumatic or conflicting) arousals of amygdala-related emotions

  17. Optimal dimensionality reduction of complex dynamics: the chess game as diffusion on a free-energy landscape.

    Science.gov (United States)

    Krivov, Sergei V

    2011-07-01

    Dimensionality reduction is ubiquitous in the analysis of complex dynamics. The conventional dimensionality reduction techniques, however, focus on reproducing the underlying configuration space, rather than the dynamics itself. The constructed low-dimensional space does not provide a complete and accurate description of the dynamics. Here I describe how to perform dimensionality reduction while preserving the essential properties of the dynamics. The approach is illustrated by analyzing the chess game--the archetype of complex dynamics. A variable that provides complete and accurate description of chess dynamics is constructed. The winning probability is predicted by describing the game as a random walk on the free-energy landscape associated with the variable. The approach suggests a possible way of obtaining a simple yet accurate description of many important complex phenomena. The analysis of the chess game shows that the approach can quantitatively describe the dynamics of processes where human decision-making plays a central role, e.g., financial and social dynamics.

  18. Communication: Broad manifold of excitonic states in light-harvesting complex 1 promotes efficient unidirectional energy transfer in vivo

    Science.gov (United States)

    Sohail, Sara H.; Dahlberg, Peter D.; Allodi, Marco A.; Massey, Sara C.; Ting, Po-Chieh; Martin, Elizabeth C.; Hunter, C. Neil; Engel, Gregory S.

    2017-10-01

    In photosynthetic organisms, the pigment-protein complexes that comprise the light-harvesting antenna exhibit complex electronic structures and ultrafast dynamics due to the coupling among the chromophores. Here, we present absorptive two-dimensional (2D) electronic spectra from living cultures of the purple bacterium, Rhodobacter sphaeroides, acquired using gradient assisted photon echo spectroscopy. Diagonal slices through the 2D lineshape of the LH1 stimulated emission/ground state bleach feature reveal a resolvable higher energy population within the B875 manifold. The waiting time evolution of diagonal, horizontal, and vertical slices through the 2D lineshape shows a sub-100 fs intra-complex relaxation as this higher energy population red shifts. The absorption (855 nm) of this higher lying sub-population of B875 before it has red shifted optimizes spectral overlap between the LH1 B875 band and the B850 band of LH2. Access to an energetically broad distribution of excitonic states within B875 offers a mechanism for efficient energy transfer from LH2 to LH1 during photosynthesis while limiting back transfer. Two-dimensional lineshapes reveal a rapid decay in the ground-state bleach/stimulated emission of B875. This signal, identified as a decrease in the dipole strength of a strong transition in LH1 on the red side of the B875 band, is assigned to the rapid localization of an initially delocalized exciton state, a dephasing process that frustrates back transfer from LH1 to LH2.

  19. A generation-attraction model for renewable energy flows in Italy: A complex network approach

    Science.gov (United States)

    Valori, Luca; Giannuzzi, Giovanni Luca; Facchini, Angelo; Squartini, Tiziano; Garlaschelli, Diego; Basosi, Riccardo

    2016-10-01

    In recent years, in Italy, the trend of the electricity demand and the need to connect a large number of renewable energy power generators to the power-grid, developed a novel type of energy transmission/distribution infrastructure. The Italian Transmission System Operator (TSO) and the Distribution System Operator (DSO), worked on a new infrastructural model, based on electronic meters and information technology. In pursuing this objective it is crucial importance to understand how even more larger shares of renewable energy can be fully integrated, providing a constant and reliable energy background over space and time. This is particularly true for intermittent sources as photovoltaic installations due to the fine-grained distribution of them across the Country. In this work we use an over-simplified model to characterize the Italian power grid as a graph whose nodes are Italian municipalities and the edges cross the administrative boundaries between a selected municipality and its first neighbours, following a Delaunay triangulation. Our aim is to describe the power flow as a diffusion process over a network, and using open data on the solar irradiation at the ground level, we estimate the production of photovoltaic energy in each node. An attraction index was also defined using demographic data, in accordance with average per capita energy consumption data. The available energy on each node was calculated by finding the stationary state of a generation-attraction model.

  20. Bonding and energy parameters for Pr and Nd complexes of benzimidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Mittal, S; Vyas, P C; Oza, C K [Rajasthan Univ., Jaipur (India). Dept. of Chemistry

    1991-01-01

    Complexes of praseodymium(III) and neodymium(III) with benzimidazoles have been synthesized and characterized by their conductance and infrared spectral studies. The values of interelectronic repulsion, i.e. Slater-Condon (F{sub 2}, F{sub 4}, F{sub 6}), Racah (E{sup 1}, E{sup 2}, E{sup 3}) parameters and spin-orbit interaction referred as Lande' ({zeta}4f) parameters have been calculated from their electronic spectral data. A comparison of these parameters for the complexes with Pr{sup 3+} and Nd{sup 3+} free ion parameters is discussed. Using F{sub 2} values, the nephelauxetic ratio({Beta}) and bonding parameter(b{sup 1/2}) have beeen calculated. The relative variation of covalent bonding in the complexes has been reported. (author). 11 refs., 1 tab.

  1. Energy transfer in the major intrinsic light-harvesting complex from Amphidinium carterae

    Czech Academy of Sciences Publication Activity Database

    Polívka, Tomáš; van Stokkum, I.H.M.; Zigmantas, D.; van Grondelle, R.; Sundström, V.; Hiller, R.G.

    2006-01-01

    Roč. 45, - (2006), s. 8516-8526 ISSN 0006-2960 Institutional research plan: CEZ:AV0Z50510513 Keywords : Energy transfer * Amphidinium carterae Subject RIV: CE - Biochemistry Impact factor: 3.633, year: 2006

  2. Energy transfer in the major intrinsic light-harvesting complex from Amphidinium carterae

    Czech Academy of Sciences Publication Activity Database

    Polívka, Tomáš; van Stokkum, I.H.M.; Zigmantas, D.; van Grondelle, R.; Sundström, V.; Hiller, R.G.

    2006-01-01

    Roč. 45, č. 28 (2006), s. 8516-8526 ISSN 0006-2960 Institutional research plan: CEZ:AV0Z50510513 Keywords : carotenoids * Energy transfer Subject RIV: CE - Biochemistry Impact factor: 3.633, year: 2006

  3. A health and research organization to meet complex needs of developing energy technologies

    International Nuclear Information System (INIS)

    Griffith, R.V.

    1980-01-01

    An increasing number of laboratories are conducting studies in a wide variety of energy technologies. Laboratories that once dealt with nuclear energy development are now involved in studies of fossil fuels, geothermal energy sources, and solar energy. Often the primary safety organization is required to expand its expertise into nonnuclear areas. At Lawrence Livermore Laboratory, the Special Projects Division of the Hazards Control Department provides health and safety technology development support to the Laboratory-wide safety program. The division conducts studies in fire science, industrial hygiene, and industrial safety as well as health physics. Availability of experts in fields such as aerosol physics, engineering, industrial hygiene, health physics, and fire science permits the solution of problems in a multidisciplined manner, with a minimum of duplication of resources and effort. (H.K.)

  4. Design of Complex Nanomaterials for Energy Storage: Past Success and Future Opportunity

    KAUST Repository

    Liu, Yayuan; Zhou, Guangmin; Liu, Kai; Cui, Yi

    2017-01-01

    Conspectus The development of next-generation lithium-based rechargeable batteries with high energy density, low cost, and improved safety is a great challenge with profound technological significance for portable electronics, electric vehicles

  5. Application of Genetic Algorithm to the Design Optimization of Complex Energy Saving Glass Coating Structure

    Science.gov (United States)

    Johar, F. M.; Azmin, F. A.; Shibghatullah, A. S.; Suaidi, M. K.; Ahmad, B. H.; Abd Aziz, M. Z. A.; Salleh, S. N.; Shukor, M. Md

    2014-04-01

    Attenuation of GSM, GPS and personal communication signal leads to poor communication inside the building using regular shapes of energy saving glass coating. Thus, the transmission is very low. A brand new type of band pass frequency selective surface (FSS) for energy saving glass application is presented in this paper for one unit cell. Numerical Periodic Method of Moment approach according to a previous study has been applied to determine the new optimum design of one unit cell energy saving glass coating structure. Optimization technique based on the Genetic Algorithm (GA) is used to obtain an improved in return loss and transmission signal. The unit cell of FSS is designed and simulated using the CST Microwave Studio software at based on industrial, scientific and medical bands (ISM). A unique and irregular shape of an energy saving glass coating structure is obtained with lower return loss and improved transmission coefficient.

  6. Application of genetic algorithm to the design optimization of complex energy saving glass coating structure

    International Nuclear Information System (INIS)

    Johar, F M; Azmin, F A; Suaidi, M K; Ahmad, B H; Aziz, M Z A Abd; Salleh, S N; Shukor, M Md; Shibghatullah, A S

    2014-01-01

    Attenuation of GSM, GPS and personal communication signal leads to poor communication inside the building using regular shapes of energy saving glass coating. Thus, the transmission is very low. A brand new type of band pass frequency selective surface (FSS) for energy saving glass application is presented in this paper for one unit cell. Numerical Periodic Method of Moment approach according to a previous study has been applied to determine the new optimum design of one unit cell energy saving glass coating structure. Optimization technique based on the Genetic Algorithm (GA) is used to obtain an improved in return loss and transmission signal. The unit cell of FSS is designed and simulated using the CST Microwave Studio software at based on industrial, scientific and medical bands (ISM). A unique and irregular shape of an energy saving glass coating structure is obtained with lower return loss and improved transmission coefficient.

  7. Decision support model for establishing the optimal energy retrofit strategy for existing multi-family housing complexes

    International Nuclear Information System (INIS)

    Hong, Taehoon; Koo, Choongwan; Kim, Hyunjoong; Seon Park, Hyo

    2014-01-01

    The number of multi-family housing complexes (MFHCs) over 15 yr old in South Korea is expected to exceed 5 million by 2015. Accordingly, the demand for energy retrofit in the deteriorating MFHCs is rapidly increasing. This study aimed to develop a decision support model for establishing the optimal energy retrofit strategy for existing MFHCs. It can provide clear criteria for establishing the carbon emissions reduction target (CERT) and allow efficient budget allocation for conducting the energy retrofit. The CERT for “S” MFHC, one of MFHCs located in Seoul, as a case study, was set at 23.0% (electricity) and 27.9% (gas energy). In the economic and environmental assessment, it was determined that scenario #12 was the optimal scenario (ranked second with regard to NPV 40 (net present value at year 40) and third with regard to SIR 40 (saving to investment ratio at year 40). The proposed model could be useful for owners, construction managers, or policymakers in charge of establishing energy retrofit strategy for existing MFHCs. It could allow contractors in a competitive bidding process to rationally establish the CERT and select the optimal energy retrofit strategy. It can be also applied to any other country or sector in a global environment. - Highlights: • The proposed model was developed to establish the optimal energy retrofit strategy. • Advanced case-based reasoning was applied to establish the community-based CERT. • Energy simulation was conducted to analyze the effects of energy retrofit strategy. • The optimal strategy can be finally selected based on the LCC and LCCO 2 analysis. • It could be extended to any other country or sector in the global environment

  8. A Complex Network Approach for the Estimation of the Energy Demand of Electric Mobility.

    Science.gov (United States)

    Mureddu, Mario; Facchini, Angelo; Scala, Antonio; Caldarelli, Guido; Damiano, Alfonso

    2018-01-10

    We study how renewable energy impacts regional infrastructures considering the full deployment of electric mobility at that scale. We use the Sardinia Island in Italy as a paradigmatic case study of a semi-closed system both by energy and mobility point of view. Human mobility patterns are estimated by means of census data listing the mobility dynamics of about 700,000 vehicles, the energy demand is estimated by modeling the charging behavior of electric vehicle owners. Here we show that current renewable energy production of Sardinia is able to sustain the commuter mobility even in the theoretical case of a full switch from internal combustion vehicles to electric ones. Centrality measures from network theory on the reconstructed network of commuter trips allows to identify the most important areas (hubs) involved in regional mobility. The analysis of the expected energy flows reveals long-range effects on infrastructures outside metropolitan areas and points out that the most relevant unbalances are caused by spatial segregation between production and consumption areas. Finally, results suggest the adoption of planning actions supporting the installation of renewable energy plants in areas mostly involved by the commuting mobility, avoiding spatial segregation between consumption and generation areas.

  9. Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations

    DEFF Research Database (Denmark)

    Poongavanam, Vasanthanathan; Olsen, Lars; Jørgensen, Flemming Steen

    2010-01-01

    , and methods based on statistical mechanics. In the present investigation, we started from an LIE model to predict the binding free energy of structurally diverse compounds of cytochrome P450 1A2 ligands, one of the important human metabolizing isoforms of the cytochrome P450 family. The data set includes both...... substrates and inhibitors. It appears that the electrostatic contribution to the binding free energy becomes negligible in this particular protein and a simple empirical model was derived, based on a training set of eight compounds. The root mean square error for the training set was 3.7 kJ/mol. Subsequent......Predicting binding affinities for receptor-ligand complexes is still one of the challenging processes in computational structure-based ligand design. Many computational methods have been developed to achieve this goal, such as docking and scoring methods, the linear interaction energy (LIE) method...

  10. Mastering the complexity of the energy turnaround. Outcome of the Energy Competence Initiative; Die Komplexitaet der Energiewende bewaeltigen. Ergebnisse der Kompetenzinitiative Energie

    Energy Technology Data Exchange (ETDEWEB)

    Rolle, Carsten; Niessen, Philipp [BDI, Berlin (Germany). Abt. Energie- und Klimapolitik

    2013-06-15

    The energy turnaround is one of the central economic and political projects of the German federal government and goes far beyond a mere replacement of Germany's power plant fleet. This insight has only slowly emerged in the course of the past months. It led the German industry last year to systemically analyse the multifarious effects of the energy turnaround within the framework of the Energy Competence Initiative. Different implications were considered, reaching beyond the sphere of the energy economy itself, and making use of the sector-specific expertise of all associations organised within the Federation of German Industry (BDI) as well as the support of scientists and consultants. The goal was to take stock of the wider effects of the energy turnaround on the German industry and on Germany as an industrial site. In the spring of 2013 the results of two empirical studies on the topic became available. This article contains selected results from these two studies.

  11. Structural complexity and land-surface energy exchange along a gradient from arctic tundra to boreal forest

    Science.gov (United States)

    Thompson, C.; Beringer, J.; Chapin, F. S.; McGuire, A.D.

    2004-01-01

    Question: Current climate changes in the Alaskan Arctic, which are characterized by increases in temperature and length of growing season, could alter vegetation structure, especially through increases in shrub cover or the movement of treeline. These changes in vegetation structure have consequences for the climate system. What is the relationship between structural complexity and partitioning of surface energy along a gradient from tundra through shrub tundra to closed canopy forest? Location: Arctic tundra-boreal forest transition in the Alaskan Arctic. Methods: Along this gradient of increasing canopy complexity, we measured key vegetation characteristics, including community composition, biomass, cover, height, leaf area index and stem area index. We relate these vegetation characteristics to albedo and the partitioning of net radiation into ground, latent, and sensible heating fluxes. Results: Canopy complexity increased along the sequence from tundra to forest due to the addition of new plant functional types. This led to non-linear changes in biomass, cover, and height in the understory. The increased canopy complexity resulted in reduced ground heat fluxes, relatively conserved latent heat fluxes and increased sensible heat fluxes. The localized warming associated with increased sensible heating over more complex canopies may amplify regional warming, causing further vegetation change in the Alaskan Arctic.

  12. Definition of an intramolecular Eu-to-Eu energy transfer within a discrete [Eu2L] complex in solution.

    Science.gov (United States)

    Nonat, Aline; Regueiro-Figueroa, Martín; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; Charbonnière, Loïc J

    2012-06-25

    -to-Eu energy-transfer process. A mathematical model was developed to interpret the experimental data, leading to energy-transfer rates of 0.98 ms(-1) for the transfer from the site with q=0 to that with q=2 and vice versa. Hartree-Fock (HF) and density functional theory (DFT) calculations performed at the B3LYP level were used to investigate the conformation of the complex in solution, and to estimate the intermetallic distance, which provided Förster radii (R(0)) values of 8.1 Å for the energy transfer from site I to site II, and 6.8 Å for the reverse energy transfer. These results represent the first evidence of an intramolecular energy-transfer equilibrium between two identical lanthanide cations within a discrete molecular complex in solution. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. A model for predicting the potential diffusion of solar energy systems in complex urban environments

    International Nuclear Information System (INIS)

    La Gennusa, Maria; Lascari, Giovanni; Rizzo, Gianfranco; Scaccianoce, Gianluca; Sorrentino, Giancarlo

    2011-01-01

    The necessity to reduce greenhouse gases emission produced by energy building consumptions and to cut the energy bill (mainly due to the use of fossil sources) leads to the employment of renewable energy sources in new planned scenarios. In particular, more and more often municipal energy and environmental plans pay great attention to the possibilities of employment of the solar technologies at urban scale. Solar thermal and photovoltaic (PV) systems are, by far, the most suitable tools to be utilized in urban areas. Obviously, the proper adoption of such systems in buildings does call for the availability of calculation methods suitable to provide the actual level of exploitation of solar energy in urban layouts. In this work, a procedure for evaluating the geographical energy potential of building roofs in urban areas is proposed; in particular, the amount of surface on the roof that could be used for the installation of systems able to capture solar radiation for the energy production is investigated. The proposed procedure is based on the use of the GIS technology and 3D cartography. The effectiveness of the proposed method is assessed by means of an application to the town of Palermo (Italy). - Highlights: → The GIS techniques allow to analyze various future scenarios about urban planning. → We propose a procedure for assessing the extension of superficial urban areas useable for the installation of solar systems. → This procedure allow to compile a scale of priority of intervention. → The cost for financing such interventions is compared to the penalty to pay for not achieving the Kyoto goals.

  14. Measurement of the total solar energy transmittance (g-value) for complex glazings

    DEFF Research Database (Denmark)

    Duer, Karsten

    1999-01-01

    Four different complex glazings have been investigated in the Danish experimental setup METSET.The purpose of the measurements is to increase the confidence in the calorimetric measurements and to perform measurements and corrections according to a method developed in the ALTSET project...

  15. Exciton Structure and Energy Transfer in the Fenna-Matthews-Olson Complex

    Czech Academy of Sciences Publication Activity Database

    Thyrhaug, E.; Žídek, K.; Dostál, J.; Bína, David; Zigmantas, D.

    2016-01-01

    Roč. 7, č. 9 (2016), s. 1653-1660 ISSN 1948-7185 R&D Projects: GA ČR GBP501/12/G055 Institutional support: RVO:60077344 Keywords : FMO antenna comlexes * Green sulfur bacteria * Photosynthetic complexes Subject RIV: BO - Biophysics Impact factor: 9.353, year: 2016

  16. Functionality, Complexity, and Approaches to Assessment of Resilience Under Constrained Energy and Information

    Science.gov (United States)

    2015-03-26

    Levels . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 2. Behavioral complexity of car given particular scenarios...available with certain state values. For example, an aircraft is unable to rise vertically unless state variables such as speed, aerodynamic surface positions...greater than zero. For a car travelling along a road, a functional interaction occurs when the car stops, starts again, or turns. One additional

  17. The fine tuning of carotenoid–chlorophyll interactions in light-harvesting complexes: an important requisite to guarantee efficient photoprotection via triplet–triplet energy transfer in the complex balance of the energy transfer processes

    International Nuclear Information System (INIS)

    Di Valentin, Marilena; Carbonera, Donatella

    2017-01-01

    Triplet–triplet energy transfer (TTET) from the chlorophyll to the carotenoid triplet state is the process exploited by photosynthetic systems to protect themselves from singlet oxygen formation under light-stress conditions. A deep comprehension of the molecular strategies adopted to guarantee TTET efficiency, while at the same time maintaining minimal energy loss and efficient light-harvesting capability, is still lacking. The paramagnetic nature of the triplet state makes electron paramagnetic resonance (EPR) the method of choice when investigating TTET. In this review, we focus on our extended comparative study of two photosynthetic antenna complexes, the Peridinin–chlorophyll a -protein of dinoflagellates and the light-harvesting complex II of higher plants, in order to point out important aspects of the molecular design adopted in the photoprotection strategy. We have demonstrated that a proper analysis of the EPR data allows one to identify the pigments involved in TTET and, consequently, gain an insight into the structure of the photoprotective sites. The structural information has been complemented by a detailed description of the electronic structure provided by hyperfine spectroscopy. All these elements represent the fundamental building blocks toward a deeper understanding of the requirements for efficient photoprotection, which is fundamental to guarantee the prolonged energy conversion action of photosynthesis. (topical review)

  18. The Moroccan eastern region, a green energy complex for sustainable development and advanced decentralization

    Science.gov (United States)

    Belhaj, Siham; Bahi, Lahcen; Akhssas, Ahmed; Jalal El hamidi, Mohamed

    2017-04-01

    The Moroccan eastern region is characterized by: A total population 2,314,346 inhabitants (in 2014) (6.84% of the population of Morocco) by a density 24 inhabitants per km2. The population structure is as follows: 30% under 15 years of age, 50% of the population is under 25 years of age, 61% of working age (15-60 years), 9% in the third age group (over than 60 years). An urbanization rate of 58.5% with an economic profile GDP: 44.2 MMDH / year. GDP growth rate: 10.8% .The Oriental contribution to the formation of the national GDP is 4.9%, in the region we have the predominance of two activities: Tertiary (51.4%) and Secondary activities (22.3%). Concerning the clean resources of energy we can mention: - Abundant solar resources because the average radiation on a surface inclined at 30 ° is 2,082 kWh / (m2 / year); An important potential of the wind distributed in: offshore at sea along the Mediterranean facade (197 km of coast) and the onshore wind along the ridges of the mountains; Large biomass potential for biogas production; A precise zoning of the territories destined to shelter installations of production of the electricity of solar. We will in this work express the importance of this diversity of the clean energy resources -projects- cited in the region of the east to develop: Production of solar photovoltaic energy; Production of solar and thermal energy; Hydropower production; the valorization of biomass (biogas, biofuel, etc.); Production of geothermal energy; Keywords: Oujda, Sustainable Development, Energy

  19. Baikal-1 stand complex. Preparation and carrying out of the first energy start-up of the IVG-1 reactor

    International Nuclear Information System (INIS)

    Tikhomirov, L.N.

    1995-01-01

    The IVG-1 reactor was a first ground prototype of nuclear rocket engine. The reactor was built on the site 10 of the Semipalatinsk test site. Since the first energy start-up in 1975 the reactor was exploited 14 years till its modernization in 1989. The Bajkal-1 stand complex was designed and built for the carrying out of tests for fuel assemblies of different modifications. The energy start-up has been sum of long creative work of different research and constructive staffs on creation of high-temperature gas-cooled IVG-1 reactor. The history of construction, project and assembling of the stand complex is presented. Complex start and put works were carried out in the December 1974. Control physical start-up was carried out in the January 1975. Cold start-up by hydrogen was in the February 1975. Hot start-up was in the March 1975. The result of the hot start-up was experimental confirmation of metodics of thermohydrovlical estimations. 2 figs., 3 tabs

  20. Department of Energy environmental management complex-wide integration using systems engineering

    International Nuclear Information System (INIS)

    Fairbourn, P.

    1997-01-01

    A systems engineering approach was successfully used to recommend changes to environmental management activities across the DOE Complex. A team of technical experts and systems engineers developed alternatives that could save tax payers billions of dollars if the barriers are removed to allow complete implementation. The alternatives are technically-based and defensible, and are being worked through the stakeholder review process. The integration process and implementing project structure are both discussed

  1. Wind, Sun and Water: Complexities of Alternative Energy Development in Rural Northern Peru

    Science.gov (United States)

    Love, Thomas; Garwood, Anna

    2011-01-01

    Drawing on recent research with NGO-driven projects in rural Cajamarca, Peru, we examine the paradoxes of relying on wind, solar and micro-hydro generation of electricity for rural community development. In spite of cost, vagaries of these energy resources and limited material benefits, especially with wind and solar systems, villagers are eagerly…

  2. Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications

    Czech Academy of Sciences Publication Activity Database

    Řezáč, Jan; Hobza, Pavel

    2016-01-01

    Roč. 116, č. 9 (2016), s. 5038-5071 ISSN 0009-2665 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : density functional theory * coupled cluster theory * intermolecular interaction energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 47.928, year: 2016

  3. Hypothalamic roles of mTOR complex I: integration of nutrient and hormone signals to regulate energy homeostasis.

    Science.gov (United States)

    Hu, Fang; Xu, Yong; Liu, Feng

    2016-06-01

    Mammalian or mechanistic target of rapamycin (mTOR) senses nutrient, energy, and hormone signals to regulate metabolism and energy homeostasis. mTOR activity in the hypothalamus, which is associated with changes in energy status, plays a critical role in the regulation of food intake and body weight. mTOR integrates signals from a variety of "energy balancing" hormones such as leptin, insulin, and ghrelin, although its action varies in response to these distinct hormonal stimuli as well as across different neuronal populations. In this review, we summarize and highlight recent findings regarding the functional roles of mTOR complex 1 (mTORC1) in the hypothalamus specifically in its regulation of body weight, energy expenditure, and glucose/lipid homeostasis. Understanding the role and underlying mechanisms behind mTOR-related signaling in the brain will undoubtedly pave new avenues for future therapeutics and interventions that can combat obesity, insulin resistance, and diabetes. Copyright © 2016 the American Physiological Society.

  4. Recoil properties of radionuclides formed in photospallation reactions on complex nuclei at intermediate energies

    International Nuclear Information System (INIS)

    Haba, Hiromitsu; Oura, Yasuji; Shibata, Seiichi; Furukawa, Michiaki; Fujiwara, Ichiro

    2001-01-01

    A short review is given on our studies of recoil properties of radionuclides formed in photospallation reactions induced by bremsstrahlung of end-point energies (E 0 ) from 600 to 1100 MeV, in which the thick-target thick-catcher method was employed. The measurements have been successful on 14, 24, 26, 31, 21 and 20 nuclides from nat V, nat Cu, 93 Nb, nat Ag, nat Ta, and 197 Au, respectively. Reflecting the resonance character in a photonuclear reaction, the mean ranges FW and BW in the forward and backward directions, respectively, are E 0 -independent at the studied energies and classified into two groups accounting for the (γ, xn) (x ≥ 1) and (γ, xnyp) (x, y ≥ 1) processes. The forward-to-backward ratios (F/B) are independent of the mass difference (ΔA) between a product (A p ) and a target (A t ) and also of A t . The kinematic properties of the product nuclei were analyzed by the two-step vector velocity model. The forward velocity ν after the first step of photon-reaction is quite different from that of proton-reaction at proton energies of E p ≤ 3 GeV, though the difference disappears at higher energies. On the other hand, the mean kinetic energy T of the residual nucleus in the second step is almost equal to that of proton-reaction irrespective of E p . A comparison with T values calculated by the PICA (Photon-Induced Intranuclear Cascade Analysis) code at E 0 =400 MeV was also performed. It was found that although the code well reproduces the experimental results of nat V and nat Cu, the same calculation for heavier targets gives T values lower than the experimental results, indicating some nuclear-structure effect, such as a medium effect notably at A t ≥ 100. An average kinetic energy carried off by the emitted particles ε s =T/(ΔA/A t ) of both photon- and proton-reactions seem to increase with an increase of A t up to around A t =100, and become almost constant at larger A t , implying some change in the nuclear structure effect in this

  5. Chirality of weakly bound complexes: The potential energy surfaces for the hydrogen-peroxide−noble-gas interactions

    Energy Technology Data Exchange (ETDEWEB)

    Roncaratti, L. F., E-mail: lz@fis.unb.br; Leal, L. A.; Silva, G. M. de [Instituto de Física, Universidade de Brasília, 70910 Brasília (Brazil); Pirani, F. [Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Aquilanti, V. [Dipartimento di Chimica, Biologia e Biotecnologie, Università di Perugia, 06123 Perugia (Italy); Instituto de Física, Universidade Federal da Bahia, 40210 Salvador (Brazil); Gargano, R. [Instituto de Física, Universidade de Brasília, 70910 Brasília (Brazil); Departments of Chemistry and Physics, University of Florida, Quantum Theory Project, Gainesville, Florida 32611 (United States)

    2014-10-07

    We consider the analytical representation of the potential energy surfaces of relevance for the intermolecular dynamics of weakly bound complexes of chiral molecules. In this paper we study the H{sub 2}O{sub 2}−Ng (Ng=He, Ne, Ar, Kr, and Xe) systems providing the radial and the angular dependence of the potential energy surface on the relative position of the Ng atom. We accomplish this by introducing an analytical representation which is able to fit the ab initio energies of these complexes in a wide range of geometries. Our analysis sheds light on the role that the enantiomeric forms and the symmetry of the H{sub 2}O{sub 2} molecule play on the resulting barriers and equilibrium geometries. The proposed theoretical framework is useful to study the dynamics of the H{sub 2}O{sub 2} molecule, or other systems involving O–O and S–S bonds, interacting by non-covalent forces with atoms or molecules and to understand how the relative orientation of the O–H bonds changes along collisional events that may lead to a hydrogen bond formation or even to selectivity in chemical reactions.

  6. Development of an energy module for the multi-objective optimisation of complex distillation processes

    Energy Technology Data Exchange (ETDEWEB)

    Tijani, Alhassan Salami

    2010-06-04

    Reduction of energy consumption has increasingly come into sharp focus in the chemical process industry. This is of great value not only for existing plant but also for the development of new processes. Therefore, the challenge for process design engineers to develop an integrated chemical process that simultaneously satisfies economic and environmental objectives has increased considerably. Particularly, multi-objective optimization in the chemical industry has become increasingly popular during the last decade. The main problem lies, in selecting the alternative best design during decision making with multiple and often conflicting objectives. This thesis work presents a methodology for the multi-objective optimization of process design alternatives under economic and environmental objectives and also to establish the linkage between exergy and the environment. Four distillation units design alternatives with increasing level of heat integration were considered. Each design is analysed from exergy, potential environmental impact (PEI) and economic point of view. A non-dominated solution known as the ''Pareto optimal solution'' is generated for decision making. The thermodynamic efficiency indicates where exergy losses occur. The demand for industrial process heat by means of solar energy has generated much interest because it offers an innovative way to reduce operating cost and improve clean renewable electric power. Concentrated Solar Thermal Power (CSP) can provide solution to global energy problems within a relatively short time and is capable of contributing to carbon dioxide reduction, which is an important step towards zero emissions in the process industries. This work provides an overview of a simulation model to evaluate the environmental and economic performance of two case studies of solar thermal power plants. A methodology is presented to integrate solar thermal power plant into industrial processes and this is then compared with an existing

  7. Development of an energy module for the multi-objective optimisation of complex distillation processes

    Energy Technology Data Exchange (ETDEWEB)

    Tijani, Alhassan Salami

    2010-06-04

    Reduction of energy consumption has increasingly come into sharp focus in the chemical process industry. This is of great value not only for existing plant but also for the development of new processes. Therefore, the challenge for process design engineers to develop an integrated chemical process that simultaneously satisfies economic and environmental objectives has increased considerably. Particularly, multi-objective optimization in the chemical industry has become increasingly popular during the last decade. The main problem lies, in selecting the alternative best design during decision making with multiple and often conflicting objectives. This thesis work presents a methodology for the multi-objective optimization of process design alternatives under economic and environmental objectives and also to establish the linkage between exergy and the environment. Four distillation units design alternatives with increasing level of heat integration were considered. Each design is analysed from exergy, potential environmental impact (PEI) and economic point of view. A non-dominated solution known as the ''Pareto optimal solution'' is generated for decision making. The thermodynamic efficiency indicates where exergy losses occur. The demand for industrial process heat by means of solar energy has generated much interest because it offers an innovative way to reduce operating cost and improve clean renewable electric power. Concentrated Solar Thermal Power (CSP) can provide solution to global energy problems within a relatively short time and is capable of contributing to carbon dioxide reduction, which is an important step towards zero emissions in the process industries. This work provides an overview of a simulation model to evaluate the environmental and economic performance of two case studies of solar thermal power plants. A methodology is presented to integrate solar thermal power plant into industrial processes and this is then compared with

  8. Analytical use of multi-protein Fluorescence Resonance Energy Transfer to demonstrate membrane-facilitated interactions within cytokine receptor complexes.

    Science.gov (United States)

    Krause, Christopher D; Izotova, Lara S; Pestka, Sidney

    2013-10-01

    Experiments measuring Fluorescence Resonance Energy Transfer (FRET) between cytokine receptor chains and their associated proteins led to hypotheses describing their organization in intact cells. These interactions occur within a larger protein complex or within a given nano-environment. To illustrate this complexity empirically, we developed a protocol to analyze FRET among more than two fluorescent proteins (multi-FRET). In multi-FRET, we model FRET among more than two fluorophores as the sum of all possible pairwise interactions within the complex. We validated our assumption by demonstrating that FRET among pairs within a fluorescent triplet resembled FRET between each pair measured in the absence of the third fluorophore. FRET between two receptor chains increases with increasing FRET between the ligand-binding chain (e.g., IFN-γR1, IL-10R1 and IFN-λR1) and an acylated fluorescent protein that preferentially resides within subsections of the plasma membrane. The interaction of IL-10R2 with IFN-λR1 or IL-10R1 results in decreased FRET between IL-10R2 and the acylated fluorescent protein. Finally, we analyzed FRET among four fluorescent proteins to demonstrate that as FRET between IFN-γR1 and IFN-γR2 or between IFN-αR1 and IFN-αR2c increases, FRET among other pairs of proteins changes within each complex. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. Electrically active induced energy levels and metastability of B and N vacancy-complexes in 4H-SiC.

    Science.gov (United States)

    Igumbor, E; Olaniyan, O; Mapasha, R E; Danga, H T; Omotoso, E; Meyer, W E

    2018-05-10

    Electrically active induced energy levels in semiconductor devices could be beneficial to the discovery of an enhanced p or n-type semiconductor. Nitrogen (N) implanted into 4H-SiC is a high energy process that produced high defect concentrations which could be removed during dopant activation annealing. On the other hand, boron (B) substituted for silicon in SiC causes a reduction in the number of defects. This scenario leads to a decrease in the dielectric properties and induced deep donor and shallow acceptor levels. Complexes formed by the N, such as the nitrogen-vacancy centre, have been reported to play a significant role in the application of quantum bits. In this paper, results of charge states thermodynamic transition level of the N and B vacancy-complexes in 4H-SiC are presented. We explore complexes where substitutional N[Formula: see text]/N[Formula: see text] or B[Formula: see text]/B[Formula: see text] sits near a Si (V[Formula: see text]) or C (V[Formula: see text]) vacancy to form vacancy-complexes (N[Formula: see text]V[Formula: see text], N[Formula: see text]V[Formula: see text], N[Formula: see text]V[Formula: see text], N[Formula: see text]V[Formula: see text], B[Formula: see text]V[Formula: see text], B[Formula: see text]V[Formula: see text], B[Formula: see text]V[Formula: see text] and B[Formula: see text]V[Formula: see text]). The energies of formation of the N related vacancy-complexes showed the N[Formula: see text]V[Formula: see text] to be energetically stable close to the valence band maximum in its double positive charge state. The N[Formula: see text]V[Formula: see text] is more energetically stable in the double negative charge state close to the conduction band minimum. The N[Formula: see text]V[Formula: see text] on the other hand, induced double donor level and the N[Formula: see text]V[Formula: see text] induced a double acceptor level. For B related complexes, the B[Formula: see text]V[Formula: see text] and B[Formula: see text

  10. Excitation energy transfer in molecular complexes: transport processes, optical properties and effects of nearby placed metal nano-particles

    Science.gov (United States)

    May, Volkhard; Megow, Jörg; Zelinskyi, Iaroslav

    2012-04-01

    Excitation energy transfer (EET) in molecular systems is studied theoretically. Chromophore complexes are considered which are formed by a butanediamine dendrimer with four pheophorbide-a molecules. To achieve a description with an atomic resolution and to account for the effect of an ethanol solvent a mixed quantum classical methodology is utilized. Details of the EET and spectra of transient anisotropy showing signatures of EET are presented. A particular control of intermolecular EET is achieved by surface plasmons of nearby placed metal nanoparticles (MNP). To attain a quantum description of the molecule-MNP system a microscopic theory is introduced. As a particular application surface plasmon affected absorption spectra of molecular complexes placed in the proximity of a spherical MNP are discussed.

  11. Structural differences of matrix metalloproteinases. Homology modeling and energy minimization of enzyme-substrate complexes

    DEFF Research Database (Denmark)

    Terp, G E; Christensen, I T; Jørgensen, Flemming Steen

    2000-01-01

    Matrix metalloproteinases are extracellular enzymes taking part in the remodeling of extracellular matrix. The structures of the catalytic domain of MMP1, MMP3, MMP7 and MMP8 are known, but structures of enzymes belonging to this family still remain to be determined. A general approach...... to the homology modeling of matrix metalloproteinases, exemplified by the modeling of MMP2, MMP9, MMP12 and MMP14 is described. The models were refined using an energy minimization procedure developed for matrix metalloproteinases. This procedure includes incorporation of parameters for zinc and calcium ions...... in the AMBER 4.1 force field, applying a non-bonded approach and a full ion charge representation. Energy minimization of the apoenzymes yielded structures with distorted active sites, while reliable three-dimensional structures of the enzymes containing a substrate in active site were obtained. The structural...

  12. A 10 TW pulsed energy complex PIRIT-2000 for investigation of short-wave radiation

    Energy Technology Data Exchange (ETDEWEB)

    Popkov, N F; Ryaslov, E A; Kargin, V I; Pikar` , A S; Vorontsov, V I; Kotel` nikov, D V; Melkozerov, A V [All-Russian Scientific Research Inst. of Experimental Physics, Sarov (Russian Federation)

    1997-12-31

    The results of investigation of a pulsed plasma x-ray source at the PIRIT-2000 fast operating capacitor bank are reported. The maximum energy stored in a primary 54-module capacitive storage at the output voltage of 500 kV reaches 2 MJ. The capacitor bank energizes a vacuum inductive storage, which is commutated by a plasma opening switch. The plasma diode consists of a tube cathode of diameter 15 cm and of a larger tube anode with six plasma injecting guns. The current amplitude and the current rise time at the plasma load amounts to 4 MA and 150 ns, respectively. The x-ray doses were measured by means of thermoluminescent dosemeters and the integral radiation output by means of a thermocouple calorimeter. The radiation output as high as 100 kJ was achieved at the stored energy of 1 MJ. (J.U.). 4 figs., 4 refs.

  13. Communication: Theoretical prediction of free-energy landscapes for complex self-assembly

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, William M.; Reinhardt, Aleks; Frenkel, Daan [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2015-01-14

    We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity of the target assembly. By considering the designed interactions separately from weaker, incidental interactions, our approach yields predictions for the equilibrium yield and nucleation barriers. These predictions are in good agreement with corresponding Monte Carlo simulations. We show that a few fundamental properties of the connectivity graph determine the most prominent features of the assembly thermodynamics. Surprisingly, we find that polydispersity in the strengths of the designed interactions stabilizes intermediate structures and can be used to sculpt the free-energy landscape for self-assembly. Finally, we demonstrate that weak incidental interactions can preclude assembly at equilibrium due to the combinatorial possibilities for incorrect association.

  14. Excitonic energy transfer in light-harvesting complexes in purple bacteria

    International Nuclear Information System (INIS)

    Ye Jun; Sun Kewei; Zhao Yang; Lee, Chee Kong; Yu Yunjin; Cao Jianshu

    2012-01-01

    Two distinct approaches, the Frenkel-Dirac time-dependent variation and the Haken-Strobl model, are adopted to study energy transfer dynamics in single-ring and double-ring light-harvesting (LH) systems in purple bacteria. It is found that the inclusion of long-range dipolar interactions in the two methods results in significant increase in intra- or inter-ring exciton transfer efficiency. The dependence of exciton transfer efficiency on trapping positions on single rings of LH2 (B850) and LH1 is similar to that in toy models with nearest-neighbor coupling only. However, owing to the symmetry breaking caused by the dimerization of BChls and dipolar couplings, such dependence has been largely suppressed. In the studies of coupled-ring systems, both methods reveal an interesting role of dipolar interactions in increasing energy transfer efficiency by introducing multiple intra/inter-ring transfer paths. Importantly, the time scale (4 ps) of inter-ring exciton transfer obtained from polaron dynamics is in good agreement with previous studies. In a double-ring LH2 system, non-nearest neighbor interactions can induce symmetry breaking, which leads to global and local minima of the average trapping time in the presence of a non-zero dephasing rate, suggesting that environment dephasing helps preserve quantum coherent energy transfer when the perfect circular symmetry in the hypothetic system is broken. This study reveals that dipolar coupling between chromophores may play an important role in the high energy transfer efficiency in the LH systems of purple bacteria and many other natural photosynthetic systems.

  15. Excitonic energy transfer in light-harvesting complexes in purple bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Ye Jun; Sun Kewei; Zhao Yang; Lee, Chee Kong [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Yu Yunjin [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); College of Physics Science and Technology, Shenzhen University, Guangdong 518060 (China); Cao Jianshu [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2012-06-28

    Two distinct approaches, the Frenkel-Dirac time-dependent variation and the Haken-Strobl model, are adopted to study energy transfer dynamics in single-ring and double-ring light-harvesting (LH) systems in purple bacteria. It is found that the inclusion of long-range dipolar interactions in the two methods results in significant increase in intra- or inter-ring exciton transfer efficiency. The dependence of exciton transfer efficiency on trapping positions on single rings of LH2 (B850) and LH1 is similar to that in toy models with nearest-neighbor coupling only. However, owing to the symmetry breaking caused by the dimerization of BChls and dipolar couplings, such dependence has been largely suppressed. In the studies of coupled-ring systems, both methods reveal an interesting role of dipolar interactions in increasing energy transfer efficiency by introducing multiple intra/inter-ring transfer paths. Importantly, the time scale (4 ps) of inter-ring exciton transfer obtained from polaron dynamics is in good agreement with previous studies. In a double-ring LH2 system, non-nearest neighbor interactions can induce symmetry breaking, which leads to global and local minima of the average trapping time in the presence of a non-zero dephasing rate, suggesting that environment dephasing helps preserve quantum coherent energy transfer when the perfect circular symmetry in the hypothetic system is broken. This study reveals that dipolar coupling between chromophores may play an important role in the high energy transfer efficiency in the LH systems of purple bacteria and many other natural photosynthetic systems.

  16. Bioinspired Organic PV Cells Using Photosynthetic Pigment Complex for Energy Harvesting Materials

    Science.gov (United States)

    2010-05-10

    the primary reactions of bacterial photosynthesis . The structure of the reaction center (RC, the first membrane protein to have its structure...most stable and well organized. The best results were only obtained with the subset Random immobilization LH2 LH1-RC AFM image of a bacterial ...Green and Technology, Zero-Carbon Energy Kyoto 2009, Springer, p.129-134 (2010). Reviews: 13 1. K. Iida, T. Dewa, *M. Nango, “Assembly of Bacterial

  17. Methodological possibilities for using the electron and ion energy balance in thermospheric complex measurements

    International Nuclear Information System (INIS)

    Serafimov, K.B.; Serafimova, M.K.

    1991-01-01

    Combination of ground based measurements for determination of basic thermospheric characteristics is proposed . An expression for the energy transport between components of space plasma is also derived and discussed within the framework of the presented methodology which could be devided into the folowing major sections: 1) application of ionosonde, absorption measurements, TEC-measurements using Faradey radiation or the differential Doppler effect; 2) ground-based airglow measurements; 3) airglow and palsma satelite measurements. 9 refs

  18. A Porphyrin Complex as a Self-Conditioned Electrode Material for High-Performance Energy Storage.

    Science.gov (United States)

    Gao, Ping; Chen, Zhi; Zhao-Karger, Zhirong; Mueller, Jonathan E; Jung, Christoph; Klyatskaya, Svetlana; Diemant, Thomas; Fuhr, Olaf; Jacob, Timo; Behm, R Jürgen; Ruben, Mario; Fichtner, Maximilian

    2017-08-21

    The novel functionalized porphyrin [5,15-bis(ethynyl)-10,20-diphenylporphinato]copper(II) (CuDEPP) was used as electrodes for rechargeable energy-storage systems with an extraordinary combination of storage capacity, rate capability, and cycling stability. The ability of CuDEPP to serve as an electron donor or acceptor supports various energy-storage applications. Combined with a lithium negative electrode, the CuDEPP electrode exhibited a long cycle life of several thousand cycles and fast charge-discharge rates up to 53 C and a specific energy density of 345 Wh kg -1 at a specific power density of 29 kW kg -1 . Coupled with a graphite cathode, the CuDEPP anode delivered a specific power density of 14 kW kg -1 . Whereas the capacity is in the range of that of ordinary lithium-ion batteries, the CuDEPP electrode has a power density in the range of that of supercapacitors, thus opening a pathway toward new organic electrodes with excellent rate capability and cyclic stability. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Hydration energies and specific influence of oxo complexes and high coordination numbers on the predicted chemistry of superheavy elements

    International Nuclear Information System (INIS)

    Jorgensen, C.K.; Penneman, R.A.

    1975-01-01

    On the basis of an analysis of the known ionization energies of gaseous ions and aqua ions of the 3d, 4f, and 6d transition groups and the radius effects, the chemistry of the superheavy elements is predicted. The formation of aqua ion and oxo complexes in the elements with Z below 121 is considered. It is probable that the series from 123 to 140 constitute a close analogy to the lanthanides with Th-like chemistry. Above Z = 140 the elements will probably displace a transition group behavior. A brief comment is made on the analytical aspects to be expected. (U.S.)

  20. Energy efficiency: a necessity in complex surroundings; Eficiencia energetica: una necesidad en un entorno complejo

    Energy Technology Data Exchange (ETDEWEB)

    Menendez Perez, E. [Alcion Ingenieria Quimica, S.A. (Spain)

    2005-10-15

    A global analysis of the energy system with reference to the energy case of Spain in comparison to the yield of the European Union is proposed. The analysis discusses the problems originated by the climatic change and exhibits three decisive concepts in energy efficiency (investment, good use and productivity) along with three indicating phenomena of an efficient or incompetent development (mobility, tourism and urbanism). Next, it exemplifies possible evolution criteria of the electrical production systems along with an ideal of evolution in the generation systems simultaneously mentioning measures for the emissions reduction in the industry, particularly in the automotive industry. In addition, it considers the imposition of energy taxes in front of the non fulfillment of the emissions' control as an important restrictive measurement. In between, the solution initiatives that have had a short reach, such as the Kyoto protocol, and categorical conclusions are contemplated: The cleanest energy is the one than is not consumed, not because it is not available but because it is not necessary, therefore it is not demanded. [Spanish] Se propone un analisis global del sistema de energia con referencia al caso energetico de Espana en equiparacion al rendimiento de la Union Europea. El analisis discute las problematicas originadas por el cambio climatico y exhibe tres conceptos decisivos en la eficiencia energetica (inversion, buen uso y productividad) junto con tres fenomenos indicadores de un desarrollo eficiente o incompetente (movilidad, turismo y urbanismo). Enseguida ejemplifica posibles criterios de evolucion de los sistemas de produccion electrica junto con un ideal de evolucion en los sistemas de generacion, a la vez que cita medidas para la reduccion de emisiones en la industria, particularmente en la industria automotriz. Se considera la imposicion de impuestos energeticos frente al incumplimiento en el control de emisiones como una importante medida

  1. Femtosecond pump probe spectroscopy for the study of energy transfer of light-harvesting complexes from extractions of spinach leaves

    Directory of Open Access Journals (Sweden)

    L. van Rensburg

    2010-01-01

    Full Text Available Measurements of ultrafast transient processes, of temporal durations in the picosecond and femtosecond regime, are made possible by femtosecond pump probe transient absorption spectroscopy. Such an ultrafast pump probe transient absorption setup has been implemented at the CSIR National Laser Centre and has been applied to investigate energy transfer processes in different parts of photosynthetic systems. In this paper we report on our first results obtained with Malachite green as a benchmark. Malachite green was chosen because the lifetime of its excited state is well known. We also present experimental results of the ultrafast energy transfer of light-harvesting complexes in samples prepared from spinach leaves. Various pump wavelengths in the range 600–680 nm were used; the probe was a white light continuum spanning 420–700 nm. The experimental setup is described in detail in this paper. Results obtained with these samples are consistent with those expected and achieved by other researchers in this field.

  2. The Improvement of Organizational and Functional Approaches of Implementation of Complex Energy Renovation of Odessa Historic Buildings

    Directory of Open Access Journals (Sweden)

    Posternak Irina

    2016-12-01

    Full Text Available Different systems act as one of the most promising forms of integration in the urban planning structure. In the process of formation of plans for social and economic development of major cities more often, there is a situation, when the improvement of resources efficiency needs not just a concentration of effort, but also some new and innovative forms of building production organization. It is proposed to establish in Odessa the "Corporate Scientific and Technical Complex of urban planning energy renovation" as an innovative organizational structure which practically uses the accumulated scientific and technical potential for the reconstruction of historic buildings in Odessa in 1820–920 using energy efficiency standards. It is necessary to organize courses in the form of accelerated training for workers of the occupation "master of finishing construction work" specialty "plasterer" for "KNTK GERek" effective functioning.

  3. The Enhanced Intramolecular Energy Transfer and Strengthened ff Luminescence of a Stable Helical Eu Complex in Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Yuki Hasegawa

    2018-01-01

    Full Text Available The luminescence of a Eu complex (EuL is enhanced by stabilization of the coordination structure in highly viscous ionic liquids. The EuL was found to maintain a stable single helical structure both in organic solvents and in the ionic liquids [BMIM][PF6] and [EMIM][PF6]. A colorless solution of EuL dissolved in [BMIM][PF6] exhibits bright red luminescence with a quantum yield of 32.3%, a value that is much higher than that in acetonitrile (12%. Estimated rate constants for the energy relaxation pathway indicate that the energy transfer efficiency is enhanced in [BMIM][PF6] as a result of the suppression of molecular fluctuations in the ligands. Additionally, a highly luminescent helical structure is preserved in [EMIM][PF6] up to 120 °C.

  4. Med1 subunit of the mediator complex in nuclear receptor-regulated energy metabolism, liver regeneration, and hepatocarcinogenesis.

    Science.gov (United States)

    Jia, Yuzhi; Viswakarma, Navin; Reddy, Janardan K

    2014-01-01

    Several nuclear receptors regulate diverse metabolic functions that impact on critical biological processes, such as development, differentiation, cellular regeneration, and neoplastic conversion. In the liver, some members of the nuclear receptor family, such as peroxisome proliferator-activated receptors (PPARs), constitutive androstane receptor (CAR), farnesoid X receptor (FXR), liver X receptor (LXR), pregnane X receptor (PXR), glucocorticoid receptor (GR), and others, regulate energy homeostasis, the formation and excretion of bile acids, and detoxification of xenobiotics. Excess energy burning resulting from increases in fatty acid oxidation systems in liver generates reactive oxygen species, and the resulting oxidative damage influences liver regeneration and liver tumor development. These nuclear receptors are important sensors of exogenous activators as well as receptor-specific endogenous ligands. In this regard, gene knockout mouse models revealed that some lipid-metabolizing enzymes generate PPARα-activating ligands, while others such as ACOX1 (fatty acyl-CoA oxidase1) inactivate these endogenous PPARα activators. In the absence of ACOX1, the unmetabolized ACOX1 substrates cause sustained activation of PPARα, and the resulting increase in energy burning leads to hepatocarcinogenesis. Ligand-activated nuclear receptors recruit the multisubunit Mediator complex for RNA polymerase II-dependent gene transcription. Evidence indicates that the Med1 subunit of the Mediator is essential for PPARα, PPARγ, CAR, and GR signaling in liver. Med1 null hepatocytes fail to respond to PPARα activators in that these cells do not show induction of peroxisome proliferation and increases in fatty acid oxidation enzymes. Med1-deficient hepatocytes show no increase in cell proliferation and do not give rise to liver tumors. Identification of nuclear receptor-specific coactivators and Mediator subunits should further our understanding of the complexities of metabolic

  5. Low energy costs of F1Fo ATP synthase reversal in colon carcinoma cells deficient in mitochondrial complex IV.

    Science.gov (United States)

    Zhdanov, Alexander V; Andreev, Dmitry E; Baranov, Pavel V; Papkovsky, Dmitri B

    2017-05-01

    Mitochondrial polarisation is paramount for a variety of cellular functions. Under ischemia, mitochondrial membrane potential (ΔΨm) and proton gradient (ΔpH) are maintained via a reversal of mitochondrial F1Fo ATP synthase (mATPase), which can rapidly deplete ATP and drive cells into energy crisis. We found that under normal conditions in cells with disassembled cytochrome c oxidase complex (COX-deficient HCT116), mATPase maintains ΔΨm at levels only 15-20% lower than in WT cells, and for this utilises relatively little ATP. For a small energy expenditure, mATPase enables mitochondrial ΔpH, protein import, Ca 2+ turnover, and supports free radical detoxication machinery enlarged to protect the cells from oxidative damage. Whereas in COX-deficient cells the main source of ATP is glycolysis, the ΔΨm is still maintained upon inhibition of the adenine nucleotide translocators with bongkrekic acid and carboxyatractyloside, indicating that the role of ANTs is redundant, and matrix substrate level phosphorylation alone or in cooperation with ATP-Mg/P i carriers can continuously support the mATPase activity. Intriguingly, we found that mitochondrial complex III is active, and it contributes not only to free radical production, but also to ΔΨm maintenance and energy budget of COX-deficient cells. Overall, this study demonstrates that F1Fo ATP synthase can support general mitochondrial and cellular functions, working in extremely efficient 'energy saving' reverse mode and flexibly recruiting free radical detoxication and ATP producing / transporting pathways. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. Critical coupling and coherent perfect absorption for ranges of energies due to a complex gain and loss symmetric system

    International Nuclear Information System (INIS)

    Hasan, Mohammad; Ghatak, Ananya; Mandal, Bhabani Prasad

    2014-01-01

    We consider a non-Hermitian medium with a gain and loss symmetric, exponentially damped potential distribution to demonstrate different scattering features analytically. The condition for critical coupling (CC) for unidirectional wave and coherent perfect absorption (CPA) for bidirectional waves are obtained analytically for this system. The energy points at which total absorption occurs are shown to be the spectral singular points for the time reversed system. The possible energies at which CC occurs for left and right incidence are different. We further obtain periodic intervals with increasing periodicity of energy for CC and CPA to occur in this system. -- Highlights: •Energy ranges for CC and CPA are obtained explicitly for complex WS potential. •Analytical conditions for CC and CPA for PT symmetric WS potential are obtained. •Conditions for left and right CC are shown to be different. •Conditions for CC and CPA are shown to be that of SS for the time reversed system. •Our model shows the great flexibility of frequencies for CC and CPA

  7. Regional Analysis of Long-term Local and Synoptic Effects on Wind Velocity and Energy Patterns in Complex Terrain

    Science.gov (United States)

    Belu, R.; Koracin, D. R.

    2017-12-01

    Investments in renewable energy are justified in both environmental and economic terms. Climate change risks call for mitigation strategies aimed to reduce pollutant emissions, while the energy supply is facing high uncertainty by the current or future global economic and political contexts. Wind energy is playing a strategic role in the efforts of any country for sustainable development and energy supply security. Wind energy is a weather and climate-dependent resource, having a natural spatio-temporal variability at time scales ranging from fraction of seconds to seasons and years, while at spatial scales is strongly affected by the topography and vegetation. Main objective of the study is to investigate spatio-temporal characteristics of the wind velocity in the Southwest U.S., that are relevant to wind energy assessment, analysis, development, operation, and grid integration, by using long-term multiple meteorological tower observations. Wind velocity data and other meteorological parameters from five towers, located near Tonopah, Nevada, operated between 2003 to 2008, and from three towers are located in Carson Valley, Nevada, operated between 2006 and 2014 were used in this study. Multi-annual wind speed data collected did not show significant increase trends with increasing elevation; the differences are mainly governed by the topographic complexity, including local atmospheric circulations. Auto- and cross-correlations show a strong coherence between the wind speed and direction with slowly decreasing amplitude of the multi-day periodicity with increasing lag periods. Besides pronounced diurnal periodicity at all locations, detrended fluctuation analysis also showed significant seasonal and annual periodicities, and long-memory persistence with similar characteristics. In spite of significant differences in mean wind speeds among the towers, due to location specifics, the relatively high auto- and cross-correlation coefficients among the towers indicate

  8. Inelastic scattering and endohedral complex formation in high-energy collisions of fullerenes with He

    International Nuclear Information System (INIS)

    Callahan, J.H.; Mowrey, R.C.; Ross, M.M.

    1992-01-01

    Since the original postulation of its icosahedral structure by Smalley and Kroto in 1985, C 60 (also known as buckminsterfullerene) has fascinated investigators in a variety of fields. With the publication of a synthetic method for the bulk production of C 60 , there has been an explosion of research interest in this molecule. A number of intriguing experimental results have been published, including work in the area of mass spectrometry. For example, at a workshop at the 1991 ASMS meeting, Schwartz and coworkers reported a remarkable result. They showed that high energy collisions of C 60 + with He resulted not only in the expected formation of collision-induced dissociation (CID) products such as C 56 + and C 58 + (C 2 loss is the main fragmentation pathway for C 60 ), but also in the formation of products such as C 56 + + 4 and C 58 + + 4. Careful experiments with He showed that the products were C 56 He + and C 58 He + , most likely formed by the uptake of He by C 60 + during the collision. Subsequent experiments in this laboratory were able to directly observe the C 60 He + product, the product ion shifts in kinetic energy by an amount equal to the center-of-mass collision energy, consistent with kinematic arguments. C 60 He + was also observed by the Gross group and the Schwarz group. Gross and coworkers also showed that inelastic scattering processes can be observed in the collision spectrum. More recently, the Anderson group has studied reverse processes, in which ions such as He + , Li + , and C + undergo collisions with C 60 and are taken up in the collision

  9. Ligand Conformational and Solvation/Desolvation Free Energy in Protein-Ligand Complex Formation

    Czech Academy of Sciences Publication Activity Database

    Kolář, Michal; Fanfrlík, Jindřich; Hobza, Pavel

    2011-01-01

    Roč. 115, č. 16 (2011), s. 4718-4724 ISSN 1520-6106 R&D Projects: GA MŠk LC512; GA ČR GAP208/11/0295 Grant - others:Korea Science and Engineering Foundation(KR) R32-2008-000-10180-0; European Science Fund(XE) CZ.1.05/2.1.00/03.0058 Institutional research plan: CEZ:AV0Z40550506 Keywords : solvation free energy * SMD * HIV protease inhibitors Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.696, year: 2011

  10. A new formal graphic language for the representation of complex energy distribution systems

    Science.gov (United States)

    Benes, E.; Viehboeck, F. P.

    A schematic notation system for the representation in design and analysis of multi-component heating systems is presented. This graphic language is clear and rigorous and allows quick changes between two basic levels of abstraction, as shown by two examples: a swimming pool with combined solar/electric heating system and the low temperature heating system of the Institute of Molecular Biology in Salzburg, Austria. The notation's 'energy path graphs' are more adequate for judging the relative merits of alternative system configurations than commonly used simplified installation schemes.

  11. Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex

    International Nuclear Information System (INIS)

    Shibl, Mohamed F; Al-Marri, Mohammed J; Schulze, Jan; Kühn, Oliver

    2017-01-01

    The multilayer multiconfiguration time-dependent Hartree method is used to study the coupled exciton–vibrational dynamics in a high-dimensional nonameric model of the LH2 antenna complex of purple bacteria. The exciton–vibrational coupling is parametrized within the Huang–Rhys model according to phonon and intramolecular vibrational modes derived from an experimental bacteriochlorophyll spectral density. In contrast to reduced density matrix approaches, the Schrödinger equation is solved explicitly, giving access to the full wave function. This facilitates an unbiased analysis in terms of the coupled dynamics of excitonic and vibrational degrees of freedom. For the present system, we identify spectator modes for the B800 to B800 transfer and we find a non-additive effect of phonon and intramolecular vibrational modes on the B800 to B850 exciton transfer. (paper)

  12. Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex

    Science.gov (United States)

    Shibl, Mohamed F.; Schulze, Jan; Al-Marri, Mohammed J.; Kühn, Oliver

    2017-09-01

    The multilayer multiconfiguration time-dependent Hartree method is used to study the coupled exciton-vibrational dynamics in a high-dimensional nonameric model of the LH2 antenna complex of purple bacteria. The exciton-vibrational coupling is parametrized within the Huang-Rhys model according to phonon and intramolecular vibrational modes derived from an experimental bacteriochlorophyll spectral density. In contrast to reduced density matrix approaches, the Schrödinger equation is solved explicitly, giving access to the full wave function. This facilitates an unbiased analysis in terms of the coupled dynamics of excitonic and vibrational degrees of freedom. For the present system, we identify spectator modes for the B800 to B800 transfer and we find a non-additive effect of phonon and intramolecular vibrational modes on the B800 to B850 exciton transfer.

  13. Energy Consumption in the Process of Excavator-Automobile Complexes Distribution at Kuzbass Open Pit Mines

    Directory of Open Access Journals (Sweden)

    Panachev Ivan

    2017-01-01

    Full Text Available Every year worldwide coal mining companies seek to maintain the tendency of the mining machine fleet renewal. Various activities to maintain the service life of already operated mining equipment are implemented. In this regard, the urgent issue is the problem of efficient distribution of available machines in different geological conditions. The problem of “excavator-automobile” complex effective distribution occurs when heavy dump trucks are used in mining. For this reason, excavation and transportation of blasted rock mass are the most labor intensive and costly processes, considering the volume of transported overburden and coal, as well as diesel fuel, electricity, fuel and lubricants costs, consumables for repair works and downtime, etc. Currently, it is recommended to take the number of loading buckets in the range of 3 to 5, according to which the dump trucks are distributed to faces.

  14. Early detection of metabolic and energy disorders by thermal time series stochastic complexity analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lutaif, N.A. [Departamento de Clínica Médica, Faculdade de Ciências Médicas, Universidade Estadual de Campinas, Campinas, SP (Brazil); Palazzo, R. Jr [Departamento de Telemática, Faculdade de Engenharia Elétrica e Computação, Universidade Estadual de Campinas, Campinas, SP (Brazil); Gontijo, J.A.R. [Departamento de Clínica Médica, Faculdade de Ciências Médicas, Universidade Estadual de Campinas, Campinas, SP (Brazil)

    2014-01-17

    Maintenance of thermal homeostasis in rats fed a high-fat diet (HFD) is associated with changes in their thermal balance. The thermodynamic relationship between heat dissipation and energy storage is altered by the ingestion of high-energy diet content. Observation of thermal registers of core temperature behavior, in humans and rodents, permits identification of some characteristics of time series, such as autoreference and stationarity that fit adequately to a stochastic analysis. To identify this change, we used, for the first time, a stochastic autoregressive model, the concepts of which match those associated with physiological systems involved and applied in male HFD rats compared with their appropriate standard food intake age-matched male controls (n=7 per group). By analyzing a recorded temperature time series, we were able to identify when thermal homeostasis would be affected by a new diet. The autoregressive time series model (AR model) was used to predict the occurrence of thermal homeostasis, and this model proved to be very effective in distinguishing such a physiological disorder. Thus, we infer from the results of our study that maximum entropy distribution as a means for stochastic characterization of temperature time series registers may be established as an important and early tool to aid in the diagnosis and prevention of metabolic diseases due to their ability to detect small variations in thermal profile.

  15. Early detection of metabolic and energy disorders by thermal time series stochastic complexity analysis

    International Nuclear Information System (INIS)

    Lutaif, N.A.; Palazzo, R. Jr; Gontijo, J.A.R.

    2014-01-01

    Maintenance of thermal homeostasis in rats fed a high-fat diet (HFD) is associated with changes in their thermal balance. The thermodynamic relationship between heat dissipation and energy storage is altered by the ingestion of high-energy diet content. Observation of thermal registers of core temperature behavior, in humans and rodents, permits identification of some characteristics of time series, such as autoreference and stationarity that fit adequately to a stochastic analysis. To identify this change, we used, for the first time, a stochastic autoregressive model, the concepts of which match those associated with physiological systems involved and applied in male HFD rats compared with their appropriate standard food intake age-matched male controls (n=7 per group). By analyzing a recorded temperature time series, we were able to identify when thermal homeostasis would be affected by a new diet. The autoregressive time series model (AR model) was used to predict the occurrence of thermal homeostasis, and this model proved to be very effective in distinguishing such a physiological disorder. Thus, we infer from the results of our study that maximum entropy distribution as a means for stochastic characterization of temperature time series registers may be established as an important and early tool to aid in the diagnosis and prevention of metabolic diseases due to their ability to detect small variations in thermal profile

  16. Conformational Explosion: Understanding the Complexity of the Para-Dialkylbenzene Potential Energy Surfaces

    Science.gov (United States)

    Mishra, Piyush; Hewett, Daniel M.; Zwier, Timothy S.

    2017-06-01

    This talk focuses on the single-conformation spectroscopy of small-chain para-dialkylbenzenes. This work builds on previous studies from our group on long-chain n-alkylbenzenes that identified the first folded structure in octylbenzene. The dialkylbenzenes are representative of a class of molecules that are common components of coal and aviation fuel and are known to be present in vehicle exhaust. We bring the molecules para-diethylbenzene, para-dipropylbenzene and para-dibutylbenzene into the gas phase and cool the molecules in a supersonic expansion. The jet-cooled molecules are then interrogated using laser-induced fluorescence excitation, fluorescence dip IR spectroscopy (FDIRS) and dispersed fluorescence. The LIF spectra in the S_{0}-S_{1} origin region show dramatic increases in the number of resolved transitions with increasing length of alkyl chains, reflecting an explosion in the number of unique low-energy conformations formed when two independent alkyl chains are present. Since the barriers to isomerization of the alkyl chain are similar in size, this results in an 'egg carton' shape to the potential energy surface. We use a combination of electronic frequency shift and alkyl CH stretch infrared spectra to generate a consistent set of conformational assignments.

  17. Nested MC-Based Risk Measurement of Complex Portfolios: Acceleration and Energy Efficiency

    Directory of Open Access Journals (Sweden)

    Sascha Desmettre

    2016-10-01

    Full Text Available Risk analysis and management currently have a strong presence in financial institutions, where high performance and energy efficiency are key requirements for acceleration systems, especially when it comes to intraday analysis. In this regard, we approach the estimation of the widely-employed portfolio risk metrics value-at-risk (VaR and conditional value-at-risk (cVaR by means of nested Monte Carlo (MC simulations. We do so by combining theory and software/hardware implementation. This allows us for the first time to investigate their performance on heterogeneous compute systems and across different compute platforms, namely central processing unit (CPU, many integrated core (MIC architecture XeonPhi, graphics processing unit (GPU, and field-programmable gate array (FPGA. To this end, the OpenCL framework is employed to generate portable code, and the size of the simulations is scaled in order to evaluate variations in performance. Furthermore, we assess different parallelization schemes, and the targeted platforms are evaluated and compared in terms of runtime and energy efficiency. Our implementation also allowed us to derive a new algorithmic optimization regarding the generation of the required random number sequences. Moreover, we provide specific guidelines on how to properly handle these sequences in portable code, and on how to efficiently implement nested MC-based VaR and cVaR simulations on heterogeneous compute systems.

  18. A Transcript-Specific eIF3 Complex Mediates Global Translational Control of Energy Metabolism.

    Science.gov (United States)

    Shah, Meera; Su, Dan; Scheliga, Judith S; Pluskal, Tomáš; Boronat, Susanna; Motamedchaboki, Khatereh; Campos, Alexandre Rosa; Qi, Feng; Hidalgo, Elena; Yanagida, Mitsuhiro; Wolf, Dieter A

    2016-08-16

    The multi-subunit eukaryotic translation initiation factor eIF3 is thought to assist in the recruitment of ribosomes to mRNA. The expression of eIF3 subunits is frequently disrupted in human cancers, but the specific roles of individual subunits in mRNA translation and cancer remain elusive. Using global transcriptomic, proteomic, and metabolomic profiling, we found a striking failure of Schizosaccharomyces pombe cells lacking eIF3e and eIF3d to synthesize components of the mitochondrial electron transport chain, leading to a defect in respiration, endogenous oxidative stress, and premature aging. Energy balance was maintained, however, by a switch to glycolysis with increased glucose uptake, upregulation of glycolytic enzymes, and strict dependence on a fermentable carbon source. This metabolic regulatory function appears to be conserved in human cells where eIF3e binds metabolic mRNAs and promotes their translation. Thus, via its eIF3d-eIF3e module, eIF3 orchestrates an mRNA-specific translational mechanism controlling energy metabolism that may be disrupted in cancer. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

  19. A Transcript-Specific eIF3 Complex Mediates Global Translational Control of Energy Metabolism

    Directory of Open Access Journals (Sweden)

    Meera Shah

    2016-08-01

    Full Text Available The multi-subunit eukaryotic translation initiation factor eIF3 is thought to assist in the recruitment of ribosomes to mRNA. The expression of eIF3 subunits is frequently disrupted in human cancers, but the specific roles of individual subunits in mRNA translation and cancer remain elusive. Using global transcriptomic, proteomic, and metabolomic profiling, we found a striking failure of Schizosaccharomyces pombe cells lacking eIF3e and eIF3d to synthesize components of the mitochondrial electron transport chain, leading to a defect in respiration, endogenous oxidative stress, and premature aging. Energy balance was maintained, however, by a switch to glycolysis with increased glucose uptake, upregulation of glycolytic enzymes, and strict dependence on a fermentable carbon source. This metabolic regulatory function appears to be conserved in human cells where eIF3e binds metabolic mRNAs and promotes their translation. Thus, via its eIF3d-eIF3e module, eIF3 orchestrates an mRNA-specific translational mechanism controlling energy metabolism that may be disrupted in cancer.

  20. Modeling complex dispersed energy and clean water systems for the United States/Mexico border

    Science.gov (United States)

    Herrera, Hugo Francisco Lopez

    As world population grows, and its technology evolves, the demand for electricity inexorably increases. Until now most of this electricity has been produced via fossil fuels, non-renewable energy resources that are irreversibly deteriorating our environment. On the economical aspect it does not get any better. Let's not forget market rules, the higher the demand and lower the offer, the higher the price we will have to pay. Oil is an excellent example. Some countries try to solve this situation with Pharaohnic projects, i.e. investing absurd amounts of money in 'green electricity' building monstrous dams to power equally monstrous hydroelectric power plants. The only problem with this is that it is not green at all---it does have an enormous environmental impact---it is extremely complicated and expensive to implement. It is important to point out, that this research project does not try to solve world's thirst for electricity. It is rather aimed to help solve this problematic at a much lower scale---it should be considered as an extremely small step in the right direction. It focuses on satisfying the local electricity needs with renewable, non-contaminating and locally available resources. More concisely, this project focuses on the attainment and use of hydrogen as an alternate energy source in El Paso/Juarez region. Clean technology is nowadays available to produce hydrogen and oxygen, i.e. the photoelectrolysis process. Photovoltaic cells coupled with electrolytic devices can be used to produce hydrogen and oxygen in a sustainable manner. In this research, simulation models of hybrid systems were designed and developed. They were capable to compare, predict and evaluate different options for hydrogen generation. On the other hand, with the produced hydrogen from the electrolysis process it was possible to generate electricity through fuel cells. The main objectives of the proposed research were to define how to use the resources for the attainment of hydrogen

  1. Influence of the Scientific and Technical Progress upon the Fuel and Energy Complex of Ukraine until 2050: Methodology of Assessment of Long-term Forecasts

    Directory of Open Access Journals (Sweden)

    Antonenko Leonid A.

    2013-12-01

    Full Text Available The article makes an attempt, using new methodological initial grounds by the works of leading foreign authors, to present an aggregate of qualitatively different conditions of development of the fuel and energy complex of Ukraine until 2050 in the context of forecasts of development of USA until 2100. The authors justify factors that significantly differentiate trajectories of future development of the Ukrainian energy sector and USA energy sector, which envisages development of own methodology and realisation of forecasts officially already developed by Ukrainian scientists. On the basis of this the article presents the authors’ comparative analysis of fuel and energy complexes of Ukraine and China.

  2. An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes

    Science.gov (United States)

    Gerber, Paul R.; Mark, Alan E.; van Gunsteren, Wilfred F.

    1993-06-01

    Derivatives of free energy differences have been calculated by molecular dynamics techniques. The systems under study were ternary complexes of Trimethoprim (TMP) with dihydrofolate reductases of E. coli and chicken liver, containing the cofactor NADPH. Derivatives are taken with respect to modification of TMP, with emphasis on altering the 3-, 4- and 5-substituents of the phenyl ring. A linear approximation allows the encompassing of a whole set of modifications in a single simulation, as opposed to a full perturbation calculation, which requires a separate simulation for each modification. In the case considered here, the proposed technique requires a factor of 1000 less computing effort than a full free energy perturbation calculation. For the linear approximation to yield a significant result, one has to find ways of choosing the perturbation evolution, such that the initial trend mirrors the full calculation. The generation of new atoms requires a careful treatment of the singular terms in the non-bonded interaction. The result can be represented by maps of the changed molecule, which indicate whether complex formation is favoured under movement of partial charges and change in atom polarizabilities. Comparison with experimental measurements of inhibition constants reveals fair agreement in the range of values covered. However, detailed comparison fails to show a significant correlation. Possible reasons for the most pronounced deviations are given.

  3. In situ coating nickel organic complexes on free-standing nickel wire films for volumetric-energy-dense supercapacitors.

    Science.gov (United States)

    Hong, Min; Xu, Shusheng; Yao, Lu; Zhou, Chao; Hu, Nantao; Yang, Zhi; Hu, Jing; Zhang, Liying; Zhou, Zhihua; Wei, Hao; Zhang, Yafei

    2018-07-06

    A self-free-standing core-sheath structured hybrid membrane electrodes based on nickel and nickel based metal-organic complexes (Ni@Ni-OC) was designed and constructed for high volumetric supercapacitors. The self-standing Ni@Ni-OC film electrode had a high volumetric specific capacity of 1225.5 C cm -3 at 0.3 A cm -3 and an excellent rate capability. Moreover, when countered with graphene-carbon nanotube (G-CNT) film electrode, the as-assembled Ni@Ni-OC//G-CNT hybrid supercapacitor device delivered an extraordinary volumetric capacitance of 85 F cm -3 at 0.5 A cm -3 and an outstanding energy density of 33.8 at 483 mW cm -3 . Furthermore, the hybrid supercapacitor showed no capacitance loss after 10 000 cycles at 2 A cm -3 , indicating its excellent cycle stability. These fascinating performances can be ascribed to its unique core-sheath structure that high capacity nano-porous nickel based metal-organic complexes (Ni-OC) in situ coated on highly conductive Ni wires. The impressive results presented here may pave the way to construct s self-standing membrane electrode for applications in high volumetric-performance energy storage.

  4. Study on photophysical properties of Eu(III) complexes with aromatic β-diketones – Role of charge transfer states in the energy migration

    Energy Technology Data Exchange (ETDEWEB)

    Räsänen, Markus, E-mail: mpvras@utu.fi [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland); Takalo, Harri [DHR Finland Oy, Innotrac Diagnostics, Biolinja 12, FIN-20750 Turku (Finland); Rosenberg, Jaana; Mäkelä, Joonas [Department of Biochemistry and Food Chemistry, University of Turku, FIN-20014 Turku (Finland); Haapakka, Keijo; Kankare, Jouko [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland)

    2014-02-15

    We synthesized a set of aromatic β-diketones and measured the photophysical properties of their europium(III) complexes. According to these photophysical properties, the europium complexes can be divided into two groups: the complexes with or without the freely rotating amino-group (FRAG). On the basis of the experimental results, it can be concluded that in the FRAG complexes, the ligand-centered excitation energy is most probably transferred from a ligand to a coordinated europium via the intraligand charge transfer (ILCT) state. The temperature dependency of the lifetimes of the emissive {sup 5}D{sub 0} state revealed that in the FRAG complexes, the energy of the emissive {sup 5}D{sub 0} state is back-transferred to the ligand-to-metal charge transfer (LMCT) state and in the non-FRAG complexes, to the triplet state of the ligand. The most efficient complex synthesized was the europium complex of carbazole derivative L{sup 6} with the quantum yield of 47% and molar absorption coefficient of 70,400 M{sup −1}cm{sup −1}. -- Highlights: • We synthesized a set of substituted aromatic β-diketones and their Eu(III) complexes. • We measured the photophysical properties of these Eu(III) complexes. • Carbazole derivative of β-diketone forms the brightest Eu(III) complex. • The Jablonski diagrams proposed for the luminescence of these complexes.

  5. Health and research organization to meet complex needs of developing energy technologies

    International Nuclear Information System (INIS)

    Griffith, R.V.

    1980-01-01

    At the Lawrence Livermore Laboratory, a unique safety technology organization has been established that is especially geared to respond to interdisciplinary health and safety questions in response to rapidly growing energy technology problems. This concept can be adopted by smaller organizations at a more modest cost, and still maintains the efficiency, flexibility, and technical rigor that are needed more and more in support of any industry health and safety problem. The separation of the technology development role from the operation safety organization allows the operational safety specialists to spend more time upgrading the occupational health and safety program but yet provides the opportunity for interchange with health and safety technology development specialists. In fact, a personnel assignment flow between an operational health and safety organization and a special technology development organization provides a mechanism for upgrading the overall safety capability and program provided by a given industrial or major laboratory

  6. Conformational explosion: Understanding the complexity of short chain para-dialkylbenzene potential energy surfaces

    Science.gov (United States)

    Mishra, Piyush; Hewett, Daniel M.; Zwier, Timothy S.

    2018-05-01

    The single-conformation ultraviolet and infrared spectroscopy of three short-chain para-dialkylbenzenes (para-diethylbenzene, para-dipropylbenzene, and para-dibutylbenzene) is reported for the jet-cooled, isolated molecules. The present study builds off previous work on single-chain n-alkylbenzenes, where an anharmonic local mode Hamiltonian method was developed to account for stretch-bend Fermi resonance in the alkyl CH stretch region [D. P. Tabor et al., J. Chem. Phys. 144, 224310 (2016)]. The jet-cooled molecules are interrogated using laser-induced fluorescence (LIF) excitation, fluorescence dip infrared spectroscopy, and dispersed fluorescence. The LIF spectra in the S1 ← S0 origin region show a dramatic increase in the number of resolved transitions with increasing length of the alkyl chains, reflecting an explosion in the number of unique low-energy conformations formed when two independent alkyl chains are present. Since the barriers to isomerization of the alkyl chain are similar in size, this results in an "egg carton" shaped potential energy surface. A combination of electronic frequency shift and alkyl CH stretch infrared spectra is used to generate a consistent set of conformational assignments. Using these experimental techniques in conjunction with computational methods, subsets of origin transitions in the LIF excitation spectrum can be classified into different conformational families. Two conformations are resolved in para-diethylbenzene, seven in para-dipropylbenzene, and about nineteen in para-dibutylbenzene. These chains are largely independent of each other as there are no new single-chain conformations induced by the presence of a second chain. A cursory LIF excitation scan of para-dioctylbenzene shows a broad congested spectrum at frequencies consistent with interactions of alkyl chains with the phenyl π cloud.

  7. State-of-the-art and main options to improve fuel-energy complex of ferrous metallurgy

    Energy Technology Data Exchange (ETDEWEB)

    Rozenblit, G I; Pashkov, V D; Romanov, G M

    1981-01-01

    In 1980, the State Institute for the Design and Planning Metallury (Gripromez), elaborated ''The main options of Fuel and energy resources conservation (FERG) in ferrous metallurgy of the USSR program of works for the period 1981-1985 and up to 1990''. The Gipromez technical committee recommended: 1) elaborating feasibility studies and reports, developing branch schemes and starting complexes to separate out FERC measures; 2) inclusion of the FERC measures at the starting complexes as the first stages of main projects construction; 3) that the Ministy of Ferrous Metallurgy of the USSR, general designers and enterprises reconsider the starting complexes of the projects constructed during the present five-year period and incorporate in them the urgent FERC actions on heat-utilizing facilities. Changing the steel smelting process structure through more extensive use of the converter process and installation of continuous blank casting allows achievement of considerable fuel conservation, some 4 m trf per year as compared with its consumption in the scheme of open-hearth furnace - blooming mill (slabbing mill). During the 11th five-year-plan period introduction of metallurgy plant. An installation with discharge of the converter gas without its afterburning and successive utilization as a fuel in the converter shop of the Novolipetsk is planned.

  8. Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether

    Energy Technology Data Exchange (ETDEWEB)

    Boda, Łukasz, E-mail: lboda@chemia.uj.edu.pl; Boczar, Marek; Gług, Maciej; Wójcik, Marek J. [Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków (Poland)

    2015-11-28

    Interaction energies, molecular structure and vibrational frequencies of the binary complex formed between H(D)Cl and dimethyl ether have been obtained using quantum-chemical methods. Equilibrium and vibrationally averaged structures, harmonic and anharmonic wavenumbers of the complex and its deuterated isotopomer were calculated using harmonic and anharmonic second-order perturbation theory procedures with Density Functional Theory B3LYP and B2PLYP-D and ab initio Møller-Plesset second-order methods, and a 6-311++G(3d,3p) basis set. A phenomenological model describing anharmonic-type vibrational couplings within hydrogen bonds was developed to explain the unique broadening and fine structure, as well as the isotope effect of the Cl–H and Cl–D stretching IR absorption bands in the gaseous complexes with dimethyl ether, as an effect of hydrogen bond formation. Simulations of the rovibrational structure of the Cl–H and Cl–D stretching bands were performed and the results were compared with experimental spectra.

  9. Effects on the Distal Radioulnar Joint of Ablation of Triangular Fibrocartilage Complex Tears With Radiofrequency Energy.

    Science.gov (United States)

    Huber, Michaela; Loibl, Markus; Eder, Christoph; Kujat, Richard; Nerlich, Michael; Gehmert, Sebastian

    2016-11-01

    This cadaver study investigated the temperature profile in the wrist joint and distal radioulnar joint (DRUJ) during radiofrequency energy (RFE) application for triangular fibrocartilage complex resection. An arthroscopic partial resection of the triangular fibrocartilage complex using monopolar and bipolar RFE was simulated in 14 cadaver limbs. The temperature was recorded simultaneously in the DRUJ and at 6 other anatomic locations of the wrist during RFE application. The mean temperature in the DRUJ was 43.3 ± 8.2°C for the bipolar system in the ablation mode (60 W) and 30.4 ± 3.4°C for the monopolar system in the cut mode (20 W) after 30 seconds. The highest measured temperature in the DRUJ was 54.3°C for the bipolar system and 68.1°C for the monopolar system. The application of RFE for debridement or resection of the triangular fibrocartilage complex in a clinical setting can induce peak temperatures that might cause damage to the cartilage of the DRUJ. Bipolar systems produce higher mean temperatures than monopolar devices. RFE application increases the mean temperature in the DRUJ after 30 seconds to a level that may jeopardize cartilage tissue. Copyright © 2016 American Society for Surgery of the Hand. Published by Elsevier Inc. All rights reserved.

  10. Behavior of Poisson Bracket Mapping Equation in Studying Excitation Energy Transfer Dynamics of Cryptophyte Phycocyanin 645 Complex

    International Nuclear Information System (INIS)

    Lee, Weon Gyu; Kelly, Aaron; Rhee, Young Min

    2012-01-01

    Recently, it has been shown that quantum coherence appears in energy transfers of various photosynthetic light harvesting complexes at from cryogenic to even room temperatures. Because the photosynthetic systems are inherently complex, these findings have subsequently interested many researchers in the field of both experiment and theory. From the theoretical part, simplified dynamics or semiclassical approaches have been widely used. In these approaches, the quantum-classical Liouville equation (QCLE) is the fundamental starting point. Toward the semiclassical scheme, approximations are needed to simplify the equations of motion of various degrees of freedom. Here, we have adopted the Poisson bracket mapping equation (PBME) as an approximate form of QCLE and applied it to find the time evolution of the excitation in a photosynthetic complex from marine algae. The benefit of using PBME is its similarity to conventional Hamiltonian dynamics. Through this, we confirmed the coherent population transfer behaviors in short time domain as previously reported with a more accurate but more time-consuming iterative linearized density matrix approach. However, we find that the site populations do not behave according to the Boltzmann law in the long time limit. We also test the effect of adding spurious high frequency vibrations to the spectral density of the bath, and find that their existence does not alter the dynamics to any significant extent as long as the associated reorganization energy is changed not too drastically. This suggests that adopting classical trajectory based ensembles in semiclassical simulations should not influence the coherence dynamics in any practical manner, even though the classical trajectories often yield spurious high frequency vibrational features in the spectral density

  11. Material control and accounting in the Department of Energy's nuclear fuel complex

    Energy Technology Data Exchange (ETDEWEB)

    None

    1989-01-01

    Material control and accounting takes place within an envelope of activities related to safeguards and security, as well as to safety, health, and environment, all of which need to be managed to assure that the entire nuclear fuel complex can operate in a societally accepted manner. Within this envelope the committee was directed to carry out the following scope of work: (1) Review the MCandA systems in use at selected DOE facilities that are processing special nuclear material (SNM) in various physical and chemical forms. (2) Design and convene a workshop for senior representatives from each of DOE's facilities on the flows and inventories of nuclear materials. (3) Plan and conduct a series of site visits to each of the facilities to observe first hand the processing operations and the related MCandA systems. (4) Review the potential improvement in overall safeguard systems effectiveness, as measured by expected reduction in inventory difference control limits and inventory differences for materials balance accounts and facilities, or other criteria as appropriate. Indicate how this affects the relative degree of uncertainty in the system. (5) Review the efficiency of operating the MCandA system with and without the upgrading options and assess whether upgrading will contribute further efficiencies in operation, which may reduce many of the current operations costs. Determine if the current system is cost-effective. (6) Recommend the most promising technical approaches for further development by DOE and further study as warranted.

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

    Science.gov (United States)

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

    2018-05-22

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

  13. Efficient red organic electroluminescent devices based on trivalent europium complex obtained by designing the device structure with stepwise energy levels

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Liang; Jiang, Yunlong; Cui, Rongzhen; Li, Yanan; Zhao, Xuesen; Deng, Ruiping; Zhang, Hongjie, E-mail: hongjie@ciac.ac.cn

    2016-02-15

    In this study, we aim to further enhance the electroluminescence (EL) performances of trivalent europium complex Eu(TTA){sub 3}phen (TTA=thenoyltrifluoroacetone and phen=1,10-phenanthroline) by designing the device structure with stepwise energy levels. The widely used bipolar material 2,6-bis(3-(9H-carbazol-9-yl)phenyl)pyridine (26DCzPPy) was chosen as host material, while the doping concentration of Eu(TTA){sub 3}phen was optimized to be 4%. To facilitate the injection and transport of holes, MoO{sub 3} anode modification layer and 4,4′,4′′-Tris(carbazole-9-yl)triphenylamine (TcTa) hole transport layer were inserted in sequence. Efficient pure red emission with suppressed efficiency roll-off was obtained attributed to the reduction of accumulation holes, the broadening of recombination zone, and the improved balance of holes and electrons on Eu(TTA){sub 3}phen molecules. Finally, the device with 3 nm MoO{sub 3} and 5 nm TcTa obtained the highest brightness of 3278 cd/m{sup 2}, current efficiency of 12.45 cd/A, power efficiency of 11.50 lm/W, and external quantum efficiency of 6.60%. Such a device design strategy helps to improve the EL performances of emitters with low-lying energy levels and provides a chance to simplify device fabrication processes. - Highlights: • Electroluminescent performances of europium complex were further improved. • Device structure with stepwise energy levels was designed. • Better carriers' balance was realized by improving the injection and transport of holes. • The selection of bipolar host caused the broadening of recombination zone.

  14. A vertical-energy-thresholding procedure for data reduction with multiple complex curves.

    Science.gov (United States)

    Jung, Uk; Jeong, Myong K; Lu, Jye-Chyi

    2006-10-01

    Due to the development of sensing and computer technology, measurements of many process variables are available in current manufacturing processes. It is very challenging, however, to process a large amount of information in a limited time in order to make decisions about the health of the processes and products. This paper develops a "preprocessing" procedure for multiple sets of complicated functional data in order to reduce the data size for supporting timely decision analyses. The data type studied has been used for fault detection, root-cause analysis, and quality improvement in such engineering applications as automobile and semiconductor manufacturing and nanomachining processes. The proposed vertical-energy-thresholding (VET) procedure balances the reconstruction error against data-reduction efficiency so that it is effective in capturing key patterns in the multiple data signals. The selected wavelet coefficients are treated as the "reduced-size" data in subsequent analyses for decision making. This enhances the ability of the existing statistical and machine-learning procedures to handle high-dimensional functional data. A few real-life examples demonstrate the effectiveness of our proposed procedure compared to several ad hoc techniques extended from single-curve-based data modeling and denoising procedures.

  15. AN ADVANCED CALIBRATION PROCEDURE FOR COMPLEX IMPEDANCE SPECTRUM MEASUREMENTS OF ADVANCED ENERGY STORAGE DEVICES

    Energy Technology Data Exchange (ETDEWEB)

    William H. Morrison; Jon P. Christophersen; Patrick Bald; John L. Morrison

    2012-06-01

    With the increasing demand for electric and hybrid electric vehicles and the explosion in popularity of mobile and portable electronic devices such as laptops, cell phones, e-readers, tablet computers and the like, reliance on portable energy storage devices such as batteries has likewise increased. The concern for the availability of critical systems in turn drives the availability of battery systems and thus the need for accurate battery health monitoring has become paramount. Over the past decade the Idaho National Laboratory (INL), Montana Tech of the University of Montana (Tech), and Qualtech Systems, Inc. (QSI) have been developing the Smart Battery Status Monitor (SBSM), an integrated battery management system designed to monitor battery health, performance and degradation and use this knowledge for effective battery management and increased battery life. Key to the success of the SBSM is an in-situ impedance measurement system called the Impedance Measurement Box (IMB). One of the challenges encountered has been development of an accurate, simple, robust calibration process. This paper discusses the successful realization of this process.

  16. PORSCHE Bucharest West 2 - an example of a complex earth energy turning to account

    International Nuclear Information System (INIS)

    Aposteanu, Alex; Polizu, Radu; Gavriliuc, Robert

    2007-01-01

    PORSCHE Bucharest West 2, a showroom and auto service (extended onto an area of 3,507 m 2 ) was built in Bucharest in 2006 and was commissioned in August 2006. The HVAC system destined for heating (308 kWt) cooling (313 kWt), ventilation and production of hot water (200 kWht/day), was designed and constructed by ASA Holding SA. It makes use of reversible heat pumps (heating - cooling) with geothermal sources. The performances during the period elapsed from the commissioning has been monitored and analysed. The following conclusions can be highlighted: (a) a consumption of energy resources about 5 times lower then a technically equivalent classical system; (b) CO 2 polluting emissions ten times lower then that of a HVAC classical system; (c) a heating expenditure three times lower then a classical system. These results were obtained by comparing the cases of two buildings (PBV2 and PBV1) where the two different systems were applied, the classical one using thermal boilers burning natural gas and the Air-Air system with VRV thermal pumps, for ventilation and conditioning. Having in view the foreseen rise of natural gas prises the application of the HVAC system based on geothermal source appears to be even more attractive

  17. Use of Information Intelligent Components for the Analysis of Complex Processes of Marine Energy Systems

    Directory of Open Access Journals (Sweden)

    Chernyi Sergei

    2016-09-01

    Full Text Available Synchronous motors and their modifications (ac converter-fed motor, etc. enable to develop low-noise, reliable and economically efficient electric drive systems. The construction of up-to-date systems based on the synchronous machines is impossible without development of the computing software incorporating mathematical and computing simulation. In its turn, modelling of the synchronous machines as a rule is based on the equations by Park-Gorev, application of which requires adoption of a series of allowances. These allowances in a number of cases do not permit to obtain adequate results of the simulation coinciding with the results of field experiments of the systems under review. Moreover, while applying the system of equations by Park-Gorev to research the systems including interaction of synchronous machines with semiconducting converters of electric energy it is necessary simulate the process of formation their controlling signals in the sphere of frequency. If the states of converter’s keys are defined not only by controlling impulses but also by the state of currents in the synchronous machines flowing through them, such approach is not reasonable.

  18. High performance yellow organic electroluminescent devices by doping iridium(III) complex into host materials with stepwise energy levels

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Rongzhen; Zhou, Liang, E-mail: zhoul@ciac.ac.cn; Jiang, Yunlong; Li, Yanan; Zhao, Xuesen; Zhang, Hongjie, E-mail: hongjie@ciac.ac.cn

    2015-10-15

    In this work, we aim to further improve the electroluminescent (EL) performances of a yellow light-emitting iridium(III) complex by designing double light-emitting layers (EMLs) devices having stepwise energy levels. Compared with single-EML devices, these designed double-EML devices showed improved EL efficiency and brightness attributed to better balance in carriers. In addition, the stepwise distribution in energy levels of host materials is instrumental in broadening the recombination zone, thus delaying the roll-off of EL efficiency. Based on the investigation of carriers' distribution, device structure was further optimized by adjusting the thickness of deposited layers. Finally, yellow EL device (Commission Internationale de l'Eclairage (CIE) coordinates of (0.446, 0.542)) with maximum current efficiency, power efficiency and brightness up to 78.62 cd/A (external quantum efficiency (EQE) of 21.1%), 82.28 lm/W and 72,713 cd/m{sup 2}, respectively, was obtained. Even at the high brightness of 1000 cd/m{sup 2}, EL efficiency as high as 65.54 cd/A (EQE=17.6%) can be retained. - Highlights: • Yellow electroluminescent devices were designed and fabricated. • P-type and n-type materials having stepwise energy levels were chosen as host materials. • Better balance of holes and electrons causes the enhanced efficiencies. • Improved carriers' trapping suppresses the emission of host material.

  19. Estimation of the ripple effects on a regional community of the formation of the nuclear energy science complex in Gyeongju

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Byung-Sik [Dankook Univ., Chungnam (Korea, Republic of). Dept. of Nuclear Engineering; Moon, Joo Hyun [Dongguk Univ. Gyeongju, Gyeongbuk (Korea, Republic of). Dept. of Nuclear Energy Engineering

    2017-05-15

    Korea has developed advanced nuclear technologies, including those for future nuclear energy systems and the safe management of spent nuclear fuel, and is about to make a decision as to whether to make a massive investment in the development R and D for commercialization of them. There is no area large enough to accommodate all the development R and D-related facilities together at Korea Atomic Energy Research Institute (KAERI) to perform the development R and Ds. KAERI seeks solutions to the space problem, which includes the construction of a nuclear energy science complex (NESC). Gyeongju is one of the potential sites. This study estimated the ripple effects on the regional community if the NESC is to be formed in Gyeongju using inter-regional input-output analysis. The estimation shows that the ripple effects to the regional community of the formation of the NESC in Gyeongju would be 1,086,633 billion Korean Won (KRW) for regional production inducement, 455,299 billion KRW for value-added inducement, and 9,592 persons for employment inducement.

  20. Free energy landscape of siRNA-polycation complexation: Elucidating the effect of molecular geometry, polymer flexibility, and charge neutralization.

    Directory of Open Access Journals (Sweden)

    Gianvito Grasso

    Full Text Available The success of medical threatments with DNA and silencing interference RNA is strongly related to the design of efficient delivery technologies. Cationic polymers represent an attractive strategy to serve as nucleic-acid carriers with the envisioned advantages of efficient complexation, low cost, ease of production, well-defined size, and low polydispersity index. However, the balance between efficacy and toxicity (safety of these polymers is a challenge and in need of improvement. With the aim of designing more effective polycationic-based gene carriers, many parameters such as carrier morphology, size, molecular weight, surface chemistry, and flexibility/rigidity ratio need to be taken into consideration. In the present work, the binding mechanism of three cationic polymers (polyarginine, polylysine and polyethyleneimine to a model siRNA target is computationally investigated at the atomistic level. In order to better understand the polycationic carrier-siRNA interactions, replica exchange molecular dynamic simulations were carried out to provide an exhaustive exploration of all the possible binding sites, taking fully into account the siRNA flexibility together with the presence of explicit solvent and ions. Moreover, well-tempered metadynamics simulations were employed to elucidate how molecular geometry, polycation flexibility, and charge neutralization affect the siRNA-polycations free energy landscape in term of low-energy binding modes and unbinding free energy barriers. Significant differences among polymer binding modes have been detected, revealing the advantageous binding properties of polyarginine and polylysine compared to polyethyleneimine.

  1. The energy levels and oscillator strength of a complex atom--Au50+ in a self-consistent potential

    International Nuclear Information System (INIS)

    Feng Rong; Zou Yu; Fang Quanyu

    1998-01-01

    The effects of free electrons in a plasma on a complex atom are discussed, here the authors are interested in the target ion--Au 50+ in inertia confined fusion (ICF). The results are compared with those in the case of hydrogenic ions. Accurate numerical solutions have been obtained for Schroedinger's equation through Debye screened Hartree-Fock-Slater self-consistent potential. Solutions have been computed for 28 eigenstates, 1s through n =3D 7, l =3D 6, yielding the energy eigenvalues for a wide range of Debye screening length Λ. As in the case of hydrogenic ions, under screening, all energy levels are shifted away from their unscreened values toward the continuum, that is, the ionization limits are shifted downward. Conclusions have been made that when Λ>5a 0 , that is, in the weak screening cases, Debye screening has little effect on oscillator strength, average orbital radius, transition matrix elements, etc., of Au 50+ . For each (n,l) eigenstate, there is a finite value of screening length Λ 0 (n,l), for which the energy becomes zero. When Λ is sufficiently small, level crossing appears at high n states. Optical oscillator strength for Au 50+ has also been calculated, the results are compared with those under unscreened potential

  2. Mechanics of mass, energy and momentum transfer in complex textured materials at micro/nanoscales

    Science.gov (United States)

    Raman, Srikar

    channels and its adverse consequences pose a severe challenge in implementing pressure-driven fluidic delivery through nano- and microcapillaries even in the case of homogeneous solutions. The final work was in the investigation of the rheological properties of complex textured micro material, mainly gypsum slurries. Gypsum slurries experience rapid evaporation of water which causes them to solidify in a few seconds. It is therefore important to study their rheological properties for enhancing the efficacy of the production processes as well as to minimize the associated water content. Therefore, in this work, rheological characterization of gypsum slurries were studied under various initial conditions namely Water to Stucco Ratio, effect on rheological properties of the slurries due to the addition of foam and time related shear measurements.

  3. Complexity Uncertainty Analysis of Dynamic in a Dual-Channel Energy Supply Chain Model with Heterogeneous Retailers

    Directory of Open Access Journals (Sweden)

    Ting Li

    2015-01-01

    Full Text Available This paper analyses the dynamics of dual-channel energy supply chain model with heterogeneous retailers (as regards the type of expectations’ formation. On the basis of analyzing the stabilities of four fixed points in the three-dimensional dynamic system, local stable regions of Nash equilibrium are obtained. Effects of S on the stable regions and profit are studied. Simulation results show that the adjustment of price speed has an obvious impact on the complexity of competition. The performances of the model in different period are measured by using the index of average profit. The results show that unstable behavior in economic system is often an unfavorable outcome. So this paper discusses the application of parameters control method when the model is in chaos and then allows the oligarchs to eliminate the negative effects.

  4. Production of complex particles in low energy spallation and in fragmentation reactions by in-medium random clusterization

    International Nuclear Information System (INIS)

    Lacroix, D.; Durand, D.

    2005-09-01

    Rules for in-medium complex particle production in nuclear reactions are proposed. These rules have been implemented in two models to simulate nucleon-nucleus and nucleus-nucleus reactions around the Fermi energy. Our work emphasizes the effect of randomness in cluster formation, the importance of the nucleonic Fermi motion as well as the role of conservation laws. The concepts of total available phase-space and explored phase-space under constraint imposed by the reaction are clarified. The compatibility of experimental observations with a random clusterization is illustrated in a schematic scenario of a proton-nucleus collision. The role of randomness under constraint is also illustrated in the nucleus-nucleus case. (authors)

  5. Studies of transfer reactions of photosensitized electrons involving complexes of transition metals in view of solar energy storage

    International Nuclear Information System (INIS)

    Takakubo, Masaaki

    1984-01-01

    This research thesis addresses electron transfer reactions occurring during photosynthesis, for example, photosensitized reaction in which chlorophyll is the sensitizer. More specifically, the author studied experimentally electron photo-transfers with type D sensitizers (riboflavin, phenoxazine and porphyrin), and various complexes of transition metals. After a presentation of these experiments, the author describes the photosensitisation process (photo-physics of riboflavin, oxygen deactivation, sensitized photo-oxidation and photo-reduction). The theoretical aspect of electron transfer is then addressed: generalities, deactivation of the riboflavin triplet, initial efficiency of electron transfer. Experimental results on three basic processes (non-radiative deactivation, energy transfer, electron transfer) are interpreted in a unified way by using the non-radiative transfer theory. Some applications are described: photo-electrochemical batteries, photo-oxidation and photo-reduction of the cobalt ion

  6. Demand side management project for Tenaga Nasional Berhad: Energy efficiency study: Jabatan Kerja Raya (JKR) complex. Final report. Export trade information

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-03-01

    This study, conducted by the California Energy Commission, was funded by the U.S. Trade and Development Agency. The report focuses on energy efficiency and conservation measures at the Jabatan Kerja Raya (JKR) Complex in Malaysia for Tenaga Nasional Berhad (TNB). The study is divided into the following contents: Preface; (1.0) Executive Summary; (2.0) Facility Background and Site Information; (3.0) Site Energy Use; (4.0) Energy Using Systems; (5.0) On-Site Electricity and Energy Generation; (6.0) Technical Project Summary; Figures, Tables, and Appendices.

  7. Demand-side management project for Tenaga Nasional Berhad: Energy efficiency study: Institut Teknologi Mara (ITM) complex. Final report. Export trade information

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-03-01

    This study, conducted by the California Energy Commission, was funded by the U.S. Trade and Development Agency. The report focuses on energy efficiency and conservation measures at the Institut Teknologi Mara (ITM) Complex for Tenaga Nasional Berhad in Malaysia. The study is divided into the following sections: Preface; (1.0) Executive Summary; (2.0) Facility Background and Site Information; (3.0) Site Energy Use; (4.0) Energy Using Systems; (5.0) On-Site Electricity and Energy Generation; (6.0) Technical Project Summary; Figures, Tables, Appendices.

  8. Probabilistic performance assessment of complex energy process systems - The case of a self-sustained sanitation system.

    Science.gov (United States)

    Kolios, Athanasios; Jiang, Ying; Somorin, Tosin; Sowale, Ayodeji; Anastasopoulou, Aikaterini; Anthony, Edward J; Fidalgo, Beatriz; Parker, Alison; McAdam, Ewan; Williams, Leon; Collins, Matt; Tyrrel, Sean

    2018-05-01

    A probabilistic modelling approach was developed and applied to investigate the energy and environmental performance of an innovative sanitation system, the "Nano-membrane Toilet" (NMT). The system treats human excreta via an advanced energy and water recovery island with the aim of addressing current and future sanitation demands. Due to the complex design and inherent characteristics of the system's input material, there are a number of stochastic variables which may significantly affect the system's performance. The non-intrusive probabilistic approach adopted in this study combines a finite number of deterministic thermodynamic process simulations with an artificial neural network (ANN) approximation model and Monte Carlo simulations (MCS) to assess the effect of system uncertainties on the predicted performance of the NMT system. The joint probability distributions of the process performance indicators suggest a Stirling Engine (SE) power output in the range of 61.5-73 W with a high confidence interval (CI) of 95%. In addition, there is high probability (with 95% CI) that the NMT system can achieve positive net power output between 15.8 and 35 W. A sensitivity study reveals the system power performance is mostly affected by SE heater temperature. Investigation into the environmental performance of the NMT design, including water recovery and CO 2 /NO x emissions, suggests significant environmental benefits compared to conventional systems. Results of the probabilistic analysis can better inform future improvements on the system design and operational strategy and this probabilistic assessment framework can also be applied to similar complex engineering systems.

  9. Spatiotemporal Variability of Turbulence Kinetic Energy Budgets in the Convective Boundary Layer over Both Simple and Complex Terrain

    Energy Technology Data Exchange (ETDEWEB)

    Rai, Raj K. [Pacific Northwest National Laboratory, Richland, Washington; Berg, Larry K. [Pacific Northwest National Laboratory, Richland, Washington; Pekour, Mikhail [Pacific Northwest National Laboratory, Richland, Washington; Shaw, William J. [Pacific Northwest National Laboratory, Richland, Washington; Kosovic, Branko [National Center for Atmospheric Research, Boulder, Colorado; Mirocha, Jeffrey D. [Lawrence Livermore National Laboratory, Livermore, California; Ennis, Brandon L. [Sandia National Laboratories, Albuquerque, New Mexico

    2017-12-01

    The assumption of sub-grid scale (SGS) horizontal homogeneity within a model grid cell, which forms the basis of SGS turbulence closures used by mesoscale models, becomes increasingly tenuous as grid spacing is reduced to a few kilometers or less, such as in many emerging high-resolution applications. Herein, we use the turbulence kinetic energy (TKE) budget equation to study the spatio-temporal variability in two types of terrain—complex (Columbia Basin Wind Energy Study [CBWES] site, north-eastern Oregon) and flat (ScaledWind Farm Technologies [SWiFT] site, west Texas) using the Weather Research and Forecasting (WRF) model. In each case six-nested domains (three domains each for mesoscale and large-eddy simulation [LES]) are used to downscale the horizontal grid spacing from 10 km to 10 m using the WRF model framework. The model output was used to calculate the values of the TKE budget terms in vertical and horizontal planes as well as the averages of grid cells contained in the four quadrants (a quarter area) of the LES domain. The budget terms calculated along the planes and the mean profile of budget terms show larger spatial variability at CBWES site than at the SWiFT site. The contribution of the horizontal derivative of the shear production term to the total production shear was found to be 45% and 15% of the total shear, at the CBWES and SWiFT sites, respectively, indicating that the horizontal derivatives applied in the budget equation should not be ignored in mesoscale model parameterizations, especially for cases with complex terrain with <10 km scale.

  10. Energy-based method for near-real time modeling of sound field in complex urban environments.

    Science.gov (United States)

    Pasareanu, Stephanie M; Remillieux, Marcel C; Burdisso, Ricardo A

    2012-12-01

    Prediction of the sound field in large urban environments has been limited thus far by the heavy computational requirements of conventional numerical methods such as boundary element (BE) or finite-difference time-domain (FDTD) methods. Recently, a considerable amount of work has been devoted to developing energy-based methods for this application, and results have shown the potential to compete with conventional methods. However, these developments have been limited to two-dimensional (2-D) studies (along street axes), and no real description of the phenomena at issue has been exposed. Here the mathematical theory of diffusion is used to predict the sound field in 3-D complex urban environments. A 3-D diffusion equation is implemented by means of a simple finite-difference scheme and applied to two different types of urban configurations. This modeling approach is validated against FDTD and geometrical acoustic (GA) solutions, showing a good overall agreement. The role played by diffraction near buildings edges close to the source is discussed, and suggestions are made on the possibility to predict accurately the sound field in complex urban environments, in near real time simulations.

  11. Theoretical investigation of potential energy surface and bound states for the van der Waals complex Ar–BrCl dimer

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Rui [School of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou (China); Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China); Li, Song, E-mail: lsong@yangtzeu.edu.cn [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Chen, Shan-Jun; Chen, Yan [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Zheng, Li-Min [Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China)

    2015-09-08

    Highlights: • A two-dimensional potential for Ar–BrCl is constructed at the CCSD(T) level. • The PES is characterized by three minima and two saddle points between them. • Bound state calculations were carried out for the complex. - Abstract: The intermolecular potential energy surface (PES) of the ground electronic state for the Ar–BrCl dimer is constructed at the CCSD(T) level with the aug-cc-pVQZ basis set and mid-bond functions. The PES is characterized by three minima and two saddle points. The global minimum corresponding to a collinear Ar–BrCl configuration, which has been observed experimentally, is located at R = 4.10 Å and θ = 2.5° with a well depth of −285.207 cm{sup −1}. A nearly T-shaped structure and an anti-linear Ar–ClBr geometry is also predicted. The bound state calculations are preformed to study intermolecular vibrational modes, rotational levels and average structures for the complex. Our transition frequencies, spectroscopic constants and average structures for all isotopomers of the collinear isomer agree well with experimental data. We have also provided pure rotational transitional frequencies for both nearly T-shaped and anti-linear isomers. These results are significant for further experimental investigations of the Ar–BrCl dimer.

  12. A novel construction of complex-valued Gaussian processes with arbitrary spectral densities and its application to excitation energy transfer.

    Science.gov (United States)

    Chen, Xin; Cao, Jianshu; Silbey, Robert J

    2013-06-14

    The recent experimental discoveries about excitation energy transfer (EET) in light harvesting antenna (LHA) attract a lot of interest. As an open non-equilibrium quantum system, the EET demands more rigorous theoretical framework to understand the interaction between system and environment and therein the evolution of reduced density matrix. A phonon is often used to model the fluctuating environment and convolutes the reduced quantum system temporarily. In this paper, we propose a novel way to construct complex-valued Gaussian processes to describe thermal quantum phonon bath exactly by converting the convolution of influence functional into the time correlation of complex Gaussian random field. Based on the construction, we propose a rigorous and efficient computational method, the covariance decomposition and conditional propagation scheme, to simulate the temporarily entangled reduced system. The new method allows us to study the non-Markovian effect without perturbation under the influence of different spectral densities of the linear system-phonon coupling coefficients. Its application in the study of EET in the Fenna-Matthews-Olson model Hamiltonian under four different spectral densities is discussed. Since the scaling of our algorithm is linear due to its Monte Carlo nature, the future application of the method for large LHA systems is attractive. In addition, this method can be used to study the effect of correlated initial condition on the reduced dynamics in the future.

  13. Inclusion of the strong interaction in low-energy hydrogen-antihydrogen scattering using a complex potential

    International Nuclear Information System (INIS)

    Armour, E A G; Liu, Y; Vigier, A

    2005-01-01

    The aim of experimentalists currently working on the preparation of antihydrogen is to trap it at very low temperatures so that its properties can be studied. Any process that can lead to loss of antihydrogen is thus of great concern to them. In view of this, we have carried out a calculation of the antiproton annihilation cross section in very low-energy hydrogen-antihydrogen scattering using a complex potential to represent the strong interaction that brings about the annihilation. The potential takes into account the isotopic spin state of the proton and the antiproton and the possibility that they may be in either a singlet or a triplet spin state. The results for the annihilation cross section and the percentage change in the elastic cross section due to the inclusion of the strong interaction are similar to those obtained in a recent calculation (Jonsell et al 2004 J. Phys. B: At. Mol. Opt. Phys. 37 1195), using an effective range expansion. They are smaller by a factor of 2 and 3, respectively, than those obtained in an earlier calculation (Voronin and Carbonell 2001 Nucl. Phys. A 689 529c), using a coupled channel method and a complex strong interaction potential. (letter to the editor)

  14. The economics of nuclear energy revisited: lessons from the use of a complex technology subject to major accidents

    International Nuclear Information System (INIS)

    Finon, D.

    2012-01-01

    The Fukushima accident again raises the issue of the social and economic viability of nuclear technology. To reassess this viability, we analyze the methods used to internalize the external costs of nuclear energy. These have over time become increasingly complex technologically and specifically affected by major accidents. This combination has served to upset the classical learning curve, calling into question nuclear cost base, social acceptance in the face of climate change and profitability for investors. It has become essential to put in place independent institutions to regulate the safety aspect of nuclear technology and these form a hindrance to its standardization, in turn affecting competitiveness. Nevertheless, the paper argues that the new sequence of internalization of external costs triggered by Fukushima will have limited effects on overall costs, because of previous measures already taken to improve safety. The complexity of nuclear technology is reaching its asymptote: the challenge of 'learning from major accidents' will decrease. On the other hand, the independence and competence of nuclear safety authorities in all countries must be revamped to maximize safety and minimize residual risks. This cannot just be done by decree. However, it is the only way to preserve this global public good - the social acceptance of nuclear technology

  15. Potential energy surface of the CO{sub 2}–N{sub 2} van der Waals complex

    Energy Technology Data Exchange (ETDEWEB)

    Nasri, Sameh; Ajili, Yosra [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications-LSAMA, Université de Tunis El Manar, Tunis (Tunisia); Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Jaidane, Nejm-Eddine [Laboratoire de Spectroscopie Atomique, Moléculaire et Applications-LSAMA, Université de Tunis El Manar, Tunis (Tunisia); Kalugina, Yulia N. [Department of Optics and Spectroscopy, Tomsk State University, 36 Lenin Ave., Tomsk 634050 (Russian Federation); Halvick, Philippe; Stoecklin, Thierry [Institut des Sciences Moléculaires, Université de Bordeaux, CNRS UMR 5255, 33405 Talence Cedex (France); Hochlaf, Majdi, E-mail: hochlaf@univ-mlv.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)

    2015-05-07

    Four-dimensional potential energy surface (4D-PES) of the atmospherically relevant CO{sub 2}–N{sub 2} van der Waals complex is generated using the explicitly correlated coupled cluster with single, double, and perturbative triple excitation (CCSD(T)-F12) method in conjunction with the augmented correlation consistent triple zeta (aug-cc-pVTZ) basis set. This 4D-PES is mapped along the intermonomer coordinates. An analytic fit of this 4D-PES is performed. Our extensive computations confirm that the most stable form corresponds to a T-shape structure where the nitrogen molecule points towards the carbon atom of CO{sub 2}. In addition, we located a second isomer and two transition states in the ground state PES of CO{sub 2}–N{sub 2}. All of them lay below the CO{sub 2} + N{sub 2} dissociation limit. This 4D-PES is flat and strongly anisotropic along the intermonomer coordinates. This results in the possibility of the occurrence of large amplitude motions within the complex, such as the inversion of N{sub 2}, as suggested in the recent spectroscopic experiments. Finally, we show that the experimentally established deviations from the C{sub 2v} structure at equilibrium for the most stable isomer are due to the zero-point out-of-plane vibration correction.

  16. Energy

    International Nuclear Information System (INIS)

    Meister, F.; Ott, F.

    2002-01-01

    This chapter gives an overview of the current energy economy in Austria. The Austrian political aims of sustainable development and climate protection imply a reorientation of the Austrian energy policy as a whole. Energy consumption trends (1993-1998), final energy consumption by energy carrier (indexed data 1993-1999), comparative analysis of useful energy demand (1993 and 1999) and final energy consumption of renewable energy sources by sector (1996-1999) in Austria are given. The necessary measures to be taken in order to reduce the energy demand and increased the use of renewable energy are briefly mentioned. Figs. 5. (nevyjel)

  17. Effect of palladium α-lipoic acid complex on energy in the brain mitochondria of aged rats.

    Science.gov (United States)

    Ajith, Thekkuttuparambil Ananthanarayanan; Nima, Nalin; Veena, Ravindran Kalathil; Janardhanan, Kainoor Krishnankutty; Antonawich, Francis

    2014-01-01

    According to the mitochondrial mutation theory of aging, the impairment of mitochondrial functions and decline of cellular bioenergetics are induced by highly reactive oxygen species (ROS). Supplementation with antioxidants may protect mitochondria against respiration-linked oxidative stress and reduce decay by preserving genomic and structural integrity. Several clinical studies have reported beneficial effects of α-lipoic acid (LA) administration in individuals with Alzheimer's disease, particularly improving their spatial orientation; however, no studies have been reported on the effects of palladium α-lipoic acid (Pd-LA). The current study examined the effects of the Pd-LA complex on mitochondrial energy status in the brains of aged rats. The study used male Wistar rats, some that were older than 24 mo and weighed approximately 350 ± 50 g and some that were younger than 24 mo and weighed approximately 175 ± 25 g. The research team divided the rats into 5 groups of 6 rats. The study was conducted at the Amala Cancer Research Centre in Amala Nagar, Thrissur, Kerala, India. Three groups of rats were controls: (1) young controls administered no solution, (2) aged controls administered 1 mL/kg of a 0.25% solution (PO) of sodium hydroxide (NaOH), and (3) positive aged controls treated with LA (7.6 mg/kg, PO) dissolved in an alkaline saline (0.25% NaOH, w/v). Two groups were intervention groups: (1) aged rats treated with 1.2 mg/kg of Pd-LA (PO) and (2) aged rats treated with 23.5 mg/kg of Pd-LA (PO). The research team administered the solutions once daily for 30 d. After 30 d, all animals were sacrificed. The research team evaluated serum transaminases, lactate dehydrogenase (LDH), serum urea, and creatinine. The activities of superoxide dismutase (SOD), catalase (CAT), and the levels of reduced glutathione (GSH) were determined in the blood samples. Krebs cycle dehydrogenases were evaluated in the brain mitochondria. Furthermore, the activities of the

  18. Energy

    International Nuclear Information System (INIS)

    Meister, F.

    2001-01-01

    This chapter of the environmental control report deals with the environmental impact of energy production, energy conversion, atomic energy and renewable energy. The development of the energy consumption in Austria for the years 1993 to 1999 is given for the different energy types. The development of the use of renewable energy sources in Austria is given, different domestic heat-systems are compared, life cycles and environmental balance are outlined. (a.n.)

  19. Two photon absorption energy transfer in the light-harvesting complex of photosystem II (LHC-II) modified with organic boron dye

    Science.gov (United States)

    Chen, Li; Liu, Cheng; Hu, Rui; Feng, Jiao; Wang, Shuangqing; Li, Shayu; Yang, Chunhong; Yang, Guoqiang

    2014-07-01

    The plant light-harvesting complexes of photosystem II (LHC-II) play important roles in collecting solar energy and transferring the energy to the reaction centers of photosystems I and II. A two photon absorption compound, 4-(bromomethyl)-N-(4-(dimesitylboryl)phenyl)-N-phenylaniline (DMDP-CH2Br), was synthesized and covalently linked to the LHC-II in formation of a LHC-II-dye complex, which still maintained the biological activity of LHC-II system. Under irradiation with femtosecond laser pulses at 754 nm, the LHC-II-dye complex can absorb two photons of the laser light effectively compared with the wild type LHC-II. The absorbed excitation energy is then transferred to chlorophyll a with an obvious fluorescence enhancement. The results may be interesting and give potentials for developing hybrid photosystems.

  20. Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids

    International Nuclear Information System (INIS)

    Eisenberg, Bob; Hyon, YunKyong; Liu, Chun

    2010-01-01

    Ionic solutions are mixtures of interacting anions and cations. They hardly resemble dilute gases of uncharged noninteracting point particles described in elementary textbooks. Biological and electrochemical solutions have many components that interact strongly as they flow in concentrated environments near electrodes, ion channels, or active sites of enzymes. Interactions in concentrated environments help determine the characteristic properties of electrodes, enzymes, and ion channels. Flows are driven by a combination of electrical and chemical potentials that depend on the charges, concentrations, and sizes of all ions, not just the same type of ion. We use a variational method EnVarA (energy variational analysis) that combines Hamilton’s least action and Rayleigh’s dissipation principles to create a variational field theory that includes flow, friction, and complex structure with physical boundary conditions. EnVarA optimizes both the action integral functional of classical mechanics and the dissipation functional. These functionals can include entropy and dissipation as well as potential energy. The stationary point of the action is determined with respect to the trajectory of particles. The stationary point of the dissipation is determined with respect to rate functions (such as velocity). Both variations are written in one Eulerian (laboratory) framework. In variational analysis, an “extra layer” of mathematics is used to derive partial differential equations. Energies and dissipations of different components are combined in EnVarA and Euler–Lagrange equations are then derived. These partial differential equations are the unique consequence of the contributions of individual components. The form and parameters of the partial differential equations are determined by algebra without additional physical content or assumptions. The partial differential equations of mixtures automatically combine physical properties of individual (unmixed) components

  1. Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids.

    Science.gov (United States)

    Eisenberg, Bob; Hyon, Yunkyong; Liu, Chun

    2010-09-14

    Ionic solutions are mixtures of interacting anions and cations. They hardly resemble dilute gases of uncharged noninteracting point particles described in elementary textbooks. Biological and electrochemical solutions have many components that interact strongly as they flow in concentrated environments near electrodes, ion channels, or active sites of enzymes. Interactions in concentrated environments help determine the characteristic properties of electrodes, enzymes, and ion channels. Flows are driven by a combination of electrical and chemical potentials that depend on the charges, concentrations, and sizes of all ions, not just the same type of ion. We use a variational method EnVarA (energy variational analysis) that combines Hamilton's least action and Rayleigh's dissipation principles to create a variational field theory that includes flow, friction, and complex structure with physical boundary conditions. EnVarA optimizes both the action integral functional of classical mechanics and the dissipation functional. These functionals can include entropy and dissipation as well as potential energy. The stationary point of the action is determined with respect to the trajectory of particles. The stationary point of the dissipation is determined with respect to rate functions (such as velocity). Both variations are written in one Eulerian (laboratory) framework. In variational analysis, an "extra layer" of mathematics is used to derive partial differential equations. Energies and dissipations of different components are combined in EnVarA and Euler-Lagrange equations are then derived. These partial differential equations are the unique consequence of the contributions of individual components. The form and parameters of the partial differential equations are determined by algebra without additional physical content or assumptions. The partial differential equations of mixtures automatically combine physical properties of individual (unmixed) components. If a new

  2. Energy variational analysis of ions in water and channels: Field theory for primitive models of complex ionic fluids

    Science.gov (United States)

    Eisenberg, Bob; Hyon, YunKyong; Liu, Chun

    2010-09-01

    Ionic solutions are mixtures of interacting anions and cations. They hardly resemble dilute gases of uncharged noninteracting point particles described in elementary textbooks. Biological and electrochemical solutions have many components that interact strongly as they flow in concentrated environments near electrodes, ion channels, or active sites of enzymes. Interactions in concentrated environments help determine the characteristic properties of electrodes, enzymes, and ion channels. Flows are driven by a combination of electrical and chemical potentials that depend on the charges, concentrations, and sizes of all ions, not just the same type of ion. We use a variational method EnVarA (energy variational analysis) that combines Hamilton's least action and Rayleigh's dissipation principles to create a variational field theory that includes flow, friction, and complex structure with physical boundary conditions. EnVarA optimizes both the action integral functional of classical mechanics and the dissipation functional. These functionals can include entropy and dissipation as well as potential energy. The stationary point of the action is determined with respect to the trajectory of particles. The stationary point of the dissipation is determined with respect to rate functions (such as velocity). Both variations are written in one Eulerian (laboratory) framework. In variational analysis, an "extra layer" of mathematics is used to derive partial differential equations. Energies and dissipations of different components are combined in EnVarA and Euler-Lagrange equations are then derived. These partial differential equations are the unique consequence of the contributions of individual components. The form and parameters of the partial differential equations are determined by algebra without additional physical content or assumptions. The partial differential equations of mixtures automatically combine physical properties of individual (unmixed) components. If a new

  3. Combustion energies and standard molar enthalpies of formation for the complexes of the first-row transitional metal chlorides with L-α-histidine

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Seven novel solid complexes of the first-row transitional metal with L-α-histidine were synthesized, and their compositions were determined. The constant-volume combustion energies of the complexes were measured by a precision rotation bomb calorimeter. The standard molar enthalpies of combustion and the standard molar enthalpies of formation were calculated. The results indicated thatthe plots of the standard enthalpies of formation against the atomic number of the metal show a regularity of zigzag.

  4. Size-dependent binding energies and fine-structure splitting of excitonic complexes in single InAs/GaAs quantum dots

    International Nuclear Information System (INIS)

    Rodt, S.; Seguin, R.; Schliwa, A.; Guffarth, F.; Poetschke, K.; Pohl, U.W.; Bimberg, D.

    2007-01-01

    A systematic study of excitonic complexes confined in single InAs/GaAs quantum dots is presented. Emphasis is placed on the recombination energies of the excitonic complexes and on the fine-structure splitting of the bright exciton ground state. The values depend in a characteristic way on the size of the respective quantum dot which controls the number of bound hole states and the piezoelectric potential

  5. Refined ab initio intermolecular ground-state potential energy surface for the He-C2H2 van der Waals complex

    DEFF Research Database (Denmark)

    Fernández, Berta; Henriksen, Christian; Farrelly, David

    2013-01-01

    A refined CCSD(T) intermolecular potential energy surface is developed for the He-C2H2 van der Waals complex. For this, 206 points on the intermolecular potential energy surface, evaluated using the CCSD(T) method and the aug-cc-pVQZ basis set extended with a set of 3s3p2d1f1g midbond functions...

  6. Energy and carbon emissions analysis and prediction of complex petrochemical systems based on an improved extreme learning machine integrated interpretative structural model

    International Nuclear Information System (INIS)

    Han, Yongming; Zhu, Qunxiong; Geng, Zhiqiang; Xu, Yuan

    2017-01-01

    Highlights: • The ELM integrated ISM (ISM-ELM) method is proposed. • The proposed method is more efficient and accurate than the ELM through the UCI data set. • Energy and carbon emissions analysis and prediction of petrochemical industries based ISM-ELM is obtained. • The proposed method is valid in improving energy efficiency and reducing carbon emissions of ethylene plants. - Abstract: Energy saving and carbon emissions reduction of the petrochemical industry are affected by many factors. Thus, it is difficult to analyze and optimize the energy of complex petrochemical systems accurately. This paper proposes an energy and carbon emissions analysis and prediction approach based on an improved extreme learning machine (ELM) integrated interpretative structural model (ISM) (ISM-ELM). ISM based the partial correlation coefficient is utilized to analyze key parameters that affect the energy and carbon emissions of the complex petrochemical system, and can denoise and reduce dimensions of data to decrease the training time and errors of the ELM prediction model. Meanwhile, in terms of the model accuracy and the training time, the robustness and effectiveness of the ISM-ELM model are better than the ELM through standard data sets from the University of California Irvine (UCI) repository. Moreover, a multi-inputs and single-output (MISO) model of energy and carbon emissions of complex ethylene systems is established based on the ISM-ELM. Finally, detailed analyses and simulations using the real ethylene plant data demonstrate the effectiveness of the ISM-ELM and can guide the improvement direction of energy saving and carbon emissions reduction in complex petrochemical systems.

  7. Energy

    International Nuclear Information System (INIS)

    Bobin, J.L.

    1996-01-01

    Object of sciences and technologies, energy plays a major part in economics and relations between nations. Jean-Louis Bobin, physicist, analyses the relations between man and energy and wonders about fears that delivers nowadays technologies bound to nuclear energy and about the fear of a possible shortage of energy resources. (N.C.). 17 refs., 14 figs., 2 tabs

  8. A METHOD OF COMPLEX AUTOMATED MONITORING OF UKRAINIAN POWER ENERGY SYSTEM OBJECTS TO INCREASE ITS OPERATION SAFETY

    Directory of Open Access Journals (Sweden)

    Ye.I. Sokol

    2016-05-01

    Full Text Available The paper describes an algorithm of the complex automated monitoring of Ukraine’s power energy system, aimed at ensuring safety of its personnel and equipment. This monitoring involves usage of unmanned aerial vehicles (UAVs for planned and unplanned registration status of power transmission lines (PTL and high-voltage substations (HVS. It is assumed that unscheduled overflights will be made in emergency situations on power lines. With the help of the UAV, pictures of transmission and HVS will be recorded from the air in the optical and infrared ranges, as well as strength of electric (EF and magnetic (MF fields will be measured along the route of flight. Usage specially developed software allows to compare the recorded pictures with pre-UAV etalon patterns corresponding to normal operation of investigated transmission lines and the HVSs. Such reference pattern together with the experimentally obtained maps of HVS’s protective grounding will be summarized in a single document – a passport of HVS and PTL. This passport must also contain the measured and calculated values of strength levels of EF and MF in the places where staff of power facilities stay as well as layout of equipment, the most vulnerable to the effects of electromagnetic interference. If necessary, as part of ongoing monitoring, recommendations will be given on the design and location of electromagnetic screens, reducing the levels of electromagnetic interference as well as on location of lightning rods, reducing probability lightning attachment to the objects. The paper presents analytic expressions, which formed the basis of the developed software for calculation of the EF strength in the vicinity of power lines. This software will be used as a base at UAV navigation along the transmission lines, as well as to detect violations in the transmission lines operation. Comparison of distributions of EF strength calculated with the help of the elaborated software with the known

  9. Energy

    CERN Document Server

    Foland, Andrew Dean

    2007-01-01

    Energy is the central concept of physics. Unable to be created or destroyed but transformable from one form to another, energy ultimately determines what is and isn''t possible in our universe. This book gives readers an appreciation for the limits of energy and the quantities of energy in the world around them. This fascinating book explores the major forms of energy: kinetic, potential, electrical, chemical, thermal, and nuclear.

  10. Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.

    Science.gov (United States)

    Hayes, Dugan; Kohler, Lars; Hadt, Ryan G; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L; Chen, Lin X

    2018-01-28

    The kinetics of photoinduced electron and energy transfer in a family of tetrapyridophenazine-bridged heteroleptic homo- and heterodinuclear copper(i) bis(phenanthroline)/ruthenium(ii) polypyridyl complexes were studied using ultrafast optical and multi-edge X-ray transient absorption spectroscopies. This work combines the synthesis of heterodinuclear Cu(i)-Ru(ii) analogs of the homodinuclear Cu(i)-Cu(i) targets with spectroscopic analysis and electronic structure calculations to first disentangle the dynamics at individual metal sites by taking advantage of the element and site specificity of X-ray absorption and theoretical methods. The excited state dynamical models developed for the heterodinuclear complexes are then applied to model the more challenging homodinuclear complexes. These results suggest that both intermetallic charge and energy transfer can be observed in an asymmetric dinuclear copper complex in which the ground state redox potentials of the copper sites are offset by only 310 meV. We also demonstrate the ability of several of these complexes to effectively and unidirectionally shuttle energy between different metal centers, a property that could be of great use in the design of broadly absorbing and multifunctional multimetallic photocatalysts. This work provides an important step toward developing both a fundamental conceptual picture and a practical experimental handle with which synthetic chemists, spectroscopists, and theoreticians may collaborate to engineer cheap and efficient photocatalytic materials capable of performing coulombically demanding chemical transformations.

  11. Gibbs energies of protonation and complexation of platinum and vanadate metal ions with naringenin and phenolic acids: Theoretical calculations associated with experimental values

    International Nuclear Information System (INIS)

    Fazary, Ahmed E.; Alshihri, Ayed S.; Alfaifi, Mohammad Y.; Saleh, Kamel A.; Elbehairi, Serag Eldin I.; Fawy, Khaled F.; Abd-Rabboh, Hisham S.M.

    2016-01-01

    Highlights: • The experimental thermodynamic equilibrium and stability constants of vanadium and platinum complexes involving naringin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined. • The theoretical calculations of the free energy changes associated with the ligand protonation, and metal ion–ligand complex formation equilibria using density function theory calculations, providing a complete picture of the microscopic equilibria of the studied complex systems. - Abstract: The Experimental thermodynamic equilibrium (pK_a values) and stability (log β) constants of vanadium and platinum binary and mixed ligand complexes involving naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined at 310.15 K in 0.16 mol·dm"−"3 KCl aqueous solutions using pH-potentiometric technique and by means of two estimation models (HYPERQUAD 2008 and Bjerrum–Calvin). The theoretical calculations of overall protonation and stability constants of the metal complex species in solution were predicted as the free energy change associated with the ligand protonation, and metal ion–ligand complex formation equilibria (species solvation/de-solvation) using ab initio and density function theory (DFT) calculations. The usage of the experimental potentiometry technique and theoretical predictions provides a complete picture of the microscopic equilibria of the studied systems (vanadium/platinum–naringenin–phenolic acid). Specifically, this theoretically DFT predications would be useful to determine the most real protonation constants of the studied bioligands in which the binding sites changes due to the ligand protonation/deprotonation equilibria. Also, the complexing capacities of vanadium and platinum towards naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid in solutions were evaluated and discussed. From the

  12. DESIGN EXPERIMENT WITH SOLAR ENERGY IN THE ELABORATION OF 25-STOREY RESIDENTIAL COMPLEX FOR THE CRIMEA DISTRICT OF THE SEVASTOPOL CITY

    Directory of Open Access Journals (Sweden)

    Kovaleva Alesya Sergeevna

    2016-09-01

    Full Text Available The scientific project examines the issues of energy efficiency, renewable energy sources, as well as ecology. In today's world the ecological issues are more current than ever. Some of them are ozone holes, disappearance of many species of animals and plants, exhaustible fuel reserves. Ecology is a huge problem of our civilization, which may be solved by paying more attention to energy efficiency in the process of urban development. In the implementation of energy efficiency experiments it is necessary to involve the efforts of scientists, politicians, non-governmental organizations, but first and foremost — of inventors, architects and designers. Energy efficiency in civil construction is presented in the article as an area allowing us to find design solutions basing on renewable energy sources, in particular photocell energy. Project experiment data on a residential high-rise complex in the city of Sevastopol is considered. The author presents design calculations and the comparison of the variants of design decisions on the use of photovoltaic cells producing energy to illuminate the underground car park of a residential high-rise complex. In the future, the use of photovoltaic cells as cladding structures may change the energy characteristics of buildings in case of transition to production scale implementation of the technology. This makes it possible to consider the prospects of urban development growth and improvement of the economy of the construction of expensive facilities. However, subsequent design experiments should be based mostly on other types of facilities and should take into account the impact of wind and aerodynamic performance of buildings in case of application of photovoltaic cells on roofs and facades. The results of the design experiment allow initially investigating the regularities of urban conditions and the amount of energy produced by building surfaces. Thus, the provided concept and the design experiment can be

  13. Cation and anion dependence of stable geometries and stabilization energies of alkali metal cation complexes with FSA(-), FTA(-), and TFSA(-) anions: relationship with physicochemical properties of molten salts.

    Science.gov (United States)

    Tsuzuki, Seiji; Kubota, Keigo; Matsumoto, Hajime

    2013-12-19

    Stable geometries and stabilization energies (Eform) of the alkali metal complexes with bis(fluorosulfonyl)amide, (fluorosulfonyl)(trifluoromethylslufonyl)amide and bis(trifluoromethylsulfonyl)amide (FSA(-), FTA(-) and TFSA(-)) were studied by ab initio molecular orbital calculations. The FSA(-) complexes prefer the bidentate structures in which two oxygen atoms of two SO2 groups have contact with the metal cation. The FTA(-) and TFSA(-) complexes with Li(+) and Na(+) prefer the bidentate structures, while the FTA(-) and TFSA(-) complexes with Cs(+) prefer tridentate structures in which the metal cation has contact with two oxygen atoms of an SO2 group and one oxygen atom of another SO2 group. The two structures are nearly isoenergetic in the FTA(-) and TFSA(-) complexes with K(+) and Rb(+). The magnitude of Eform depends on the alkali metal cation significantly. The Eform calculated for the most stable TFSA(-) complexes with Li(+), Na(+), K(+), Rb(+) and Cs(+) cations at the MP2/6-311G** level are -137.2, -110.5, -101.1, -89.6, and -84.1 kcal/mol, respectively. The viscosity and ionic conductivity of the alkali TFSA molten salts have strong correlation with the magnitude of the attraction. The viscosity increases and the ionic conductivity decreases with the increase of the attraction. The melting points of the alkali TFSA and alkali BETA molten salts also have correlation with the magnitude of the Eform, which strongly suggests that the magnitude of the attraction play important roles in determining the melting points of these molten salts. The anion dependence of the Eform calculated for the complexes is small (less than 2.9 kcal/mol). This shows that the magnitude of the attraction is not the cause of the low melting points of alkali FTA molten salts compared with those of corresponding alkali TFSA molten salts. The electrostatic interactions are the major source of the attraction in the complexes. The electrostatic energies for the most stable TFSA

  14. Free Energy Minimization Calculation of Complex Chemical Equilibria. Reduction of Silicon Dioxide with Carbon at High Temperature.

    Science.gov (United States)

    Wai, C. M.; Hutchinson, S. G.

    1989-01-01

    Discusses the calculation of free energy in reactions between silicon dioxide and carbon. Describes several computer programs for calculating the free energy minimization and their uses in chemistry classrooms. Lists 16 references. (YP)

  15. Hypothalamic roles of mTOR complex I: Integration of nutrient and hormone signals to regulate energy homeostasis

    Science.gov (United States)

    Mammalian or mechanistic target of rapamycin (mTOR) senses nutrient, energy, and hormone signals to regulate metabolism and energy homeostasis. mTOR activity in the hypothalamus, which is associated with changes in energy status, plays a critical role in the regulation of food intake and body weight...

  16. Energy Gap in the Aetiology of Body Weight Gain and Obesity: A Challenging Concept with a Complex Evaluation and Pitfalls

    Directory of Open Access Journals (Sweden)

    Yves Schutz

    2014-01-01

    Full Text Available The concept of energy gap(s is useful for understanding the consequence of a small daily, weekly, or monthly positive energy balance and the inconspicuous shift in weight gain ultimately leading to overweight and obesity. Energy gap is a dynamic concept: an initial positive energy gap incurred via an increase in energy intake (or a decrease in physical activity is not constant, may fade out with time if the initial conditions are maintained, and depends on the ‘efficiency' with which the readjustment of the energy imbalance gap occurs with time. The metabolic response to an energy imbalance gap and the magnitude of the energy gap(s can be estimated by at least two methods, i.e. i assessment by longitudinal overfeeding studies, imposing (by design an initial positive energy imbalance gap; ii retrospective assessment based on epidemiological surveys, whereby the accumulated endogenous energy storage per unit of time is calculated from the change in body weight and body composition. In order to illustrate the difficulty of accurately assessing an energy gap we have used, as an illustrative example, a recent epidemiological study which tracked changes in total energy intake (estimated by gross food availability and body weight over 3 decades in the US, combined with total energy expenditure prediction from body weight using doubly labelled water data. At the population level, the study attempted to assess the cause of the energy gap purported to be entirely due to increased food intake. Based on an estimate of change in energy intake judged to be more reliable (i.e. in the same study population and together with calculations of simple energetic indices, our analysis suggests that conclusions about the fundamental causes of obesity development in a population (excess intake vs. low physical activity or both is clouded by a high level of uncertainty.

  17. Energies; Energies

    Energy Technology Data Exchange (ETDEWEB)

    Cotard, E.

    2002-02-01

    A review is made about the consequences of the European directive on energy that entered into application in august 2000. It appears that most countries are opening their electricity and gas markets at a faster pace than required by the E.U. directive. European gas imports reached 480 Gm{sup 3} in 2000 and are expected to be over 700 Gm{sup 3} in 2015, so the question of the reliability of the gas suppliers has to be answered at the European level. The current time is marked by an increase of the complexity of the energy market that is due to different factors: 1) the delay in the implementation of European energy directives in France, 2) new arrangement is occurring in United-Kingdom in the energy sector, 3) the lack of a regulating authority in Germany, and 4) the difficulty of inter-connecting the different European energy networks. This transitory period may generate some economic imbalances and competition disturbances by allowing some enterprises to benefit from lower energy prices before others. (A.C.)

  18. Energy

    CERN Document Server

    Robertson, William C

    2002-01-01

    Confounded by kinetic energy? Suspect that teaching about simple machines isn t really so simple? Exasperated by electricity? If you fear the study of energy is beyond you, this entertaining book will do more than introduce you to the topic. It will help you actually understand it. At the book s heart are easy-to-grasp explanations of energy basics work, kinetic energy, potential energy, and the transformation of energy and energy as it relates to simple machines, heat energy, temperature, and heat transfer. Irreverent author Bill Robertson suggests activities that bring the basic concepts of energy to life with common household objects. Each chapter ends with a summary and an applications section that uses practical examples such as roller coasters and home heating systems to explain energy transformations and convection cells. The final chapter brings together key concepts in an easy-to-grasp explanation of how electricity is generated. Energy is the second book in the Stop Faking It! series published by NS...

  19. Reconstitution of chlorophyll a/b light-harvesting complexes: xanthophyll-dependent assembly and energy transfer

    Energy Technology Data Exchange (ETDEWEB)

    Plumley, F.G.; Schmidt, G.W.

    1987-01-01

    A method for in vitro reconstitution of the chlorophyll a/b light-harvesting complex from LiDodSO/sub 4//heat-denatured or acetone-extracted photosynthetic membranes has been developed. Characterization of the minimum components necessary for the functional organization or pigments in these membrane complexes reveals that xanthophylls are essential structural components.

  20. Calendar Year 2008 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental LLC

    2009-12-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2008 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2008 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2008 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2008 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the

  1. The mutation of carotenoids affects the energy transfer in LH2 light harvesting complexes from Rhodobacter sphaeroides 601 at room temperature

    International Nuclear Information System (INIS)

    Liu Weimin; Liu Yuan; Guo Lijun; Xu Chunhe; Qian Shixiong

    2006-01-01

    Energy transfer in two kinds of peripheral antenna complexes LH2 from Rhodobacter sphaeroides 601 was studied by absorption, fluorescence emission, time-resolved fluorescence and femtosecond transient absorption spectroscopy at room temperature. These two complexes are LH2 (RS601) and green carotenoid mutated LH2 (GM309). The obtained results demonstrate that: (a) compared with spheroidenes, which have ten carbon-carbon double bonds in native RS601, carotenoids in GM309 were identified as containing neurosporenes with nine carbon-carbon double bonds, which show a significant blue shift of ∼20 nm in the three absorption peaks because of the higher energy levels of neurosporene than those of spheroidene, (b) the higher energy levels of neurosporene in GM309 induce a lower B800 → B850 energy transfer rate and efficiency as compared to that in RS601 resulting from the relatively higher band gap between the donor of B800 and the bridge of the carotenoids (c) the same lifetime of the B850 excited singlet state is observed in these two LH2 complexes

  2. Program-technical complex for collection, processing and archiving of the physical information about chain nuclear reaction based on VMEbus. I. Subsystem for energy supplying control

    International Nuclear Information System (INIS)

    Alpatov, S.V.; Golovanova, Eh.Z.; Gorskaya, E.A.; Dobryanskij, V.M.; Makan'kin, A.M.; Puzynin, V.I.; Samojlov, V.N.; Cheker, A.V.

    1996-01-01

    The substantiation of choice of the hardware and software for integration in program-technical complex is given. The complex is intended for automation of the physical experiments connected with chain nuclear reaction investigations. The subsystem for energy supplying control of experiment is considered in detail. For building the subsystem the 'client-server' architecture is used. The subsystem includes the work station and VMEbus measuring modules in the net. The description of the programs and result formats are given. 5 refs., 6 figs

  3. Ab initio study of the CO-N2 complex: a new highly accurate intermolecular potential energy surface and rovibrational spectrum

    DEFF Research Database (Denmark)

    Cybulski, Hubert; Henriksen, Christian; Dawes, Richard

    2018-01-01

    A new, highly accurate ab initio ground-state intermolecular potential-energy surface (IPES) for the CO-N2 complex is presented. Thousands of interaction energies calculated with the CCSD(T) method and Dunning's aug-cc-pVQZ basis set extended with midbond functions were fitted to an analytical...... function. The global minimum of the potential is characterized by an almost T-shaped structure and has an energy of -118.2 cm-1. The symmetry-adapted Lanczos algorithm was used to compute rovibrational energies (up to J = 20) on the new IPES. The RMSE with respect to experiment was found to be on the order...... of 0.038 cm-1 which confirms the very high accuracy of the potential. This level of agreement is among the best reported in the literature for weakly bound systems and considerably improves on those of previously published potentials....

  4. Energy

    International Nuclear Information System (INIS)

    1975-10-01

    On the occasion of the World Environment Day the Norwegian Ministry for the Environment held a conference on growth problems in energy consumption. The themes which were treated were energy conservation, hydroelectric power, the role of nuclear power, radioactive waste disposal, fossil fuel resources, ecological limits, pollution and international aspects. Nuclear energy forms the main theme of one lecture and an aspect of several others. (JIW)

  5. Energy

    OpenAIRE

    Torriti, Jacopo

    2016-01-01

    The impact of energy policy measures has been assessed with various appraisal and evaluation tools since the 1960s. Decision analysis, environmental impact assessment and strategic environmental assessment are all notable examples of progenitors of Regulatory Impact Assessment (RIA) in the assessment of energy policies, programmes and projects. This chapter provides overview of policy tools which have been historically applied to assess the impacts of energy policies, programmes and projects....

  6. Energies

    International Nuclear Information System (INIS)

    2003-01-01

    In the framework of the National Debate on the energies in a context of a sustainable development some associations for the environment organized a debate on the nuclear interest facing the renewable energies. The first part presents the nuclear energy as a possible solution to fight against the greenhouse effect and the associated problem of the wastes management. The second part gives information on the solar energy and the possibilities of heat and electric power production. A presentation of the FEE (French wind power association) on the situation and the development of the wind power in France, is also provided. (A.L.B.)

  7. The role of compound nuclei and deep-inelastic scattering in complex fragment production at intermediate energies

    International Nuclear Information System (INIS)

    Wozniak, G.J.; Colonna, N.; Charity, R.J.; Moretto, L.G.

    1989-02-01

    The dependence of complex fragment production on the asymmetry of the entrance channel has been investigated with the 18 A MeV 139 La + 12 C, 27 Al, 64 Ni reactions. Invariant cross section plots show a very simple pattern for the two lighter targets and a more complex one for the heavier 64 Ni target. The observed complex fragments are shown to result from quasi-elastic/deep-inelastic reactions and from compound nuclei formed in complete/incomplete fusion processes. 9 refs., 10 figs

  8. Complexity Plots

    KAUST Repository

    Thiyagalingam, Jeyarajan

    2013-06-01

    In this paper, we present a novel visualization technique for assisting the observation and analysis of algorithmic complexity. In comparison with conventional line graphs, this new technique is not sensitive to the units of measurement, allowing multivariate data series of different physical qualities (e.g., time, space and energy) to be juxtaposed together conveniently and consistently. It supports multivariate visualization as well as uncertainty visualization. It enables users to focus on algorithm categorization by complexity classes, while reducing visual impact caused by constants and algorithmic components that are insignificant to complexity analysis. It provides an effective means for observing the algorithmic complexity of programs with a mixture of algorithms and black-box software through visualization. Through two case studies, we demonstrate the effectiveness of complexity plots in complexity analysis in research, education and application. © 2013 The Author(s) Computer Graphics Forum © 2013 The Eurographics Association and Blackwell Publishing Ltd.

  9. Energy transfer between surface-immobilized light-harvesting chlorophyll a/b complex (LHCII) studied by surface plasmon field-enhanced fluorescence spectroscopy (SPFS).

    Science.gov (United States)

    Lauterbach, Rolf; Liu, Jing; Knoll, Wolfgang; Paulsen, Harald

    2010-11-16

    The major light-harvesting chlorophyll a/b complex (LHCII) of the photosynthetic apparatus in green plants can be viewed as a protein scaffold binding and positioning a large number of pigment molecules that combines rapid and efficient excitation energy transfer with effective protection of its pigments from photobleaching. These properties make LHCII potentially interesting as a light harvester (or a model thereof) in photoelectronic applications. Most of such applications would require the LHCII to be immobilized on a solid surface. In a previous study we showed the immobilization of recombinant LHCII on functionalized gold surfaces via a 6-histidine tag (His tag) in the protein moiety. In this work the occurrence and efficiency of Förster energy transfer between immobilized LHCII on a functionalized surface have been analyzed by surface plasmon field-enhanced fluorescence spectroscopy (SPFS). A near-infrared dye was attached to some but not all of the LHC complexes, serving as an energy acceptor to chlorophylls. Analysis of the energy transfer from chlorophylls to this acceptor dye yielded information about the extent of intercomplex energy transfer between immobilized LHCII.

  10. The elastic scattering of K-mesons on the 4He nucleus in the complex momenta theory for the energy region (20-100) GeV

    International Nuclear Information System (INIS)

    Grigoryan, L.A.; Shakhbazyan, V.A.

    1976-01-01

    Determined are differential cross sections for K meson elastic scattering on a 4 He nucleus for the energies of an incident particle equal to 30 and 50 GeV, the total cross section in the range from 10 to 10 3 GeV and the di(GeV/c) 2 versus energy in the range 10-100 GeV. The calculation is carried out with the eikonal and quasieikonal models of the complex moment theory. The effects of inelastic screening are shown to be very essential

  11. Energy-density field approach for low- and medium-frequency vibroacoustic analysis of complex structures using a statistical computational model

    Science.gov (United States)

    Kassem, M.; Soize, C.; Gagliardini, L.

    2009-06-01

    In this paper, an energy-density field approach applied to the vibroacoustic analysis of complex industrial structures in the low- and medium-frequency ranges is presented. This approach uses a statistical computational model. The analyzed system consists of an automotive vehicle structure coupled with its internal acoustic cavity. The objective of this paper is to make use of the statistical properties of the frequency response functions of the vibroacoustic system observed from previous experimental and numerical work. The frequency response functions are expressed in terms of a dimensionless matrix which is estimated using the proposed energy approach. Using this dimensionless matrix, a simplified vibroacoustic model is proposed.

  12. Project management and institutional complexity in domestic housing refurbishment with innovative energy solutions : a case study analysis

    NARCIS (Netherlands)

    Hoppe, Thomas; Lulofs, Kristiaan R.D.

    2011-01-01

    Applying innovative energy solutions (IES) in dense residential areas in the Netherlands is a challenge. This paper presents a typology that supports the analysis and understanding of policy implementation processes to encourage the adoption of innovative energy solutions in urban residential areas.

  13. Restoration and conversion to re-use of historic buildings incorporating increased energy efficiency: A case study - the Haybarn complex, Hilandar Monastery, Mount Athos

    Directory of Open Access Journals (Sweden)

    Ivanović-Šekularac Jelena A.

    2016-01-01

    Full Text Available A proper approach to restoration of historic buildings is crucial for monumental heritage protection. The objective of the paper is to define a methodology for historic buildings restoration in order to increase energy efficiency and re-usability in accordance with modern standards. The main method used in the paper is the observation of historic buildings during their restoration and exploitation, analysis and evaluation of achieved results regarding energy efficiency and energy saving, through the examples of the buildings belonging to Hilandar Monastery, Mount Athos, in Greece. Mount Athos was inscribed on the UNESCO World Heritage List for its cultural and natural values. This case study discusses the abandoned and dilapidated historic buildings of the Haybarn Complex (Stable, Mulekeepers’ House and Haybarn, the achieved results regarding the restoration of these buildings, their energy efficiency and turning into the premises for occasional stays. The research results are recommendations for increasing energy efficiency while performing the restoration of historic buildings, so that these buildings could be re-used in a new way. The most significant contribution of the paper is the practical test of energy refurbishment of these historic buildings conducted using the principles and methods of energy efficiency, in compliance with conservation requirements and authenticity of historic buildings.

  14. Inversion of real and complex phase shifts to potentials by the generalized Cox-Thompson inverse scattering method at fixed energy

    International Nuclear Information System (INIS)

    Melchert, O; Scheid, W; Apagyi, B

    2006-01-01

    The Cox-Thompson inverse scattering method at fixed energy has been generalized to treat complex phase shifts derived from experiments. New formulae for relating phase shifts to shifted angular momenta are derived. The method is applied to phase shifts of known potentials in order to test its quality and stability and, further, it is used to invert experimental n-α and n- 12 C phase shifts

  15. Calendar Year 2005 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    None

    2006-09-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2005 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2005 monitoring data were obtained from groundwater and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge south of Y-12. The CY 2005 monitoring data were obtained under the Y-12 Groundwater Protection Program (GWPP) managed by BWXT Y-12, L.L.C. (BWXT) and several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Data contained in this report meet applicable requirements of DOE Order 450.1 (Environmental Protection Program) regarding evaluation of groundwater and surface water quality in areas: (1) which are, or could be, affected by operations at Y-12 (surveillance monitoring); and (2) where contaminants from Y-12 are most likely to migrate beyond the boundaries of the ORR (exit pathway/perimeter monitoring). However, detailed analysis, evaluation, and interpretation of the CY 2005 monitoring data is deferred to the ''Y-12 Groundwater Protection Program Groundwater Monitoring Data Compendium'' (BWXT 2006). For each monitoring well, spring, and surface water sampling station included in this report, the GWPP Compendium provides: (1) pertinent well installation and construction information; (2) a complete sampling history, including

  16. Calendar Year 2010 Groundwater Monitoring Report, U.S. Department Of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental LLC

    2011-12-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2010 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2010 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2010 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2010 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the

  17. Calendar Year 2007 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental LLC

    2008-12-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2007 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2007 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2007 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by BWXT Y-12, L.L.C. (BWXT), and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). In December 2007, the BWXT corporate name was changed to Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12), which is applied to personnel and organizations throughout CY 2007 for this report. Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2007 monitoring results fulfill requirements of

  18. Calendar Year 2004 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    N/A

    2005-09-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2004 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2004 monitoring data were obtained from groundwater and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge south of Y-12. The CY 2004 monitoring data were obtained under the Y-12 Groundwater Protection Program (GWPP) managed by BWXT Y-12, L.L.C. (BWXT) and several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Data contained in this report meet applicable requirements of DOE Order 450.1 (Environmental Protection Program) regarding evaluation of groundwater and surface water quality in areas: (1) which are, or could be, affected by operations at Y-12 (surveillance monitoring); and (2) where contaminants from Y-12 are most likely to migrate beyond the boundaries of the ORR (exit pathway/perimeter monitoring). However, detailed analysis, evaluation, and interpretation of the CY 2004 monitoring data is deferred to the Y-12 Groundwater Protection Program Groundwater Monitoring Data Compendium (BWXT 2005). For each monitoring well, spring, and surface water sampling station included in this report, the GWPP Compendium provides: (1) pertinent well installation and construction information; (2) a complete sampling history, including sampling methods and

  19. Calendar Year 2011 Groundwater Monitoring Report, U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental LLC,

    2012-12-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2011 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2011 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12. The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. This report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and known extent of groundwater contamination. The CY 2011 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by the DOE Environmental Management (EM) contractor responsible for environmental cleanup on the ORR. In August 2011, URS | CH2M Oak Ridge LLC (UCOR) replaced Bechtel Jacobs Company LLC (BJC) as the DOE EM contractor. For this report, BJC/UCOR will be referenced as the managing contractor for CY 2011. Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC/UCOR (i.e., coordinating sample collection and sharing data) ensures

  20. Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: free energies of binding of water molecules in influenza neuraminidase.

    Science.gov (United States)

    Woods, Christopher J; Shaw, Katherine E; Mulholland, Adrian J

    2015-01-22

    The applicability of combined quantum mechanics/molecular mechanics (QM/MM) methods for the calculation of absolute binding free energies of conserved water molecules in protein/ligand complexes is demonstrated. Here, we apply QM/MM Monte Carlo simulations to investigate binding of water molecules to influenza neuraminidase. We investigate five different complexes, including those with the drugs oseltamivir and peramivir. We investigate water molecules in two different environments, one more hydrophobic and one hydrophilic. We calculate the free-energy change for perturbation of a QM to MM representation of the bound water molecule. The calculations are performed at the BLYP/aVDZ (QM) and TIP4P (MM) levels of theory, which we have previously demonstrated to be consistent with one another for QM/MM modeling. The results show that the QM to MM perturbation is significant in both environments (greater than 1 kcal mol(-1)) and larger in the more hydrophilic site. Comparison with the same perturbation in bulk water shows that this makes a contribution to binding. The results quantify how electronic polarization differences in different environments affect binding affinity and also demonstrate that extensive, converged QM/MM free-energy simulations, with good levels of QM theory, are now practical for protein/ligand complexes.

  1. Dessau-Soprin cultural and sport complex arena, restaurant, community room, swimming pool and curling : municipality of La Peche new construction project, feasibility study and energy saving project

    Energy Technology Data Exchange (ETDEWEB)

    Heon, K. [Dessau-Soprin Inc., Longueuil, PQ (Canada)

    2004-07-27

    The Cultural and sport complex of La Peche is a new construction project which in its first phase will consist of an arena and a community room. The second phase will include a swimming pool and curling facilities. A description of the complex was provided in this paper, including details of square footage, seating, offices and service rooms. An energy consumption analysis was conducted, with details of mechanical and electrical installations, refrigeration system options, and a complete list of architectural options with reference to the commercial building incentive program. Detailed evaluations of scenarios were provided. A reference model was provided with details of standard operational data concerning issues such as lighting density and resurfacings. Two types of heating systems were simulated in the reference model: electric and natural gas with details of consumption levels estimated for both. Later modifications to the reference model were made concerning energy efficiency saving measures. Three compressor types were also evaluated: modular, screw and reciprocating. The most profitable measures reviewed in this document were the following: radiant floor heating; make-up air recovery; central management systems; smaller secondary refrigerant fluid pumps and a low emissivity ceiling. A 20 year period life cycle cost comparison revealed that the complex would recover 20 per cent of the energy rejected by compressors. The use of a 100 per cent heat recovery system would result in savings of $33,962 per year. tabs., figs.

  2. New bases for the evaluation of interaction energies: An ab initio study of the CO-Ne van der Waals complex intermolecular potential and ro-vibrational spectrum

    International Nuclear Information System (INIS)

    Bouzon Capelo, Silvia; Baranowska-Laczkowska, Angelika; Fernandez, Berta

    2011-01-01

    Graphical abstract: CO-Ne IPES. Highlights: → From the LPol, MLPol, and aug-pc-2 bases we obtained new bases for the evaluation of CO-Ne interaction energies. → We checked the bases on the evaluation of the rovibrational spectrum. → The results were satisfactory, being the new bases more efficient than those previously available. - Abstract: Recently we have derived new efficient basis sets for the evaluation of interaction energies in the X-Y (X, Y = He, Ne, Ar) van der Waals complexes. Here we extend the study to the CO-Ne complex. For this, we start with a systematic basis set study, where the LPol, MLPol and Jensen's aug-pc-2 basis sets are considered as starting point (for the Ne atom LPol bases are developed). As reference we take interaction energy results obtained with Dunning's augmented correlation consistent polarized valence basis sets. In all cases we test extensions with different sets of midbond functions. With the selected bases we evaluate CCSD(T) interaction potentials, and to check the potentials further, we obtain the ro-vibrational spectrum of the complex. The results are compared to the available experimental data.

  3. Design of DC-60 cyclotron with the fair ion energy variation for the Inter-disciplinary laboratory complex by L.N. Gumilev Eurasian State University

    International Nuclear Information System (INIS)

    Gukal, B.N.; Itkis, M.G.; Dmitriev, S.N.; Gul'bekyan, G.G.; Franko, J.; Kadyrzhanov, K.K.; Arzumanov, A.A.; Borisenko, A.N.; Lysukhin, S.N.

    2003-01-01

    The DC-60 heavy ions cyclotron pre-design project is implemented. The cyclotron is the key facility of the Inter-disciplinary laboratory complex by L.N. Gumilev Eurasian State University. In comparison with previous project in a new one the possibility for fair variation of the ions energies on 30 % at the expense of magnetic field level change is planed. The magnet structure of the cyclotron allowing to vary the magnet field from 1.25 to 1.65 T with use the low-power magnet coils system is found. The accelerator provides the opportunity for the ions acceleration from Li to Xe with energies from 0.4 to 1.6 MeV/nucleon. The exterior ion source of the ECR type will be planing to use on the cyclotrons and axial beam injection system development will be created. The extending voltage on the ion source is 10-25 kV. For experiments conducting on the cyclotron complex is expecting to create on channel for low energy beams - 10-25 kV per charge (ECR source beams) and three withdrawn channels for accelerated ion beams, one of those will be packaged with necessary equipment for the nuclear filters manufacture. The cyclotron complex will be used for both the fulfillment of a wide range of scientific and applied problems and a students training

  4. Theoretical and experimental study of a calorimetric technique for measuring energy deposition in materials caused by complex pile irradiation

    International Nuclear Information System (INIS)

    Mas, P.; Sciers, P.; Droulers, Y.

    1962-01-01

    Calorimetric methods may be used to measure gamma fluxes greater than 10 6 r/h near the cores of swimming pool reactors. The theory, design, and properties of isothermal calorimeters are discussed, and experimental results obtained with two types are presented. Measurement of energy deposition in materials and the long term integration of energy depositions are other uses of these devices. Results of measurements on heat deposition in steel and water are given. Fluxes were also measured. (authors) [fr

  5. Orbital energies and structural non-rigidity of complex hydrides according to data on ab initio calculations

    Energy Technology Data Exchange (ETDEWEB)

    Boldyrev, A I; Sukhanov, L P; Charkin, O P [AN SSSR, Moscow. Inst. Novykh Khimicheskikh Problem

    1982-01-01

    In approximation by the Hartree-Fock-Routine method using several Gauss type bases ionization potentials of complex hydrides LiBeH/sub 3/, NaBeH/sub 3/, LiMgH/sub 3/, LiBH/sub 4/, NaBH/sub 4/ and LiAlH/sub 4/ have been calculated. A problem of the show of structural non-rigidity of complex molecules L(MX/sub 4/) with tetrahedral anions (MX/sub 4/)/sup -/ in photoelectron spectra is considered.

  6. Selective ligand activity at Nur/retinoid X receptor complexes revealed by dimer-specific bioluminescence resonance energy transfer-based sensors

    Science.gov (United States)

    Giner, Xavier C; Cotnoir-White, David; Mader, Sylvie; Lévesque, Daniel

    2017-01-01

    Retinoid X receptors (RXR) play a role as master regulators due to their capacity to form heterodimers with other nuclear receptors. Accordingly, retinoid signaling is involved in multiple biological processes, including development, cell differentiation, metabolism and cell death. However, the role and functions of RXR in different heterodimer complexes remain unsolved, mainly because most RXR drugs (called rexinoids) are not selective to specific heterodimer complexes. This also strongly limits the use of rexinoids for specific therapeutic approaches. In order to better characterize rexinoids at specific nuclear receptor complexes, we have developed and optimized luciferase protein complementation-based Bioluminescence Resonance Energy Transfer (BRET) assays, which can directly measure recruitment of a co-activator motif fused to yellow fluorescent protein (YFP) by specific nuclear receptor dimers. To validate the assays, we compared rexinoid modulation of co-activator recruitment by RXR homodimer, and heterodimers Nur77/RXR and Nurr1/RXR. Results reveal that some rexinoids display selective co-activator recruitment activities with homo- or hetero-dimer complexes. In particular, SR11237 (BMS649) has increased potency for recruitment of co-activator motif and transcriptional activity with the Nur77/RXR heterodimer compared to other complexes. This technology should prove useful to identify new compounds with specificity for individual dimeric species formed by nuclear receptors. PMID:26148973

  7. Exciton modeling of energy-transfer dynamics in the LHCII complex of higher plants: a Redfield theory approach

    NARCIS (Netherlands)

    Novoderezhkin, V.; Salverda, J.M.; Amerongen, van H.; Grondelle, van R.

    2003-01-01

    We propose an exciton model for the peripheral plant light-harvesting complex LHCII that allows us to explain the absorption (OD) and linear dichroism (LD) spectra, the superradiance (SR), the pump-probe transient absorption (TA), the three-pulse photon echo peak shift (3PEPS), and transient grating

  8. Exciton modeling of energy-transfer dynamics in the LHCII complex of higher plants: A redfield theory approach

    NARCIS (Netherlands)

    Novoderezhkin, V.; Salverda, J.M.; van Amerongen, H.; van Grondelle, R.

    2003-01-01

    We propose an exciton model for the peripheral plant light-harvesting complex LHCII that allows us to explain the absorption (OD) and linear dichroism (LD) spectra, the superradiance (SR), the pump-probe transient absorption (TA), the three-pulse photon echo peak shift (3PEPS), and transient grating

  9. On specific features of neutron spatial-energy distribution formation in a complex cell of a channel water reactor

    International Nuclear Information System (INIS)

    Yurova, L.N.; Naumov, V.I.; Belousov, N.I.

    1979-01-01

    Presented are the results of calculations of spatial-energy neutron distribution formation specific features in the cells with great amount and heterogeneous distribution of water. Considered is the two-region cylindrical cell with the central zone of 4 cm radius, consisting of moderators of different types. The calculation results show, that in the absence of absorption with the energy decrease flattening of neutron flux density by the cell takes place. Here in the case of hydrogen bearing moderator in the central zone the effect of the flux initial perturbation covers the essentially wider energy range, than in the case of hydrogenless moderator. Perturbation effect strongly depends on the composition of the peripheric zone (graphite, heavy water) and the size of the cell. The energy range, which is covered by the perturbation in the case of a hydrogen-bearing moderator in the central zone, is comparable with resonance energy range for uranium-238. A conclusion is made on the limited possibilities of the ''flat flux'' approximation for analyzing the resonance absorption in heterogeneous reactors with essential content of water in the channels

  10. Calendar Year 2009 Groundwater Monitoring Report, U.S. Department of Energy, Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental LLC

    2010-12-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2009 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2009 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12. The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2009 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock & Wilcox Technical Services Y-12, LLC (B&W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2009 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the groundwater and

  11. Calendar Year 2006 Groundwater Monitoring Report, U.S Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    N/A

    2007-09-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2006 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2006 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12 (Figure A.1). The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2006 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by BWXT Y-12, L.L.C. (BWXT), and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., preparing SAPs, coordinating sample collection, and sharing data) ensures that the CY 2006 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the groundwater and

  12. Calendar Year 2009 Groundwater Monitoring Report, U.S. Department of Energy, Y-12 National Security Complex, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    2010-01-01

    This report contains the groundwater and surface water monitoring data that were obtained during calendar year (CY) 2009 at the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12) on the DOE Oak Ridge Reservation (ORR) in Oak Ridge, Tennessee. The CY 2009 monitoring data were obtained from wells, springs, and surface water sampling locations in three hydrogeologic regimes at Y-12. The Bear Creek Hydrogeologic Regime (Bear Creek Regime) encompasses a section of Bear Creek Valley (BCV) between the west end of Y-12 and the west end of the Bear Creek Watershed (directions are in reference to the Y-12 grid system). The Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) encompasses the Y-12 industrial facilities and support structures in BCV. The Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime) encompasses a section of Chestnut Ridge directly south of Y-12. Section 2 of this report provides background information pertinent to groundwater and surface water quality monitoring in each hydrogeologic regime, including the topography and bedrock geology, surface water drainage, groundwater system, and extent of groundwater contamination. The CY 2009 groundwater and surface water monitoring data in this report were obtained from sampling and analysis activities implemented under the Y-12 Groundwater Protection Program (GWPP) managed by Babcock and Wilcox Technical Services Y-12, LLC (B and W Y-12) and from sampling and analysis activities implemented under several monitoring programs managed by Bechtel Jacobs Company LLC (BJC). Cooperative implementation of the monitoring programs directed by the Y-12 GWPP and BJC (i.e., coordinating sample collection and sharing data) ensures that the CY 2009 monitoring results fulfill requirements of all the applicable monitoring drivers with no duplication of sampling and analysis efforts. Section 3 of this report contains a summary of information regarding the

  13. A deep learning framework for the automated inspection of complex dual-energy x-ray cargo imagery

    Science.gov (United States)

    Rogers, Thomas W.; Jaccard, Nicolas; Griffin, Lewis D.

    2017-05-01

    Previously, we investigated the use of Convolutional Neural Networks (CNNs) to detect so-called Small Metallic Threats (SMTs) hidden amongst legitimate goods inside a cargo container. We trained a CNN from scratch on data produced by a Threat Image Projection (TIP) framework that generates images with realistic variation to robustify performance. The system achieved 90% detection of containers that contained a single SMT, while raising 6% false positives on benign containers. The best CNN architecture used the raw high energy image (single-energy) and its logarithm as input channels. Use of the logarithm improved performance, thus echoing studies on human operator performance. However, it is an unexpected result with CNNs. In this work, we (i) investigate methods to exploit material information captured in dual-energy images, and (ii) introduce a new CNN training scheme that generates `spot-the-difference' benign and threat pairs on-the-fly. To the best of our knowledge, this is the first time that CNNs have been applied directly to raw dual-energy X-ray imagery, in any field. To exploit dual-energy, we experiment with adapting several physics-derived approaches to material discrimination from the cargo literature, and introduce three novel variants. We hypothesise that CNNs can implicitly learn about the material characteristics of objects from the raw dual-energy images, and use this to suppress false positives. The best performing method is able to detect 95% of containers containing a single SMT, while raising 0.4% false positives on benign containers. This is a step change improvement in performance over our prior work

  14. How partnership accelerates Open Science: High Energy Physics and INSPIRE, a case study of a complex repository ecosystem

    CERN Document Server

    AUTHOR|(CDS)2079501; Hecker, Bernard Louis; Holtkamp, Annette; Mele, Salvatore; O'Connell, Heath; Sachs, Kirsten; Simko, Tibor; Schwander, Thorsten

    2013-01-01

    Public calls, agency mandates and scientist demand for Open Science are by now a reality with different nuances across diverse research communities. A complex “ecosystem” of services and tools, mostly communityDdriven, will underpin this revolution in science. Repositories stand to accelerate this process, as “openness” evolves beyond text, in lockstep with scholarly communication. We present a case study of a global discipline, HighDEnergy Physics (HEP), where most of these transitions have already taken place in a “social laboratory” of multiple global information services interlinked in a complex, but successful, ecosystem at the service of scientists. We discuss our firstDhand experience, at a technical and organizational level, of leveraging partnership across repositories and with the user community in support of Open Science, along threads relevant to the OR2013 community.

  15. Modelling and simulation of electrical energy systems through a complex systems approach using agent-based models

    Energy Technology Data Exchange (ETDEWEB)

    Kremers, Enrique

    2013-10-01

    Complexity science aims to better understand the processes of both natural and man-made systems which are composed of many interacting entities at different scales. A disaggregated approach is proposed for simulating electricity systems, by using agent-based models coupled to continuous ones. The approach can help in acquiring a better understanding of the operation of the system itself, e.g. on emergent phenomena or scale effects; as well as in the improvement and design of future smart grids.

  16. Femtosecond pump probe spectroscopy for the study of energy transfer of light-harvesting complexes from extractions of spinach leaves

    CSIR Research Space (South Africa)

    Ombinda-Lemboumba, Saturnin

    2009-09-01

    Full Text Available been implemented at the CSIR National Laser Centre and has been applied to investigate energy transfer processes in different parts of photosynthetic systems. In this paper, researchers report on the first results obtained with Malachite green as a...

  17. The influence of large-amplitude librational motion on the hydrogen bond energy for alcohol–water complexes

    DEFF Research Database (Denmark)

    Andersen, Jonas; Heimdal, J.; Larsen, René Wugt

    2015-01-01

    is a superior hydrogen bond acceptor. The class of large-amplitude donor OH librational motion is shown to account for up to 5.1 kJ mol-1 of the destabilizing change of vibrational zero-point energy upon intermolecular OH...O hydrogen bond formation. The experimental findings are supported by complementary...

  18. A Boiler Room in a 600-Bed Hospital Complex: Study, Analysis, and Implementation of Energy Efficiency Improvements

    Directory of Open Access Journals (Sweden)

    Juan-Carlos Fraile

    2014-05-01

    Full Text Available The aim of energy efficiency is to use less energy to provide the same service. In hospitals, energy efficiency offers a powerful and cost-effective tool to reduce greenhouse gas emissions, fuel consumption, and also running costs. Over a six-month period, the six gas-fired boilers that provide both a hospital’s heat and hot water were monitored. Analysis of the data obtained led to several actions being implemented in the hospital boiler room control system to improve the efficiency of the heat production system. Comparative studies were conducted, during similar weather periods, of the performance of the hospital’s hot water production system before and after the controls were implemented. Results indicate that the control actions applied proved to be effective. Finally; the paper offers a financial; primary energy saving and CO2 reduction analysis that points to a 3,434.00 €/week savings in natural gas consumption; and a cut in CO2 emissions of 20.3 tons/week; as compared to the reference facility.

  19. Carotenoids in Energy Transfer and Quenching Processes in Pcb and Pcb-PS I Complexes from Prochlorothrix hollandica

    Czech Academy of Sciences Publication Activity Database

    Durchan, Milan; Herbstová, Miroslava; Fuciman, M.; Gardian, Zdenko; Vácha, František; Polívka, Tomáš

    2010-01-01

    Roč. 114, č. 28 (2010), s. 9275-9282 ISSN 1520-6106 R&D Projects: GA AV ČR IAA608170604; GA AV ČR IAA608170603 Institutional research plan: CEZ:AV0Z50510513 Keywords : carotenoids * oxyphotobacteria * energy transfer Subject RIV: BO - Biophysics Impact factor: 3.603, year: 2010

  20. Highly efficient energy transfer from a carbonyl carotenoid to chlorophyll a in the main light harvesting complex of Chromera velia

    Czech Academy of Sciences Publication Activity Database

    Durchan, Milan; Kesan, G.; Šlouf, M.; Fuciman, M.; Staleva, H.; Tichý, Josef; Litvín, Radek; Bína, David; Vácha, František; Polívka, Tomáš

    2014-01-01

    Roč. 1837, č. 10 (2014), s. 1748-1755 ISSN 0005-2728 R&D Projects: GA ČR(CZ) GAP205/11/1164; GA ČR GBP501/12/G055 Institutional support: RVO:60077344 Keywords : Energy transfer * Light-harvesting * Carbonyl carotenoids Subject RIV: BO - Biophysics Impact factor: 5.353, year: 2014

  1. Extension of Light-Harvesting Ability of Photosynthetic Light-Harvesting Complex 2 (LH2) through Ultrafast Energy Transfer from Covalently Attached Artificial Chromophores.

    Science.gov (United States)

    Yoneda, Yusuke; Noji, Tomoyasu; Katayama, Tetsuro; Mizutani, Naoto; Komori, Daisuke; Nango, Mamoru; Miyasaka, Hiroshi; Itoh, Shigeru; Nagasawa, Yutaka; Dewa, Takehisa

    2015-10-14

    Introducing appropriate artificial components into natural biological systems could enrich the original functionality. To expand the available wavelength range of photosynthetic bacterial light-harvesting complex 2 (LH2 from Rhodopseudomonas acidophila 10050), artificial fluorescent dye (Alexa Fluor 647: A647) was covalently attached to N- and C-terminal Lys residues in LH2 α-polypeptides with a molar ratio of A647/LH2 ≃ 9/1. Fluorescence and transient absorption spectroscopies revealed that intracomplex energy transfer from A647 to intrinsic chromophores of LH2 (B850) occurs in a multiexponential manner, with time constants varying from 440 fs to 23 ps through direct and B800-mediated indirect pathways. Kinetic analyses suggested that B800 chromophores mediate faster energy transfer, and the mechanism was interpretable in terms of Förster theory. This study demonstrates that a simple attachment of external chromophores with a flexible linkage can enhance the light harvesting activity of LH2 without affecting inherent functions of energy transfer, and can achieve energy transfer in the subpicosecond range. Addition of external chromophores, thus, represents a useful methodology for construction of advanced hybrid light-harvesting systems that afford solar energy in the broad spectrum.

  2. Detection of rare-earth-mineral phases by scanning electron microscopy/energy dispersive x-rays (SEM/EDX) in the alkaline complexes of Tamil Nadu

    International Nuclear Information System (INIS)

    Sengupta, S.K.; Nathan, N.P.; Ganesan, V.; Shome, S.

    2005-01-01

    The alkaline complexes of the Southern Granulite Terrain (SGT) are generally restricted within NNW-SSE-trending Dharmapuri Shear Zone (DSZ), extending from Gudiyatham in the north and Bhavani in the south in Tamil Nadu. REE-rich phases have been studied under EDX (Energy Dispersive X-rays) from the different alkaline suites of Tamil Nadu. In Elagiri, the Th-rich epidote/allanite is concentrically zoned and occurs in the outermost coarse sub-solvus syenite, indicating that the REE concentration is restricted within the late-stage magmatic activity. In Koratti, the apatites are LREE rich. In Samalpatti Complex, the carbonatites host a number of REE-rich minerals commonly classified as betafite, along with nioborutite and nioboilmenite. The niobo-rutile and niobo-ilmenite show exsolved texture. The betafite is zoned with mendelyeerite. Some of the molybdenite in Samalpatti is dendritic indicating incomplete crystallisation. In Sivamalai, the REE phases are generally associated with ferrosyenite and nepheline syenite as adsorbed grains around apatite or carbonate. The REE minerals are Zr-REE titanate, REE-titano silicate and REE-yttrium silicate. In the Pikkili Complex, the REE minerals generally occur as rim around apatite and calcite. A discrete metamict allanite grain with radial cracks occurs within syenite. In Pakkanadu Complex zoned allanite occurs with distinct chemical zonation in syenite. Monazite and celesto-barite are associated with barite suggesting that the REE phases are developed in the late intrusive stage. (author)

  3. Oxygen Sensing by the Hybrid Langmuir-Blodgett Films of Iridium(III Complexes and Synthetic Saponite on the Basis of Energy Transfer

    Directory of Open Access Journals (Sweden)

    Hisako Sato

    2017-09-01

    Full Text Available An ultra-thin hybrid film of amphiphilic iridium(III complexes and synthetic saponite was manipulated by means of the modified Langmuir-Blodgett method. In the film deposited onto a quartz substrate, the external mixed molecular layer of amphiphilic iridium(III complexes was reinforced by the inner layer of exfoliated synthetic saponite. As components of the molecular layer, two iridium(III complexes were used: [Ir(dfppy2(dc9bpy]+ (dfppyH = 2-(4′,6′-difluorophenyl pyridine; dc9bpy = 4,4′-dinonyl-2,2′-bipyridine (denoted as DFPPY and [Ir(piq2(dc9bpy]+ (piqH = 1-phenyisoquinoline denoted as PIQ. The emission spectra from the films changed from blue to red maxima with the decrease of a ratio of DFPPY/PIQ due to the energy transfer from excited DFPPY to PIQ. The intensity of red decreased with the increase of oxygen pressure through the quenching of excited iridium(III complexes, promising a possibility as an oxygen-sensing film.

  4. Excitation energy transfer from the bacteriochlorophyll Soret band to carotenoids in the LH2 light-harvesting complex from Ectothiorhodospira haloalkaliphila is negligible.

    Science.gov (United States)

    Razjivin, A P; Lukashev, E P; Kompanets, V O; Kozlovsky, V S; Ashikhmin, A A; Chekalin, S V; Moskalenko, A A; Paschenko, V Z

    2017-09-01

    Pathways of intramolecular conversion and intermolecular electronic excitation energy transfer (EET) in the photosynthetic apparatus of purple bacteria remain subject to debate. Here we experimentally tested the possibility of EET from the bacteriochlorophyll (BChl) Soret band to the singlet S 2 level of carotenoids using femtosecond pump-probe measurements and steady-state fluorescence excitation and absorption measurements in the near-ultraviolet and visible spectral ranges. The efficiency of EET from the Soret band of BChl to S 2 of the carotenoids in light-harvesting complex LH2 from the purple bacterium Ectothiorhodospira haloalkaliphila appeared not to exceed a few percent.

  5. The VAK of vacuum fluctuation, Spontaneous self-organization and complexity theory interpretation of high energy particle physics and the mass spectrum

    International Nuclear Information System (INIS)

    El Naschie, M.S.

    2003-01-01

    The paper is a rather informal introduction to the concepts and results of the E-infinity Cantorian theory of quantum physics. The fundamental tools of complexity theory and non-linear dynamics (Hausdorff dimensions, fat fractals, etc.) are used to give what we think to be a new interpretation of high energy physics and to determine the corresponding mass-spectrum. Particular attention is paid to the role played by the VAK, KAM theorem, Arnold diffusion, Newhaus sinks and knot theory in determining the stability of an elementary 'particle-wave' which emerges in self-organizatory manner out of sizzling vacuum fluctuation

  6. Optimal Design of Complex Passive-Damping Systems for Vibration Control of Large Structures: An Energy-to-Peak Approach

    Directory of Open Access Journals (Sweden)

    Francisco Palacios-Quiñonero

    2014-01-01

    Full Text Available We present a new design strategy that makes it possible to synthesize decentralized output-feedback controllers by solving two successive optimization problems with linear matrix inequality (LMI constraints. In the initial LMI optimization problem, two auxiliary elements are computed: a standard state-feedback controller, which can be taken as a reference in the performance assessment, and a matrix that facilitates a proper definition of the main LMI optimization problem. Next, by solving the second optimization problem, the output-feedback controller is obtained. The proposed strategy extends recent results in static output-feedback control and can be applied to design complex passive-damping systems for vibrational control of large structures. More precisely, by taking advantages of the existing link between fully decentralized velocity-feedback controllers and passive linear dampers, advanced active feedback control strategies can be used to design complex passive-damping systems, which combine the simplicity and robustness of passive control systems with the efficiency of active feedback control. To demonstrate the effectiveness of the proposed approach, a passive-damping system for the seismic protection of a five-story building is designed with excellent results.

  7. The structure and binding energy of K+endash ether complexes: A comparison of MP2, RI-MP2, and density functional methods

    International Nuclear Information System (INIS)

    Feller, D.; Apra, E.; Nichols, J.A.; Bernholdt, D.E.

    1996-01-01

    The structures and binding energies of several cation:ether complexes (K + :dimethyl ether, K + :dimethoxyethane, K + :12-crown-4 and K + :18-crown-6) were determined with second and fourth order perturbation theory using correlation consistent basis sets. Several of these are the largest correlated calculations yet attempted on crown ethers. The observed systematic convergence to the complete basis set limit provides a standard by which the accuracy of previous studies can be measured and facilitates the calibration of density functional methods. Recent Fouier transform ion cyclotron resonance experiments predicted K + :18-crown-6 binding energies which were significantly smaller than ab initio calculations. None of the potential sources of error examined in the present study were large enough to explain this difference. Although the 6-31+G* basis set used in an earlier theoretical study was smaller than the smallest of the correlation consistent basis sets, with suitable correction for basis set superposition error, it appears capable of yielding binding energies within several kcal/mol of the basis set limit. Perturbation theory calculations exploiting the open-quote open-quote resolution of the identity close-quote close-quote approximation were found to faithfully reproduce binding energies and conformational differences. Although the cation endash ether interaction is dominated by classical electrostatics, the accuracy of density functional techniques was found to be quite sensitive to the choice of functionals. The local density SVWN procedure performed well for binding energies and conformational differences, while underestimating K + O distances by up to 0.08 A. The gradient-corrected Becke endash Lee endash Yang endash Parr functional underestimated the K + :12c4 binding energy by 4 endash 7 kcal/mol or 15%. copyright 1996 American Institute of Physics

  8. Hydrocarbon reserves, energy assurance and macroeconomics: a complex balance; Reservas de hidrocarburos, seguridad energetica y macroeconomia: un balance complejo

    Energy Technology Data Exchange (ETDEWEB)

    Alarco Tosoni, German [TYH Economia, S.A. de C.V., Mexico, D.F.(Mexico)

    2006-11-15

    The available public information relative to the limited discovered and undiscovered crude and natural gas reserves in Mexico, from an international comparison perspective, is analyzed. Through the evaluation of the national energy programs, a limited conception of energy security is made clear concerning that posed by the other countries within North America. Various scenarios are stated regarding proved/production reserves to 2020 which will induce, together with the notion of energy security, a reduction in the current production levels - crude oil exports. The paradox referring to the fact that given certain reduction levels in the exports' crude platform, both the product level as well as real public expenditure will rise, is discovered. Finally, the macroeconomic effects of the proposal and of the necessary complementary policies needed to be designed and implemented in order to improve our macroeconomic performance are also evaluated. [Spanish] Se analiza la informacion publica disponible sobre las reservas limitadas de crudo y gas natural descubiertas y no descubiertas de Mexico en una perspectiva internacional comparada. Al evaluar los programas energeticos nacionales se transparenta una concepcion limitada de la seguridad energetica, respecto de lo planteado por los otros paises de America del Norte. Se plantean diferentes escenarios de reservas probadas/produccion al 2020 que inducirian, conjuntamente con la incorporacion de la nocion de seguridad energetica, a reducir los niveles actuales de produccion - exportacion de crudo. Se descubre la paradoja de que para determinados niveles de reduccion de la plataforma de exportacion de crudo tanto el nivel de producto como de gasto publico real aumentan. Por ultimo, se evaluan tanto los efectos macroeconomicos de la propuesta como de algunas politicas complementarias que seria necesario disenar e implantar para mejorar nuestro desempeno macroeconomico.

  9. Waste and effluent management: Experience of the plutonium fuel element fabrication complex at the Commissariat a l'Energie Atomique

    International Nuclear Information System (INIS)

    Arnal, T.; Bailly, H.

    1981-01-01

    Since the start of its activities in 1963, the Cadarache Fuel Fabrication Complex has paid particular attention, in its production balances, to identifiable plutonium losses. These losses are divided into three main components, namely: solid waste, liquid effluents and losses due to the conversion of 241 Pu into 241 Am. The paper briefly deals with the origin of the identifiable losses and the procedures which are being gradually implemented to optimize identification of these losses; first, physical identification (sorting of waste at the source and appropriate training of personnel) and second, analytical identification (non-destructive tests). The identifiable losses are then evaluated quantitatively on the basis of technological improvements of the production lines and measurement equipment. (author)

  10. Reconstructing the eruption magnitude and energy budgets for the pre-historic eruption of the monogenetic ˜5 ka Mt. Gambier Volcanic Complex, south-eastern Australia

    Science.gov (United States)

    van Otterloo, Jozua; Cas, Raymond A. F.

    2013-12-01

    Understanding explosive volcanic eruptions, especially phreatomagmatic eruptions, their intensities and energy budgets is of major importance when it comes to risk and hazard studies. With only a few historic occurrences of phreatomagmatic activity, a large amount of our understanding comes from the study of pre-historic volcanic centres, which causes issues when it comes to preservation and vegetation. In this research, we show that using 3D geometrical modelling it is possible to obtain volume estimates for different deposits of a pre-historic, complex, monogenetic centre, the Mt. Gambier Volcanic Complex, south-eastern Australia. Using these volumes, we further explore the energy budgets and the magnitude of this eruption (VEI 4), including dispersal patterns (eruption columns varying between 5 and 10 km, dispersed towards north-east to south), to further our understanding of intraplate, monogenetic eruptions involving phreatomagmatic activity. We also compare which thermodynamic model fits best in the creation of the maar crater of Mt. Gambier: the major-explosion-dominated model or the incremental growth model. In this case, the formation of most of the craters can best be explained by the latter model.

  11. Standardization of low energy beta and beta-gamma complex emitters by the tracer and the efficiency extrapolation methods

    International Nuclear Information System (INIS)

    Sahagia, M.

    1978-01-01

    The absolute standardization of radioactive solutions of low energy beta emitters and beta-gamma emitters with a high probability of disintegration to the ground state is described; the tracer and the efficiency extrapolation methods were used. Both types of radionuclides were mathematically and physically treated in an unified manner. The theoretical relations between different beta spectra were calculated according to Williams' model and experimentally verified for: 35 S + 60 Co, 35 S + 95 Nb, 147 Pm + 60 Co, 14 C + 95 Nb and two beta branches of 99 Mo. The optimum range of beta efficiency variation was indicated. The basic supposition that all beta efficieny tend to unity in the same time was experimentally verified, using two 192 Ir beta branches. Four computer programs, written in the FORTRAN IV language, were elaborated, for the adequate processing of the experimental data. Good precision coefficients according to international standards were obtained in the absolute standardization of 35 S, 147 Pm, 99 Mo solutions. (author)

  12. The renewable energy industry in Massachussetts as a complex system: Developing a shared understanding for policy making

    Science.gov (United States)

    Jones, Charles A.

    A model-based field study was conducted to understand the mental models of participants in the photovoltaic industry in Massachusetts, with the purpose of understanding of how that industry works as a complex system. Mental models of industry participants are important, both as the holders of the best system information and as the critical actors in any policy solution. Experts from manufacturing, installation, development, policy, and advocacy sectors were interviewed. The knowledge they conveyed was expressed as a set system dynamics models; these models were characterized, compared, and combined in order to answer the following research questions: What are the mental models of participants? How widely are mental models shared among participants? What is the combined model of the system? How accurate are these models? Given these models, what policies would lead to success? The system described by informants is revealed as one of distributed and embedded agency---actors have the ability to take meaningful action, but that action and its effects are limited by the complexity of the system and by the actions of other actors. Both the growth of the industry and constraints on the growth occur through dynamic processes, many however outside local control. Mental models are shared in clusters of informants, with some differences between these groupings. Informants vary on the level of aggregation needed to express their descriptions and on the most important dynamic force. However, many processes are commonly perceived across informants, they perceive the same system trajectories, and the behavior of the simulation models constructed from their mental models was similar. A combined model was constructed which included a full range of potential feedback loops within an abstracted version of the described system. Testing for policy using the combined model reveals that the structures necessary for growth are present, as expected. Under several reasonable conditions

  13. Förster Resonance Energy Transfer (FRET as a Tool for Dissecting the Molecular Mechanisms for Maturation of the Shigella Type III Secretion Needle Tip Complex

    Directory of Open Access Journals (Sweden)

    William D. Picking

    2012-11-01

    Full Text Available Förster resonance energy transfer (FRET provides a powerful tool for monitoring intermolecular interactions and a sensitive technique for studying Å-level protein conformational changes. One system that has particularly benefited from the sensitivity and diversity of FRET measurements is the maturation of the Shigella type III secretion apparatus (T3SA needle tip complex. The Shigella T3SA delivers effector proteins into intestinal cells to promote bacterial invasion and spread. The T3SA is comprised of a basal body that spans the bacterial envelope and a needle with an exposed tip complex that matures in response to environmental stimuli. FRET measurements demonstrated bile salt binding by the nascent needle tip protein IpaD and also mapped resulting structural changes which led to the recruitment of the translocator IpaB. At the needle tip IpaB acts as a sensor for host cell contact but prior to secretion, it is stored as a heterodimeric complex with the chaperone IpgC. FRET analyses showed that chaperone binding to IpaB’s N-terminal domain causes a conformational change in the latter. These FRET analyses, with other biophysical methods, have been central to understanding T3SA maturation and will be highlighted, focusing on the details of the FRET measurements and the relevance to this particular system.

  14. Tech-X Corporation releases simulation code for solving complex problems in plasma physics : VORPAL code provides a robust environment for simulating plasma processes in high-energy physics, IC fabrications and material processing applications

    CERN Multimedia

    2005-01-01

    Tech-X Corporation releases simulation code for solving complex problems in plasma physics : VORPAL code provides a robust environment for simulating plasma processes in high-energy physics, IC fabrications and material processing applications

  15. Ratiometric Time-Gated Luminescence Probe for Nitric Oxide Based on an Apoferritin-Assembled Lanthanide Complex-Rhodamine Luminescence Resonance Energy Transfer System.

    Science.gov (United States)

    Tian, Lu; Dai, Zhichao; Liu, Xiangli; Song, Bo; Ye, Zhiqiang; Yuan, Jingli

    2015-11-03

    Using apoferritin (AFt) as a carrier, a novel ratiometric luminescence probe based on luminescence resonance energy transfer (LRET) between a Tb(3+) complex (PTTA-Tb(3+)) and a rhodamine derivative (Rh-NO), PTTA-Tb(3+)@AFt-Rh-NO, has been designed and prepared for the specific recognition and time-gated luminescence detection of nitric oxide (NO) in living samples. In this LRET probe, PTTA-Tb(3+) encapsulated in the core of AFt is the energy donor, and Rh-NO, a NO-responsive rhodamine derivative, bound on the surface of AFt is the energy acceptor. The probe only emits strong Tb(3+) luminescence because the emission of rhodamine is switched off in the absence of NO. Upon reaction with NO, accompanied by the turn-on of rhodamine emission, the LRET from Tb(3+) complex to rhodamine occurs, which results in the remarkable increase and decrease of the long-lived emissions of rhodamine and PTTA-Tb(3+), respectively. After the reaction, the intensity ratio of rhodamine emission to Tb(3+) emission, I565/I539, is ∼24.5-fold increased, and the dose-dependent enhancement of I565/I539 shows a good linearity in a wide concentration range of NO. This unique luminescence response allowed PTTA-Tb(3+)@AFt-Rh-NO to be conveniently used as a ratiometric probe for the time-gated luminescence detection of NO with I565/I539 as a signal. Taking advantages of high specificity and sensitivity of the probe as well as its good water-solubility, biocompatibility, and cell membrane permeability, PTTA-Tb(3+)@AFt-Rh-NO was successfully used for the luminescent imaging of NO in living cells and Daphnia magna. The results demonstrated the efficacy of the probe and highlighted it's advantages for the ratiometric time-gated luminescence bioimaging application.

  16. Energy management. Thermal engineering analyses of complex processes. Bilancing, modelling and optimization using the production of paper as an example; Energiemanagement. Waermetechnische Analyse komplexer Prozesse. Bilanzieren, Modellieren und Optimieren am Beispiel der Papierherstellung

    Energy Technology Data Exchange (ETDEWEB)

    Treppe, Konrad (ed.); Dixit, Onkar; Mollekopf, Norbert [Technische Univ. Dresden (Germany). Lehrstuhl fuer Thermische Verfahrenstechnik; Kuitunen, Stefan [Fraunhofer Institut fuer Verkehrs- und Infrastruktursysteme, Dresden (Germany); Pinnau, Sebastian [Technische Univ. Dresden (Germany). Professur fuer Technische Thermodynamik; Schinke, Lars [Technische Univ. Dresden (Germany). Professur fuer Gebaeudeenergietechnik und Waermeversorgung; Kamischke, Robert

    2013-08-01

    The energy optimization of complex production processes should be continuous and anchored in everyday operation. Since the year 1950, more than 70 % of the energy conservation could be achieved for example by heat recovery in the manufacture of paper. However, with decreasing temperature it is becoming more complex to use the heat from the exhaust air sensibly. The contribution under consideration supports practitioners in the energy management with regard to more efficient production by improving the energy efficiency. Furthermore, facilities can be made more independent from the uncertain market environment. Smart metering as a method of thermal engineering analysis of complex processes is clearly illustrated by practical examples and is an aid in making investment decisions for or against measures to save energy.

  17. Sustainable and Resilient Design of Interdependent Water and Energy Systems: A Conceptual Modeling Framework for Tackling Complexities at the Infrastructure-Human-Resource Nexus

    Directory of Open Access Journals (Sweden)

    Weiwei Mo

    2018-06-01

    Full Text Available A modeling framework was conceptualized for capturing the complexities in resilience and sustainability associated with integration of centralized and decentralized water and energy systems under future demographic, climate, and technology scenarios. This framework integrates survey instruments for characterizing individual preferences (utility functions related to decentralization of water and energy infrastructure systems. It also includes a spatial agent-based model to develop spatially explicit adoption trajectories and patterns in accordance with utility functions and characteristics of the major metropolitan case study locations as well as a system dynamics model that considers interactions among infrastructure systems, characterizes measures of resilience and sustainability, and feeds these back to the agent-based model. A cross-scale spatial optimization model for understanding and characterizing the possible best case outcomes and for informing the design of policies and incentive/disincentive programs is also included. This framework is able to provide a robust capacity for considering the ways in which future development of energy and water resources can be assessed.

  18. The influence of a selenium-chromium-lipid complex obtained from Chlorella vulgaris on the energy metabolism in rats with experimental diabetes

    Directory of Open Access Journals (Sweden)

    O. Y. Lukashiv

    2017-07-01

    Full Text Available One of the leading roles in treating diabetes mellitus belongs to chrome ions therapy (III, especially in the complex with selenium (IV. Currently selenium is obtained from unicellular algae, which contain biologically active substances and which are capable of accumulating exogenous microelements. By incubating unicellular algae Chlorella vulgaris Biej. in the conditions of aquaculture with sodium selenite (IV and chromium (III chloride, we obtained a biologically active lipid substance which contains selenium and chromium. The substance was tested for the impact on energy metabolism of animals exposed to experimentally induced diabetes mellitus. The diabetes was caused by modeling obesity of the animals with further injection of streptozotocin in the amount of 65 mg/kg and nicotinamide at the dose of 230 mg/kg. The rats were intragastrically injected with 1 ml of 1% starch solution which contained a selenium-chrome-lipid complex extracted from the Chlorella containing 0.6 µg of selenium, 1.05 µg of chrome and 0.5 mg of lipids for prophylactic, therapeutic and prophylactic-therapeutic purposes; the other group of rats for therapeutic purposes was injected with starch solution with the same composition of microelements in inorganic form – sodium selenite (IV and chromium chloride (III. This paper presents the results of our study of the impact of organic and inorganic compounds of chrome and selenium on the energetic metabolism of rats exposed to experimental diabetes mellitus. The analysis determined that in the rats’ organism, the selenium-chrome-lipid complex from the Chlorella improved the indicators of the energetic metabolism – in the group of rats which received it for therapeutic purposes, we observed an up to 7.5 fold increase in the activity of succinate dehydrogenase compared to the rats which did not receive therapeutic treatment. The increase in the activity of succinate dehydrogenase corresponded to the increase in the

  19. Studies on the power output of a MADE AE-30 operating on complex terrain. Annual Energy Production estimation and Multivariable analysis. A case of multi-stall effect

    Energy Technology Data Exchange (ETDEWEB)

    Cuerva, A.

    1996-12-01

    The main need of the EWTS-II Sub-project IV group is to have a suitable data-base which allows it to reach proper conclusions on the characteristics of power performance of wind turbines in complex terrain. With this aim, this document presents an analysis on the power output of the MADE AE-30 Wind turbine operating at Tarifa (also data from flat terrain are enclosed as a reference). An application of the bin method and AEP estimation for energy production method, in the two last issues a directional analysis and an study for two different turbulence intensity ranges are enclosed. Finally the Stepwise multirregression method is applied on the measurements to identify the stored parameters that have influence on the power output. A brief description of multi stall effect is enclosed. (Author)

  20. Studies on the power output of a MADEAE-30 operating on complex terrain. Annual Energy Production estimation and Multivariable analysis. A case of multi-stall effect

    International Nuclear Information System (INIS)

    Cuerva, A.

    1996-01-01

    The main need of the EWTS-II Sub-project IV group is to have a suitable data-base which allows it to reach proper conclusions on the characteristics of power performance of wind turbines in complex terrain. With this aim, this document presents an analysis on the power output of the MADE AE-30 Wind turbine operating at Tarifa (also data from flat terrain are enclosed as a reference). An application of the bin method and AEP estimation for energy production method. In the two last issues a directional analysis and an study for two different turbulence intensity ranges are enclosed. Finally the STEPWISE multirregression method is applied on the measurements to identify the stored parameters that have influence on the power output. A brief description of multi stall effect is enclosed. (Author) 7 refs

  1. Groundwater Protection Program Management Plan for the U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    None

    2001-06-01

    This document presents the Groundwater Protection Program (GWPP) management plan for the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12). The Y-12 GWPP functions as the primary point-of-contact for groundwater-related issues at Y-12, provides stewardship of the extensive network of groundwater monitoring wells at Y-12, and serves as a resource for technical expertise, support, and historical data for groundwater-related activities at Y-12. These organizational functions each serve the primary programmatic purpose of the GWPP, which is to ensure that groundwater monitoring activities within areas under Y-12 administrative control provide representative data in compliance with the multiple purposes of applicable state and federal regulations, DOE orders, and the corporate policies of BWXT Y-12, L.L.C. (hereafter referenced as BWXT Y-12), the Y-12 management and operations (M and O) subcontractor for DOE.

  2. An efficient method to calculate excitation energy transfer in light-harvesting systems: application to the Fenna-Matthews-Olson complex

    International Nuclear Information System (INIS)

    Ritschel, Gerhard; Roden, Jan; Eisfeld, Alexander; Strunz, Walter T

    2011-01-01

    A master equation derived from non-Markovian quantum state diffusion is used to calculate the excitation energy transfer in the photosynthetic Fenna-Matthews-Olson pigment-protein complex at various temperatures. This approach allows us to treat spectral densities that explicitly contain the coupling to internal vibrational modes of the chromophores. Moreover, the method is very efficient and as a result the transfer dynamics can be calculated within about 1 min on a standard PC, making systematic investigations w.r.t. parameter variations tractable. After demonstrating that our approach is able to reproduce the results of the numerically exact hierarchical equations of motion approach, we show how the inclusion of vibrational modes influences the transfer. (paper)

  3. Report of year 2000 version on basic study for promotion of joint implementation. Feasibility study on energy saving at Anshan Iron and Steel Group Complex

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-03-01

    In order to promote the COP3 joint implementation, a survey was conducted in fiscal 1999 at Anshan Iron and Steel Group Complex in China. The complex is the leading iron and steel maker in China. The unit requirement for energy consumption per ton of crude ore is 7.00 Gcal, which is close to 1.4 times that in Japan. The feasibility study has discussed and planned modification of ignition furnace facilities and waste heat recovery in the sintering process, top-pressure gas recovery at uniform pressure, and top-pressure recovery turbine (TRT) in the blast furnace, based on the locally available data and surveys. The modification of the ignition furnace in the sintering process resulted in reduction of fuel consumption of 578.0 TJ/year in the facility No. 2, and 718.9 TJ/year in the facility No. 3. The amount of electric power generated by the TRT is 121.13 GWh/year assuming the annual blast furnace operation factor of 90%. This can be converted to the heat quantity of 1,370 TJ/year. The top-pressure gas recovery amount is 163 TJ/year when converted to the heat quantity. Annual CO2 reduction amounted to 15,373 tons. The profitability was discussed by using the present worth method. Because of coal price being low and the energy unit price being low in China, it was revealed that the profitability at the private sector level could not be achieved. (NEDO)

  4. Hole burning with pressure and electric field: A window on the electronic structure and energy transfer dynamics of bacterial antenna complexes

    Energy Technology Data Exchange (ETDEWEB)

    Wu, H.M.

    1999-02-12

    Light-harvesting (LH) complexes of cyclic (C{sub n}) symmetry from photosynthetic bacteria are studied using absorption and high pressure- and Stark-hole burning spectroscopies. The B800 absorption band of LH2 is inhomogeneously broadened while the B850 band of LH2 and the B875 band of the LH1 complex exhibit significant homogeneous broadening due to ultra-fast inter-exciton level relaxation. The B800{r_arrow}B850 energy transfer rate of ({approximately}2 ps){sup {minus}1} as determined by hole burning and femtosecond pump-probe spectroscopies, is weakly dependent on pressure and temperature, both of which significantly affect the B800-B850 energy gap. The resilience is theoretically explained in terms of a modified Foerster theory with the spectral overlap provided by the B800 fluorescence origin band and weak vibronic absorption bands of B850. Possible explanations for the additional sub-picosecond relaxation channel of B800 observed with excitation on the blue side of B800 are given. Data from pressure and temperature dependent studies show that the B800 and B850 bacteriochlorophyll a (BChl a) molecules are weakly and strongly excitonically coupled, respectively, which is consistent with the X-ray structure of LH2. The B875 BChl a molecules are also strongly coupled. It is concluded that electron-exchange, in addition to electrostatic interactions, is important for understanding the strong coupling of the B850 and B875 rings. The large linear pressure shifts of {approximately}{minus}0.6 cm{sup {minus}1}/MPa associated with B850 and B875 can serve as important benchmarks for electronic structure calculations.

  5. FY 2000 report on the basic survey to promote Joint Implementation, etc. Survey on the energy conservation of the Lianyuan Iron and Steel Group Complex, China; 2000 nendo kyodo jisshi nado suishin kiso chosa hokokusho. Lianyuan tekko sho energy chosa

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-03-01

    For the purpose of conserving energy and reducing greenhouse effect gas emission, a feasibility study was carried out of the installation of energy conservation facilities at the steelworks of Lianyuan Iron and Steel Group Complex, Loudi City, Hunan Province, China. The installation of the following facilities was studied: coke dry quenching (CDQ) equipment, coal moisture control (CMC) equipment, sintering ignition furnace equipment, cooler exhaust heat recovery equipment, top pressure recovery turbine (TRT), and hot stove exhaust heat recovery equipment. As a result of the study, the energy conservation amount was 20,000 toe/y by CDQ, 2,530 toe/y by CMC, 900 toe/y by improvement of ignition furnace in the sintering process, 12,300 toe/y by sintering cooler, 13,200 toe/y by TRT, and 10,300 toe/y by hot stove exhaust heat recovery equipment. Further, the amount of greenhouse effect gas reduction was 61,022 t-CO2/y, 7,843 t-CO2/y, 2,896 t-CO2/y, 38,060 t-CO2/y, 55,295 t-CO2/y, and 40,621 t-CO2/y, respectively. In the estimation of effects vs. expenses, the sintering ignition furnace, sintering cooler exhaust heat recovery, and hot stove exhaust heat recovery indicated the comparatively favorable values. (NEDO)

  6. Phase inversion and frequency doubling of reflection high-energy electron diffraction intensity oscillations in the layer-by-layer growth of complex oxides

    Science.gov (United States)

    Mao, Zhangwen; Guo, Wei; Ji, Dianxiang; Zhang, Tianwei; Gu, Chenyi; Tang, Chao; Gu, Zhengbin; Nie*, Yuefeng; Pan, Xiaoqing

    In situ reflection high-energy electron diffraction (RHEED) and its intensity oscillations are extremely important for the growth of epitaxial thin films with atomic precision. The RHEED intensity oscillations of complex oxides are, however, rather complicated and a general model is still lacking. Here, we report the unusual phase inversion and frequency doubling of RHEED intensity oscillations observed in the layer-by-layer growth of SrTiO3 using oxide molecular beam epitaxy. In contacts to the common understanding that the maximum(minimum) intensity occurs at SrO(TiO2) termination, respectively, we found that both maximum or minimum intensities can occur at SrO, TiO2, or even incomplete terminations depending on the incident angle of the electron beam, which raises a fundamental question if one can rely on the RHEED intensity oscillations to precisely control the growth of thin films. A general model including surface roughness and termination dependent mean inner potential qualitatively explains the observed phenomena, and provides the answer to the question how to prepare atomically and chemically precise surface/interfaces using RHEED oscillations for complex oxides. We thank National Basic Research Program of China (No. 11574135, 2015CB654901) and the National Thousand-Young-Talents Program.

  7. Effect of metal nanoparticles on energy spectra and optical properties of peripheral light-harvesting LH2 complexes from photosynthetic bacteria

    International Nuclear Information System (INIS)

    Goliney, I.Yu.; Sugakov, V.I.; Valkunas, L.; Vertsimakha, G.V.

    2012-01-01

    Highlights: ► Excitons of light-harvesting complexes (LH2) hybridize with plasmon modes. ► Light absorption of LH2 is enhanced by a metal nanoparticle. ► Using nanoshells allows reaching resonance between molecular and plasmons. ► Metal nanoparticles introduce additional channel of excitation decay. ► Light-harvesting may gain from the proper positioning of nanoshells. -- Abstract: The paper explores the theoretical possibility of affecting optical spectra and the quantum yield of the energy transfer in the peripheral light-harvesting complexes (LH2) from photosynthetic bacteria by placing a metal nanoparticle or a nanoshell nearby. An increased probability of the excitonic transition in the LH2 arises due to the borrowing of the oscillator strength from surface plasmons of the metal particle or the nanoshell. While both absorption and quenching of the excitations increase in the vicinity to a metal nanoparticle, having opposite effects, the total yield of the excitation transfer to reaction centers is shown to grow in the certain range of parameters.

  8. Effect of metal nanoparticles on energy spectra and optical properties of peripheral light-harvesting LH2 complexes from photosynthetic bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Goliney, I.Yu., E-mail: igoliney@kinr.kiev.ua [Institute for Nuclear Research, National Academy of Science of Ukraine, 47 Nauki pr., 03680 Kyiv (Ukraine); Sugakov, V.I. [Institute for Nuclear Research, National Academy of Science of Ukraine, 47 Nauki pr., 03680 Kyiv (Ukraine); Valkunas, L. [Center for Physical Sciences and Technology, Savanoriu Ave. 231, 02300 Vilnius (Lithuania); Department of Theoretical Physics, Vilnius University, Sauletekio 9, Build. 3, 10222 Vilnius (Lithuania); Vertsimakha, G.V. [Institute for Nuclear Research, National Academy of Science of Ukraine, 47 Nauki pr., 03680 Kyiv (Ukraine)

    2012-08-24

    Highlights: Black-Right-Pointing-Pointer Excitons of light-harvesting complexes (LH2) hybridize with plasmon modes. Black-Right-Pointing-Pointer Light absorption of LH2 is enhanced by a metal nanoparticle. Black-Right-Pointing-Pointer Using nanoshells allows reaching resonance between molecular and plasmons. Black-Right-Pointing-Pointer Metal nanoparticles introduce additional channel of excitation decay. Black-Right-Pointing-Pointer Light-harvesting may gain from the proper positioning of nanoshells. -- Abstract: The paper explores the theoretical possibility of affecting optical spectra and the quantum yield of the energy transfer in the peripheral light-harvesting complexes (LH2) from photosynthetic bacteria by placing a metal nanoparticle or a nanoshell nearby. An increased probability of the excitonic transition in the LH2 arises due to the borrowing of the oscillator strength from surface plasmons of the metal particle or the nanoshell. While both absorption and quenching of the excitations increase in the vicinity to a metal nanoparticle, having opposite effects, the total yield of the excitation transfer to reaction centers is shown to grow in the certain range of parameters.

  9. The estimation of H-bond and metal ion-ligand interaction energies in the G-Quadruplex ⋯ Mn+ complexes

    Science.gov (United States)

    Mostafavi, Najmeh; Ebrahimi, Ali

    2018-06-01

    In order to characterize various interactions in the G-quadruplex ⋯ Mn+ (G-Q ⋯ Mn+) complexes, the individual H-bond (EHB) and metal ion-ligand interaction (EMO) energies have been estimated using the electron charge densities (ρs) calculated at the X ⋯ H (X = N and O) and Mn+ ⋯ O (Mn+ is an alkaline, alkaline earth and transition metal ion) bond critical points (BCPs) obtained from the atoms in molecules (AIM) analysis. The estimated values of EMO and EHB were evaluated using the structural parameters, results of natural bond orbital analysis (NBO), aromaticity indexes and atomic charges. The EMO value increase with the ratio of ionic charge to radius, e/r, where a linear correlation is observed between EMO and e/r (R = 0.97). Meaningful relationships are also observed between EMO and indexes used for aromaticity estimation. The ENH value is higher than EOH in the complexes; this is in complete agreement with the trend of N⋯Hsbnd N and O⋯Hsbnd N angles, the E (2) value of nN → σ*NH and nO → σ*NH interactions and the difference between the natural charges on the H-bonded atom and the hydrogen atom of guanine (Δq). In general, the O1MO2 angle becomes closer to 109.5° with the increase in EMO and decrease in EHB in the presence of metal ion.

  10. On the accuracy of DFT methods in reproducing ligand substitution energies for transition metal complexes in solution: The role of dispersive interactions

    KAUST Repository

    Jacobsen, Heiko

    2011-12-23

    The performance of a series of density functionals when tested on the prediction of the phosphane substitution energy of transition metal complexes is evaluated. The complexes Fe-BDA and Ru-COD (BDA=benzylideneacetone, COD=cyclooctadiene) serve as reference systems, and calculated values are compared with the experimental values in THF as obtained from calorimetry. Results clearly indicate that functionals specifically developed to include dispersion interactions usually outperform other functionals when BDA or COD substitution is considered. However, when phosphanes of different sizes are compared, functionals including dispersion interactions, at odd with experimental evidence, predict that larger phosphanes bind more strongly than smaller phosphanes, while functionals not including dispersion interaction reproduce the experimental trends with reasonable accuracy. In case of the DFT-D functionals, inclusion of a cut-off distance on the dispersive term resolves this issue, and results in a rather robust behavior whatever ligand substitution reaction is considered. Ne quid nimis: Describing chemical reactions in solution by computational techniques developed for gas-phase scenarios might produce erroneous results (see histogram). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. DNA-histone complexes as ligands amplify cell penetration and nuclear targeting of anti-DNA antibodies via energy-independent mechanisms.

    Science.gov (United States)

    Zannikou, Markella; Bellou, Sofia; Eliades, Petros; Hatzioannou, Aikaterini; Mantzaris, Michael D; Carayanniotis, George; Avrameas, Stratis; Lymberi, Peggy

    2016-01-01

    We have generated three monoclonal cell-penetrating antibodies (CPAbs) from a non-immunized lupus-prone (NZB × NZW)F1 mouse that exhibited high anti-DNA serum titres. These CPAbs are polyreactive because they bind to DNA and other cellular components, and localize mainly in the nucleus of HeLa cells, albeit with a distinct nuclear labelling profile. Herein, we have examined whether DNA-histone complexes (DHC) binding to CPAbs, before cell entry, could modify the cell penetration of CPAbs or their nuclear staining properties. By applying confocal microscopy and image analysis, we found that extracellular binding of purified CPAbs to DHC significantly enhanced their subsequent cell-entry, both in terms of percentages of positively labelled cells and fluorescence intensity (internalized CPAb amount), whereas there was a variable effect on their nuclear staining profile. Internalization of CPAbs, either alone or bound to DHC, remained unaltered after the addition of endocytosis-specific inhibitors at 37° or assay performance at 4°, suggesting the involvement of energy-independent mechanisms in the internalization process. These findings assign to CPAbs a more complex pathogenetic role in systemic lupus erythematosus where both CPAbs and nuclear components are abundant. © 2015 John Wiley & Sons Ltd.

  12. A new approach of chaos and complex network method to study fluctuation and phase transition in nuclear collision at high energy

    Energy Technology Data Exchange (ETDEWEB)

    Bhaduri, Susmita; Bhaduri, Anirban; Ghosh, Dipak [Deepa Ghosh Research Foundation, Kolkata (India)

    2017-06-15

    In the endeavour to study fluctuation and a signature of phase transition in ultrarelativistic nuclear collision during the process of particle production, an approach based on chaos and complex network is proposed. In this work we have attempted an exhaustive study of pion fluctuation in η space, φ space, their cross-correlation and finally two-dimensional fluctuation in terms of scaling of void probability distribution. The analysis is done on the η values and their corresponding φ values extracted from the {sup 32}S-Ag/Br interaction at an incident energy of 200 GeV per nucleon. The methods used are Multifractal Detrended Cross-Correlation Analysis (MF-DXA) and a chaos-based rigorous complex network method -Visibility Graph. The analysis reveals that the highest degree of cross-correlation between pseudorapidity and azimuthal angles exists in the most central region of the interaction. The analysis further shows that two-dimensional void distribution corresponding to the η-φ space reveals a strong scaling behaviour. Both cross-correlation coefficients of MF-DXA and PSVG (Power of the Scale-freeness in Visibility Graph, which is implicitly connected with the Hurst exponent) can be effectively used for the quantitative assessment of pion fluctuation in a very precise manner and have the capability to assess the tendency of approaching criticality for phase transitions. (orig.)

  13. Chemical mass balance modeling for air quality analysis near a waste-to-energy facility in a complex urban area: Program design

    International Nuclear Information System (INIS)

    Wells, R.; Watson, J.

    1997-01-01

    This paper describes the design and implementation of an ambient monitoring and receptor modeling study to evaluate air quality impacts from a state-of-the-art municipal waste management facility in a major urban area. The Robbins Resource Recovery Facility (RRRF), located in the Chicago metropolitan area, processes municipal solid waste (MSW) to recover recyclables, process the residual waste to create refuse-derived fuel (RDF), and burns the RDF to reduce the residual waste volume and recover energy. The RRRF is cooperating with the Illinois Environmental Protection Agency (IEPA) and the Illinois Office of the Attorney General (OAG) to analyze air quality and facility impacts in the plant vicinity. An ambient monitoring program began one year before plant operation and will continue for five years after startup. Because the impacts of the RRRF are projected to be very low, and because the Chicago area includes a complex mix of existing industrial, commercial, and residential activity, the ambient data will be analyzed using Version 7.0 of the USEPA s Chemical Mass Balance (CMB) model to estimate the extent of the RRRF's impact on air quality in the area. The first year of pre-operational ambient data is currently under analysis. This paper describes the study design considerations, ambient monitoring program, emission data acquisition, background source data needs, and data analysis procedures developed to conduct CMB modeling in a complex industrialized area

  14. Central Asia’s Ili River Ecosystem as a Wicked Problem: Unraveling Complex Interrelationships at the Interface of Water, Energy, and Food

    Directory of Open Access Journals (Sweden)

    Steven G. Pueppke

    2018-04-01

    Full Text Available The Ili River originates in the mountains of Xinjiang, China, and flows across an increasingly arid landscape before terminating in Kazakhstan’s Lake Balkhash, which has no outlet to the ocean. The river has been extensively impounded and diverted over the past half century to produce hydroelectric power and food on irrigated land. Water withdrawals are increasing to the extent that they are beginning to threaten the ecosystem, just as it is becoming stressed by altered inflows as glaciers retreat and disappear. If the Ili River ecosystem is to be preserved, it is crucial that we thoroughly understand the spatial and temporal nuances of the interrelationships between water, energy, and food—and the vulnerability of these components to climate change. The ecosystem has all of the characteristics of a classically-defined “wicked problem”, and so it warrants treatment as a complex and dynamic challenge subject to changing assumptions, unexpected consequences, and strong social and economic overtones. Research should thus focus not just on new knowledge about the water, energy, or food component, but on advancing our understanding of the ecosystem as a whole. This will require the participation of interdisciplinary teams of researchers with both tacit and specialized knowledge.

  15. Complex fragment emission in the reaction 197Au → 197Au at an incident energy of 15 MeV/u

    International Nuclear Information System (INIS)

    Schmoll, R.

    1988-07-01

    For the study of the dominant decay processes in the reaction 15 MeV/u 197 Au → 197 Au in one-particle inclusive experiments the emission characteristics of all ejectiles in the mass range 24 ≤ A ≤ 197 were studied. The deflection function of the projectile-like fragments is for all energy losses at the grazing angle Θ cm gr =27.5 degrees peaked and in fact even for scattering events in which the whole available kinetic energy was dissipated in the collisions. The systematic analysis of the velocity spectra shows that the lightest fragments are formed in double-sequential fission of the highly excited gold-like fragments from the first deep inelastic reaction stage before reaching of a global equilibrium. On the other side symmetrical fission products, which are part of the narrow branch of the mass distribution, are emitted in simple-sequential non-equilibrium fission. This simple-sequential breakup is very closely limited to excitation energies of 75 ≤ E * ≤ 275 MeV of the primary, gold-like fragments, while the probability for double-sequential fission above E * ≅ 200 MeV increases very strongly. Contrarily to equilibrated compound-nucleus fission these processes are characterized by a in the source system strongly anisotropic angular distribution with distinct foreward/backward asymmetry and by an extremely asymmetric mass split. The study of the mass distribution shows that non-equilibrium fission at 15 MeV/u is both in view of the reaction cross section and regarding the creation of the complex fragments is the dominant decay process. The integral cross section of the broad four-body distribution corresponds to 60% of the total reaction cross section; the integral cross section of the narrow three-body distribution corresponds to 10%. (orig./HSI) [de

  16. Early outcome of high energy Laser (Excimer) facilitated coronary angioplasty ON hARD and complex calcified and balloOn-resistant coronary lesions: LEONARDO Study

    International Nuclear Information System (INIS)

    Ambrosini, Vittorio; Sorropago, Giovanni; Laurenzano, Eugenio; Golino, Luca; Casafina, Alfredo; Schiano, Vittorio; Gabrielli, Gabriele; Ettori, Federica; Chizzola, Giuliano; Bernardi, Guglielmo; Spedicato, Leonardo; Armigliato, Pietro; Spampanato, Carmine; Furegato, Martina

    2015-01-01

    Aim: An innovative xenon–chlorine (excimer) pulsed laser catheter (ELCA X80) has been recently used for the treatment of complex coronary lesions, as calcified stenosis, chronic total occlusions and non-compliant plaques. Such complex lesions are difficult to adequately treat with balloon angioplasty and/or intracoronary stenting. The aim of this study was to examine the acute outcome of this approach on a cohort of patients with coronary lesions. Methods and Results: Eighty patients with 100 lesions were enrolled through four centers, and excimer laser coronary angioplasty was performed on 96 lesions (96%). Safety and effectiveness data were compared between patients treated with standard laser therapy and those treated with increased laser therapy. Laser success was obtained in 90 lesions (93.7%), procedural success was reached in 88 lesions (91.7%), and clinical success in was obtained in 87 lesions (90.6%). There was no perforation, major side branch occlusion, spasm, no-reflow phenomenon, dissection nor acute vessel closure. Increased laser parameters were used successfully for 49 resistant lesions without complications. Conclusions: This study suggests that laser-facilitated coronary angioplasty is a simple, safe and effective device for the management of complex coronary lesions. Furthermore, higher laser energy levels delivered by this catheter improved the device performance without increasing complications. - Highlights: • We planned this multicenter study to examine the acute outcome of an innovative xenon–chlorine (excimer) pulsed laser catheter (ELCA X80) for treatment of complex coronary lesions. • We enrolled 80 patients with 100 lesions and performed excimer laser coronary angioplasty in 96 lesions (96%). • Laser success was obtained in 90 lesions (93.7%), procedural success was reached in 88 lesions (91.7%), and clinical success was obtained in 87 lesions (90.6%). • Increased laser parameters were used successfully for 49 resistant

  17. Early outcome of high energy Laser (Excimer) facilitated coronary angioplasty ON hARD and complex calcified and balloOn-resistant coronary lesions: LEONARDO Study

    Energy Technology Data Exchange (ETDEWEB)

    Ambrosini, Vittorio; Sorropago, Giovanni; Laurenzano, Eugenio [Montevergine Clinic, Mercogliano (Italy); Golino, Luca, E-mail: lucagolino.jazz@alice.it [Montevergine Clinic, Mercogliano (Italy); Moriggia-Pelascini Hospital, Gravedona, Como (Italy); Casafina, Alfredo; Schiano, Vittorio [Montevergine Clinic, Mercogliano (Italy); Gabrielli, Gabriele [University Hospital Ospedali Riuniti, Ancona (Italy); Ettori, Federica; Chizzola, Giuliano [Spedali Civili University Hospital, Brescia (Italy); Bernardi, Guglielmo; Spedicato, Leonardo [University Hospital S. Maria Misericordia, Udine (Italy); Armigliato, Pietro [Istituto Italiano Ricerche Mediche, Verona (Italy); Spampanato, Carmine [Telethon Institute of Genetics and Medicine (TIGEM), Naples (Italy); Furegato, Martina [Istituto Italiano Ricerche Mediche, Verona (Italy)

    2015-04-15

    Aim: An innovative xenon–chlorine (excimer) pulsed laser catheter (ELCA X80) has been recently used for the treatment of complex coronary lesions, as calcified stenosis, chronic total occlusions and non-compliant plaques. Such complex lesions are difficult to adequately treat with balloon angioplasty and/or intracoronary stenting. The aim of this study was to examine the acute outcome of this approach on a cohort of patients with coronary lesions. Methods and Results: Eighty patients with 100 lesions were enrolled through four centers, and excimer laser coronary angioplasty was performed on 96 lesions (96%). Safety and effectiveness data were compared between patients treated with standard laser therapy and those treated with increased laser therapy. Laser success was obtained in 90 lesions (93.7%), procedural success was reached in 88 lesions (91.7%), and clinical success in was obtained in 87 lesions (90.6%). There was no perforation, major side branch occlusion, spasm, no-reflow phenomenon, dissection nor acute vessel closure. Increased laser parameters were used successfully for 49 resistant lesions without complications. Conclusions: This study suggests that laser-facilitated coronary angioplasty is a simple, safe and effective device for the management of complex coronary lesions. Furthermore, higher laser energy levels delivered by this catheter improved the device performance without increasing complications. - Highlights: • We planned this multicenter study to examine the acute outcome of an innovative xenon–chlorine (excimer) pulsed laser catheter (ELCA X80) for treatment of complex coronary lesions. • We enrolled 80 patients with 100 lesions and performed excimer laser coronary angioplasty in 96 lesions (96%). • Laser success was obtained in 90 lesions (93.7%), procedural success was reached in 88 lesions (91.7%), and clinical success was obtained in 87 lesions (90.6%). • Increased laser parameters were used successfully for 49 resistant

  18. Energy problems

    International Nuclear Information System (INIS)

    Hoefling, O.

    1980-01-01

    The physical and technical fundamentals of energy conversion are described in popular form. There are chapters on fossil nuclear, and renewable energy sources. The final chapter attempts to give a picture of the complex interactions in the fields of energy economy and energy policy. (UA) [de

  19. Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme–substrate complex: influenza neuraminidase inhibition

    Energy Technology Data Exchange (ETDEWEB)

    Dominiak, Paulina M., E-mail: pdomin@chem.uw.edu.pl [Department of Chemistry, State University of New York at Buffalo, NY 14260 (United States); Department of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warszawa (Poland); Volkov, Anatoliy; Dominiak, Adam P. [Department of Chemistry, State University of New York at Buffalo, NY 14260 (United States); Jarzembska, Katarzyna N. [Department of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warszawa (Poland); Coppens, Philip, E-mail: pdomin@chem.uw.edu.pl [Department of Chemistry, State University of New York at Buffalo, NY 14260 (United States)

    2009-05-01

    The electrostatic component of the enzyme/inhibitor interaction of a wide range influenza neuraminidases and inhibitors has been analyzed using transferable aspherical-atom densities from a recently compiled databank. Results are subdivided into the contributions of individual active-site residues and different functional groups of the inhibitors, and the effect of the Arg292→Lys mutation is considered. Although electrostatic interactions contribute only a part of the interaction energies between macromolecules, unlike dispersion forces they are highly directional and therefore dominate the nature of molecular packing in crystals and in biological complexes and contribute significantly to differences in inhibition strength among related enzyme inhibitors. In the reported study, a wide range of complexes of influenza neuraminidases with inhibitor molecules (sialic acid derivatives and others) have been analyzed using charge densities from a transferable aspherical-atom data bank. The strongest interactions of the residues are with the acidic group at the C2 position of the inhibitor (∼−300 kJ mol{sup −1} for —COO{sup −} in non-aromatic inhibitors, ∼−120–210 kJ mol{sup −1} for —COO{sup −} in aromatic inhibitors and ∼−450 kJ mol{sup −1} for —PO{sub 3}{sup 2−}) and with the amino and guanidine groups at C4 (∼−250 kJ mol{sup −1}). Other groups contribute less than ∼100 kJ mol{sup −1}. Residues Glu119, Asp151, Glu227, Glu276 and Arg371 show the largest variation in electrostatic energies of interaction with different groups of inhibitors, which points to their important role in the inhibitor recognition. The Arg292→Lys mutation reduces the electrostatic interactions of the enzyme with the acidic group at C2 for all inhibitors that have been studied (SIA, DAN, 4AM, ZMR, G20, G28, G39 and BCZ), but enhances the interactions with the glycerol group at C6 for inhibitors that contain it. This is in agreement with the lower level

  20. Contractor report to the Department of Energy on opportunities for integration of environmental management activities across the complex (predecisional draft). Revision 1

    International Nuclear Information System (INIS)

    1997-03-01

    The US Department of Energy (DOE) Environmental Management (EM) program faces significant technical and financial challenges in cleaning up the environmental legacy of nuclear weapons production and research and development, while facing an uncertain future in obtaining the needed funding to perform this work. Many of these requirements, including State and Federal regulations and negotiated agreements, continue to be a significant contributor to EM program costs and schedules. Historically, the sites have managed their programs focusing on their individual site's needs. While this approach maximized successes at individual sites, it has resulted in a more costly program than if more integration across the DOE system occurred. In July 1996, the DOE Assistant Secretary for EM, Al Alm, chartered a contractor led effort to perform complex-wide integration in support of the ten-year plan process to develop a suite of technically defensible, integrated alternatives to meet the EM mission. This report documents opportunities for waste and nuclear materials management integration activities in six areas: transuranic (TRU) waste, mixed low-level waste (MLLW), low-level waste (LLW), environmental restoration (ER), high-level waste (HLW), and spent nuclear fuel (SNF). The opportunities represent technically defensible solutions which reduce cost, accelerate schedules, and result in no significant increase in risk

  1. The AMPK enzyme-complex: from the regulation of cellular energy homeostasis to a possible new molecular target in the management of chronic inflammatory disorders.

    Science.gov (United States)

    Antonioli, Luca; Colucci, Rocchina; Pellegrini, Carolina; Giustarini, Giulio; Sacco, Deborah; Tirotta, Erika; Caputi, Valentina; Marsilio, Ilaria; Giron, Maria Cecilia; Németh, Zoltán H; Blandizzi, Corrado; Fornai, Matteo

    2016-01-01

    Adenosine monophosphate-activated protein kinase (AMPK), known as an enzymatic complex that regulates the energetic metabolism, is emerging as a pivotal enzyme and enzymatic pathway involved in the regulation of immune homeostatic networks. It is also involved in the molecular mechanisms underlying the pathophysiology of chronic inflammatory diseases. AMPK is expressed in several immune cell types including macrophages, lymphocytes, neutrophils and dendritic cells, and governs a broad array of cell functions, which include cytokine production, chemotaxis, cytotoxicity, apoptosis and proliferation. Based on its wide variety of immunoregulatory actions, the AMPK system has been targeted to reveal its impact on the course of immune-related diseases, such as atherosclerosis, psoriasis, joint inflammation and inflammatory bowel diseases. The identification of AMPK subunits responsible for specific anti-inflammatory actions and the understanding of the underlying molecular mechanisms will promote the generation of novel AMPK activators, endowed with improved pharmacodynamic and pharmacokinetic profiles. These new tools will aid us to utilize AMPK pathway activation in the management of acute and chronic inflammatory diseases, while minimizing potential adverse reactions related to the effects of AMPK on metabolic energy.

  2. Theoretical studies for the N2–N2O van der Waals complex: The potential energy surface, intermolecular vibrations, and rotational transition frequencies

    International Nuclear Information System (INIS)

    Zheng, Rui; Zheng, Limin; Yang, Minghui; Lu, Yunpeng

    2015-01-01

    Theoretical studies of the potential energy surface (PES) and bound states are performed for the N 2 –N 2 O van der Waals (vdW) complex. A four-dimensional intermolecular PES is constructed at the level of single and double excitation coupled-cluster method with a non-iterative perturbation treatment of triple excitations [CCSD(T)] with aug-cc-pVTZ basis set supplemented with bond functions. Two equivalent T-shaped global minima are located, in which the O atom of N 2 O monomer is near the N 2 monomer. The intermolecular fundamental vibrational states are assigned by inspecting the orientation of the nodal surface of the wavefunctions. The calculated frequency for intermolecular disrotation mode is 23.086 cm −1 , which is in good agreement with the available experimental data of 22.334 cm −1 . A negligible tunneling splitting with the value of 4.2 MHz is determined for the ground vibrational state and the tunneling splitting increases as the increment of the vibrational frequencies. Rotational levels and transition frequencies are calculated for both isotopomers 14 N 2 –N 2 O and 15 N 2 –N 2 O. The accuracy of the PES is validated by the good agreement between theoretical and experimental results for the transition frequencies and spectroscopic parameters

  3. Time-Resolved Analysis of a Highly Sensitive Förster Resonance Energy Transfer Immunoassay Using Terbium Complexes as Donors and Quantum Dots as Acceptors

    Directory of Open Access Journals (Sweden)

    Niko Hildebrandt

    2007-01-01

    Full Text Available CdSe/ZnS core/shell quantum dots (QDs are used as efficient Förster Resonance Energy Transfer (FRET acceptors in a time-resolved immunoassays with Tb complexes as donors providing a long-lived luminescence decay. A detailed decay time analysis of the FRET process is presented. QD FRET sensitization is evidenced by a more than 1000-fold increase of the QD luminescence decay time reaching ca. 0.5 milliseconds, the same value to which the Tb donor decay time is quenched due to FRET to the QD acceptors. The FRET system has an extremely large Förster radius of approx. 100 Å and more than 70% FRET efficiency with a mean donor-acceptor distance of ca. 84 Å, confirming the applied biotin-streptavidin binding system. Time-resolved measurement allows for suppression of short-lived emission due to background fluorescence and directly excited QDs. By this means a detection limit of 18 attomol QDs within the immunoassay is accomplished, an improvement of more than two orders of magnitude compared to commercial systems.

  4. Effects of the Distributions of Energy or Charge Transfer Rates on Spectral Hole Burning in Pigment-Protein Complexes at Low Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Herascu, N.; Ahmouda, S.; Picorel, R.; Seibert, M.; Jankowiak, R.; Zazubovich, V.

    2011-12-22

    Effects of the distributions of excitation energy transfer (EET) rates (homogeneous line widths) on the nonphotochemical (resonant) spectral hole burning (SHB) processes in photosynthetic chlorophyll-protein complexes (reaction center [RC] and CP43 antenna of Photosystem II from spinach) are considered. It is demonstrated that inclusion of such a distribution results in somewhat more dispersive hole burning kinetics. More importantly, however, inclusion of the EET rate distributions strongly affects the dependence of the hole width on the fractional hole depth. Different types of line width distributions have been explored, including those resulting from Foerster type EET between weakly interacting pigments as well as Gaussian ones, which may be a reasonable approximation for those resulting, for instance, from so-called extended Foerster models. For Gaussian line width distributions, it is possible to determine the parameters of both line width and tunneling parameter distributions from SHB data without a priori knowledge of any of them. Concerning more realistic asymmetric distributions, we demonstrate, using the simple example of CP43 antenna, that one can use SHB modeling to estimate electrostatic couplings between pigments and support or exclude assignment of certain pigment(s) to a particular state.

  5. Energies; Energies

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    In the framework of the National Debate on the energies in a context of a sustainable development some associations for the environment organized a debate on the nuclear interest facing the renewable energies. The first part presents the nuclear energy as a possible solution to fight against the greenhouse effect and the associated problem of the wastes management. The second part gives information on the solar energy and the possibilities of heat and electric power production. A presentation of the FEE (French wind power association) on the situation and the development of the wind power in France, is also provided. (A.L.B.)

  6. Microsolvation of the water cation in neon: Infrared spectra and potential energy surface of the H2O+-Ne open-shell ionic complex

    Science.gov (United States)

    Dopfer, Otto; Roth, Doris; Maier, John P.

    2001-04-01

    The intermolecular potential of the H2O+-Ne open-shell ionic dimer in its doublet electronic ground state has been investigated by infrared spectroscopy in the vicinity of the O-H stretch vibrations (ν1 and ν3) and ab initio calculations at the unrestricted Møller-Plesset second-order (MP2) level with a basis set of aug-cc-pVTZ quality. The rovibrational structure of the photodissociation spectrum is consistent with a proton-bound planar H-O-H-Ne structure and a Ne-H separation of R0=1.815(5) Å. The complexation-induced redshifts are Δν1=-69 cm-1 and Δν3=-6 cm-1, respectively. Tunneling splittings observed in the perpendicular component of the ν3 hybrid band of H2O+-Ne are attributed to hindered internal rotation between the two equivalent proton-bound equilibrium structures. The interpretation of the H2O+-Ne spectrum is supported by the spectrum of the monodeuterated species, for which both the proton-bound and the deuteron-bound isomers are observed (DOH+-Ne, HOD+-Ne). The equilibrium structure of the calculated potential energy surface of H2O+-Ne has a slightly translinear proton bond, which is characterized by a Ne-H separation of Re=1.77 Å, a bond angle of φe=174°, and dissociation energies of De=756 cm-1 and D0=476 cm-1. According to the calculated potential, the exchange tunneling between the two equivalent minima occurs via the planar bridged transition state with C2v symmetry and a barrier of 340 cm-1. In general, the calculated properties of H2O+-Ne show good agreement with the experimental data. Initial steps in the microsolvation of the water cation in neon are discussed by comparing the calculated and experimental properties of H2O+-Nen (n=0-2) with neon matrix isolation data (n→∞).

  7. Developing a Shuffled Complex-Self Adaptive Hybrid Evolution (SC-SAHEL) Framework for Water Resources Management and Water-Energy System Optimization

    Science.gov (United States)

    Rahnamay Naeini, M.; Sadegh, M.; AghaKouchak, A.; Hsu, K. L.; Sorooshian, S.; Yang, T.

    2017-12-01

    Meta-Heuristic optimization algorithms have gained a great deal of attention in a wide variety of fields. Simplicity and flexibility of these algorithms, along with their robustness, make them attractive tools for solving optimization problems. Different optimization methods, however, hold algorithm-specific strengths and limitations. Performance of each individual algorithm obeys the "No-Free-Lunch" theorem, which means a single algorithm cannot consistently outperform all possible optimization problems over a variety of problems. From users' perspective, it is a tedious process to compare, validate, and select the best-performing algorithm for a specific problem or a set of test cases. In this study, we introduce a new hybrid optimization framework, entitled Shuffled Complex-Self Adaptive Hybrid EvoLution (SC-SAHEL), which combines the strengths of different evolutionary algorithms (EAs) in a parallel computing scheme, and allows users to select the most suitable algorithm tailored to the problem at hand. The concept of SC-SAHEL is to execute different EAs as separate parallel search cores, and let all participating EAs to compete during the course of the search. The newly developed SC-SAHEL algorithm is designed to automatically select, the best performing algorithm for the given optimization problem. This algorithm is rigorously effective in finding the global optimum for several strenuous benchmark test functions, and computationally efficient as compared to individual EAs. We benchmark the proposed SC-SAHEL algorithm over 29 conceptual test functions, and two real-world case studies - one hydropower reservoir model and one hydrological model (SAC-SMA). Results show that the proposed framework outperforms individual EAs in an absolute majority of the test problems, and can provide competitive results to the fittest EA algorithm with more comprehensive information during the search. The proposed framework is also flexible for merging additional EAs, boundary

  8. Groundwater Protection Program Management Plan for the U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental LLC; Environmental Compliance Department Environment, Safety, and Health Division Y-12 National Security Complex

    2004-03-31

    This document presents the Groundwater Protection Program (GWPP) management plan for the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12). The Y-12 GWPP functions as the primary point-of-contact for groundwater-related issues at Y-12, provides stewardship of the extensive network of groundwater monitoring wells at Y-12, and serves as a resource for technical expertise, support, and historical data for groundwater-related activities at Y-12. These organizational functions each serve the primary programmatic purpose of the GWPP, which is to ensure that groundwater monitoring activities within areas under Y-12 administrative control provide representative data in compliance with the multiple purposes of applicable state and federal regulations, DOE orders, and the corporate policies of BWXT Y-12, L.L.C. (hereafter referenced as BWXT), the Y-12 management and operations (M&O) contractor for DOE. This GWPP management plan addresses the requirements of DOE Order 450.1 (BWXT Y12 S/RID) regarding the implementation of a site-wide approach for groundwater protection at each DOE facility. Additionally, this plan is a ''living'' document that is reviewed annually, revised and reissued every three years, and is formatted to provide for updating individual sections independent of the rest of the document. Section 2 includes a short description of the groundwater system at Y-12, the history of groundwater monitoring at Y-12 and the corresponding evolution of the GWPP, and an overview of ongoing Y-12 groundwater monitoring activities. Section 3 describes the key elements of the GWPP management strategy. Organizational roles and responsibilities of GWPP personnel are outlined in Section 4. Section 5 presents an overview of the GWPP project plans for applicable programmatic elements. Section 6 lists the reports, plans, and documents that are referenced for technical and administrative details.

  9. Cosmic Complexity

    Science.gov (United States)

    Mather, John C.

    2012-01-01

    What explains the extraordinary complexity of the observed universe, on all scales from quarks to the accelerating universe? My favorite explanation (which I certainty did not invent) ls that the fundamental laws of physics produce natural instability, energy flows, and chaos. Some call the result the Life Force, some note that the Earth is a living system itself (Gaia, a "tough bitch" according to Margulis), and some conclude that the observed complexity requires a supernatural explanation (of which we have many). But my dad was a statistician (of dairy cows) and he told me about cells and genes and evolution and chance when I was very small. So a scientist must look for me explanation of how nature's laws and statistics brought us into conscious existence. And how is that seemll"!gly Improbable events are actually happening a!1 the time? Well, the physicists have countless examples of natural instability, in which energy is released to power change from simplicity to complexity. One of the most common to see is that cooling water vapor below the freezing point produces snowflakes, no two alike, and all complex and beautiful. We see it often so we are not amazed. But physlc!sts have observed so many kinds of these changes from one structure to another (we call them phase transitions) that the Nobel Prize in 1992 could be awarded for understanding the mathematics of their common features. Now for a few examples of how the laws of nature produce the instabilities that lead to our own existence. First, the Big Bang (what an insufficient name!) apparently came from an instability, in which the "false vacuum" eventually decayed into the ordinary vacuum we have today, plus the most fundamental particles we know, the quarks and leptons. So the universe as a whole started with an instability. Then, a great expansion and cooling happened, and the loose quarks, finding themselves unstable too, bound themselves together into today's less elementary particles like protons and

  10. Virtual Solar Energy Center: A Case Study of the Use of Advanced Visualization Techniques for the Comprehension of Complex Engineering Products and Processes

    Science.gov (United States)

    Ritter, Kenneth August, III

    Industry has a continuing need to train its workforce on recent engineering developments, but many engineering products and processes are hard to explain because of limitations of size, visibility, time scale, cost, and safety. The product or process might be difficult to see because it is either very large or very small, because it is enclosed within an opaque container, or because it happens very fast or very slowly. Some engineering products and processes are also costly or unsafe to use for training purposes, and sometimes the domain expert is not physically available at the training location. All these limitations can potentially be addressed using advanced visualization techniques such as virtual reality. This dissertation describes the development of an immersive virtual reality application using the Six Sigma DMADV process to explain the main equipment and processes used in a concentrating solar power plant. The virtual solar energy center (VEC) application was initially developed and tested in a Cave Automatic Virtual Environment (CAVE) during 2013 and 2014. The software programs used for development were SolidWorks, 3ds Max Design, and Unity 3D. Current hardware and software technologies that could complement this research were analyzed. The NVIDA GRID Visual Computing Appliance (VCA) was chosen as the rendering solution for animating complex CAD models in this application. The MiddleVR software toolkit was selected as the toolkit for VR interactions and CAVE display. A non-immersive 3D version of the VEC application was tested and shown to be an effective training tool in late 2015. An immersive networked version of the VEC allows the user to receive live instruction from a trainer being projected via depth camera imagery from a remote location. Four comparative analysis studies were performed. These studies used the average normalized gain from pre-test scores to determine the effectiveness of the various training methods. With the DMADV approach

  11. Groundwater Protection Program Management Plan For The U.S. Department Of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    Elvado Environmental, LLC

    2009-09-01

    This document presents the Groundwater Protection Program (GWPP) management plan for the U.S. Department of Energy (DOE) Y-12 National Security Complex (hereafter referenced as Y-12). The Y-12 GWPP functions as the primary point-of-contact for groundwater-related issues at Y-12, provides stewardship of the extensive network of groundwater monitoring wells at Y-12, and serves as a resource for technical expertise, support, and historical data for groundwater-related activities at Y-12. These organizational functions each serve the primary programmatic purpose of the GWPP, which is to ensure that groundwater monitoring activities within areas under Y-12 administrative control provide representative data in compliance with the multiple purposes of applicable state and federal regulations, DOE orders, and the corporate policies of Babcock & Wilcox Technical Services Y-12 LLC (hereafter referenced as B&W Y-12), the Y-12 management and operations (M&O) contractor for DOE. B&W Y-12 is a new corporate name, assumed in January 2007, for the company formerly known as BWXT Y-12, L.L.C., hereafter referenced as BWXT. This GWPP management plan addresses the requirements of DOE Order 450.1A Environmental Protection Program (hereafter referenced as DOE O 450.1A), which emphasize a site-wide approach for groundwater protection at each DOE facility through implementation of groundwater surveillance monitoring. Additionally, this plan addresses the relevant and applicable GWPP elements and goals described in the DOE O 450.1A technical guidance documents issued in June 2004 (DOE 2004) and May 2005 (DOE 2005). This GWPP management plan is a 'living' document that is reviewed annually, revised and reissued every three years, and is formatted to provide for updating individual sections independent of the rest of the document. Section 2 includes a short description of the groundwater system at Y-12, the history of groundwater monitoring at Y-12 and the corresponding evolution of the GWPP

  12. Complexity explained

    CERN Document Server

    Erdi, Peter

    2008-01-01

    This book explains why complex systems research is important in understanding the structure, function and dynamics of complex natural and social phenomena. Readers will learn the basic concepts and methods of complex system research.

  13. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  14. The role of industrial-sanitary laboratory of medical aid station of Federal administration in prophylaxis of emergency situations at the plants of nuclear-energy complex and liquidation of their after-effects

    International Nuclear Information System (INIS)

    Antipin, E.B.

    1995-01-01

    On the example of several radiation accidents the author summarized the personal practical experience in organization of work in industrial-sanitary laboratories based at the nuclear energy plants of nuclear-energy complex, in respect of prophylaxis of emergency radiation situations and liquidation of their after-effects. It is pointed out that successful activity in rendering emergency medical aid in emergency situations, caused by radiation accidents, is possible only subject to close contact of science, practical medical care and sanitary service which should become a part of the uniform public health system. 4 refs

  15. Induction of Efficient Energy Dissipation in the Isolated Light-harvesting Complex of Photosystem II in the Absence of Protein Aggregation

    NARCIS (Netherlands)

    Ilioaia, C.; Johnson, M.P.; Horton, P.; Ruban, A.V.

    2008-01-01

    Under excess illumination, the Photosystem II light-harvesting antenna of higher plants has the ability to switch into an efficient photoprotective mode, allowing safe dissipation of excitation energy into heat. In this study, we show induction of the energy dissipation state, monitored by

  16. Y-12 Groundwater Protection Program Monitoring Optimization Plan for Groundwater Monitoring Wells at the U.S. Department of Energy Y-12 National Security Complex

    International Nuclear Information System (INIS)

    2006-01-01

    This document is the monitoring optimization plan for groundwater monitoring wells associated with the U.S. Department of Energy (DOE) Y-12 National Security Complex (Y-12) in Oak Ridge, Tennessee (Figure A.1). The plan describes the technical approach that will be implemented under the Y-12 Groundwater Protection Program (GWPP) to focus available resources on the monitoring wells at Y-12 that provide the most useful hydrologic and water-quality monitoring data. The technical approach is based on the GWPP status designation for each well (Section 2.0). Under this approach, wells granted ''active'' status are used by the GWPP for hydrologic monitoring and/or groundwater quality sampling (Section 3.0), whereas wells granted ''inactive'' status are not used for either purpose. The status designation also defines the frequency at which the GWPP will inspect applicable wells, the scope of these well inspections, and extent of any maintenance actions initiated by the GWPP (Section 3.0). Details regarding the ancillary activities associated with implementation of this plan (e.g., well inspection) are deferred to the referenced GWPP plans and procedures (Section 4.0). This plan applies to groundwater wells associated with Y-12 and related waste management areas and facilities located within three hydrogeologic regimes (Figure A.1): the Bear Creek Hydrogeologic Regime (Bear Creek Regime), the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime), and the Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime). The Bear Creek Regime encompasses a section of Bear Creek Valley (BCV) immediately west of Y-12. The East Fork Regime encompasses most of the Y-12 process, operations, and support facilities in BCV and, for the purposes of this plan, includes a section of Union Valley east of the DOE Oak Ridge Reservation (ORR) boundary along Scarboro Road. The Chestnut Ridge Regime encompasses a section of Chestnut Ridge directly south of Y-12 that is bound on the

  17. Y-12 Groundwater Protection Program Monitoring Optimization Plan for Groundwater Monitoring Wells at the U.S. Department of Energy Y-12 National Security Complex, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    None

    2003-09-30

    This document is the monitoring optimization plan for groundwater monitoring wells associated with the U.S. Department of Energy (DOE) Y-12 National Security Complex (Y-12) in Oak Ridge, Tennessee (Figure 1). The plan describes the technical approach that will be implemented under the Y-12 Groundwater Protection Program (GWPP) to focus available resources on the monitoring wells at Y-12 which provide the most useful hydrologic and water-quality monitoring data. The technical approach is based on the GWPP status designation for each well (Section 2.0). Under this approach, wells granted ''active'' status are used by the GWPP for hydrologic monitoring and/or groundwater sampling (Section 3.0), whereas well granted ''inactive'' status are not used for either purpose. The status designation also determines the frequency at which the GWPP will inspect applicable wells, the scope of these well inspections, and extent of any maintenance actions initiated by the GWPP (Section 4.0). Details regarding the ancillary activities associated with implementation of this plan (e.g., well inspection) are deferred to the referenced GWPP plans and procedures (Section 5.0). This plan applies to groundwater monitoring wells associated with Y-12 and related waste management facilities located within three hydrogeologic regimes (Figure 1): the Bear Creek Hydrogeologic Regime (Bear Creek Regime), the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime), and the Chestnut Ridge Hydrogeologic Regime (Chestnut Ridge Regime). The Bear Creek Regime encompasses a section of Bear Creek Valley (BCV) immediately west of Y-12. The East Fork Regime encompasses most of the Y-12 process, operations, and support facilities in BCV and, for the purposes of this plan, includes a section of Union Valley east of the DOE Oak Ridge Reservation (ORR) boundary along Scarboro Road. The Chestnut Ridge Regime is directly south of Y-12 and encompasses a section of Chestnut Ridge that is bound to the

  18. A Series of Supramolecular Complexes for Solar Energy Conversion via Water Reduction to Produce Hydrogen: An Excited State Kinetic Analysis of Ru(II,Rh(III,Ru(II Photoinitiated Electron Collectors

    Directory of Open Access Journals (Sweden)

    Shamindri M. Arachchige

    2011-12-01

    Full Text Available Mixed-metal supramolecular complexes have been designed that photochemically absorb solar light, undergo photoinitiated electron collection and reduce water to produce hydrogen fuel using low energy visible light. This manuscript describes these systems with an analysis of the photophysics of a series of six supramolecular complexes, [{(TL2Ru(dpp}2RhX2](PF65 with TL = bpy, phen or Ph2phen with X = Cl or Br. The process of light conversion to a fuel requires a system to perform a number of complicated steps including the absorption of light, the generation of charge separation on a molecular level, the reduction by one and then two electrons and the interaction with the water substrate to produce hydrogen. The manuscript explores the rate of intramolecular electron transfer, rate of quenching of the supramolecules by the DMA electron donor, rate of reduction of the complex by DMA from the 3MLCT excited state, as well as overall rate of reduction of the complex via visible light excitation. Probing a series of complexes in detail exploring the variation of rates of important reactions as a function of sub-unit modification provides insight into the role of each process in the overall efficiency of water reduction to produce hydrogen. The kinetic analysis shows that the complexes display different rates of excited state reactions that vary with TL and halide. The role of the MLCT excited state is elucidated by this kinetic study which shows that the 3MLCT state and not the 3MMCT is likely that key contributor to the photoreduction of these complexes. The kinetic analysis of the excited state dynamics and reactions of the complexes are important as this class of supramolecules behaves as photoinitiated electron collectors and photocatalysts for the reduction of water to hydrogen.

  19. Volatility of the global economy as catalyst for changes in the Russian fuel and energy complex. The thermal power complex as the basis for the development of mining regions

    Energy Technology Data Exchange (ETDEWEB)

    Krasnyansky, Georgy [Russian Organizing Commitee of the World Mining Congress, Moscow (Russian Federation)

    2012-07-01

    The post-crisis period was marked by a revival in demand for coal. At the same time, geo-economic demand is most discernable in the local zones of South-East Asia (China, Korea, Japan), India and Indonesia. According to expert estimates, coal consumption in these regions will increase, reaching 7 billion tonnes by 2030. At the same time, we are still witnessing widespread attempts to assign coal the epithet of a 'dirty' fuel, while there have been clarion calls to resist all coal projects. However, the resolution of long-term energy security issues is contingent precisely on coal. Global consumption of coal could rise to 8-10 billion tonnes by 2035. In this context, the experience of Karakan Invest is important. The company is implementing an innovation-based project for the Karakan energy coal cluster. The implementation and replication of the Karakan energy coal cluster will make it possible to refocus the production and mining structure of the sector. This will facilitate the increasing monetization of coal resources, add value and expand the product line through the processing of coal directly at the place of production.

  20. An approach for the assessment of the statistical aspects of the SEA coupling loss factors and the vibrational energy transmission in complex aircraft structures: Experimental investigation and methods benchmark

    Science.gov (United States)

    Bouhaj, M.; von Estorff, O.; Peiffer, A.

    2017-09-01

    In the application of Statistical Energy Analysis "SEA" to complex assembled structures, a purely predictive model often exhibits errors. These errors are mainly due to a lack of accurate modelling of the power transmission mechanism described through the Coupling Loss Factors (CLF). Experimental SEA (ESEA) is practically used by the automotive and aerospace industry to verify and update the model or to derive the CLFs for use in an SEA predictive model when analytical estimates cannot be made. This work is particularly motivated by the lack of procedures that allow an estimate to be made of the variance and confidence intervals of the statistical quantities when using the ESEA technique. The aim of this paper is to introduce procedures enabling a statistical description of measured power input, vibration energies and the derived SEA parameters. Particular emphasis is placed on the identification of structural CLFs of complex built-up structures comparing different methods. By adopting a Stochastic Energy Model (SEM), the ensemble average in ESEA is also addressed. For this purpose, expressions are obtained to randomly perturb the energy matrix elements and generate individual samples for the Monte Carlo (MC) technique applied to derive the ensemble averaged CLF. From results of ESEA tests conducted on an aircraft fuselage section, the SEM approach provides a better performance of estimated CLFs compared to classical matrix inversion methods. The expected range of CLF values and the synthesized energy are used as quality criteria of the matrix inversion, allowing to assess critical SEA subsystems, which might require a more refined statistical description of the excitation and the response fields. Moreover, the impact of the variance of the normalized vibration energy on uncertainty of the derived CLFs is outlined.

  1. The AMPK enzyme-complex: From the regulation of cellular energy homeostasis to a possible new molecular target in the management of chronic inflammatory disorders

    NARCIS (Netherlands)

    Antonioli, Luca; Colucci, Rocchina; Pellegrini, Carolina; Giustarini, Giulio; Sacco, Deborah; Tirotta, Erika; Caputi, Valentina; Marsilio, Ilaria; Giron, Maria Cecilia; Németh, Zoltán H; Blandizzi, Corrado; Fornai, Matteo

    2016-01-01

    Introduction: Adenosine monophosphate-activated protein kinase (AMPK), known as an enzymatic complex that regulates the energetic metabolism, is emerging as a pivotal enzyme and enzymatic pathway involved in the regulation of immune homeostatic networks. It is also involved in the molecular

  2. The movable polarized target as a basic equipment for high energy spin physics experiments at the JINR-Dubna accelerator complex

    Energy Technology Data Exchange (ETDEWEB)

    Lehar, F.; Adiasevich, B.; Androsov, V.P.; Angelov, N.; Anischenko, N.; Antonenko, V.; Ball, J.; Baryshevsky, V.G.; Bazhanov, N.A.; Belyaev, A.A.; Benda, B.; Bodyagin, V.; Borisov, N.; Borzunov, Yu.; Bradamante, F.; Bunyatova, E.; Burinov, V.; Chernykh, E.; Combet, M.; Datskov, A.; Durand, G.; Dzyubak, A.P.; Fontaine, J.M.; Get`man, V.A.; Giorgi, M.; Golovanov, L.; Grebenyuk, V.; Grosnick, D.; Gurevich, G.; Hasegawa, T.; Hill, D.; Horikawa, N.; Igo, G.; Janout, Z.; Kalinnikov, V.A.; Karnaukhov, I.M.; Kasprzyk, T.; Khachaturov, B.A.; Kirillov, A.; Kisselev, Yu.; Kousmine, E.S.; Kovalenko, A.; Kovaljov, A.I.; Ladygin, V.P.; Lazarev, A.; Leconte, P.; Lesquen, A. de; Lukhanin, A.A.; Mango, S.; Martin, A.; Matafonov, V.N.; Matyushevsky, E.; Mironov, S.; Neganov, A.B.; Neganov, B.S.; Nomofilov, A.; Perelygin, V.; Plis, Yu.; Pilipenko, Yu.; Pisarev, I.L.; Piskunov, N.; Polunin, Yu.; Popkov, Yu.P.; Propov, A.A.; Prokofiev, A.N.; Rekalo, M.P.; Rukoyatkin, P.; Sans, J.L.; Sapozhnikov, M.G.; Sharov, V.; Shilov, S.; Shishov, Yu.; Sitnik, I.M.; Sorokin, P.V.; Spinka, H.; Sporov, E.A.; Strunov, L.N.; Svetov, A.; De Swart, J.J.; Telegin, Yu.P.; Tolmashov, I.; Trentalange, S.; Tsvinev, A.; Usov, Yu.A.; Vikhrov, V.V.; Whitten, C.A.; Zaporozhets, S.; Zarubin, A.; Zhdanov, A.A.; Zolin, L. [CEA Centre d`Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France). Dept. d`Astrophysique, de Physique des Particules, de Physique Nucleaire et de l`Instrumentation Associee]|[I.V. Kurchatov Inst. of Atomic Energy, Moscow (Russian Federation)]|[Kharkov Inst. of Physics and Technology (Russian Federation)]|[Lab. of Nuclear Problems, JINR, Dubna (Russian Federation)]|[Lab. of High Energy Physics, JINR, Dubna (Russian Federation)]|[Lab. National SATURNE, CNRS, 91 - Gif-sur-Yvette (France)]|[Inst. of Physics, Belarus Academy of Sciences, Minsk (Belarus)]|[Dept. of Physics, Petersburg Nuclear Physics Inst., Gatchina (Russian Federation)

    1995-03-01

    A movable polarized proton target is planned to be installed in polarized beams of the Synchrophasotron-Nuclotron complex in order to carry out a spin physics experimental program at Dubna. The project is described and the first proposed experiments are discussed. ((orig.))

  3. The movable polarized target as a basic equipment for high energy spin physics experiments at the JINR-Dubna accelerator complex

    International Nuclear Information System (INIS)

    Lehar, F.; Adiasevich, B.; Androsov, V.P.; Angelov, N.; Anischenko, N.; Antonenko, V.; Ball, J.; Baryshevsky, V.G.; Bazhanov, N.A.; Belyaev, A.A.; Benda, B.; Bodyagin, V.; Borisov, N.; Borzunov, Yu.; Bradamante, F.; Bunyatova, E.; Burinov, V.; Chernykh, E.; Combet, M.; Datskov, A.; Durand, G.; Dzyubak, A.P.; Fontaine, J.M.; Get'man, V.A.; Giorgi, M.; Golovanov, L.; Grebenyuk, V.; Grosnick, D.; Gurevich, G.; Hasegawa, T.; Hill, D.; Horikawa, N.; Igo, G.; Janout, Z.; Kalinnikov, V.A.; Karnaukhov, I.M.; Kasprzyk, T.; Khachaturov, B.A.; Kirillov, A.; Kisselev, Yu.; Kousmine, E.S.; Kovalenko, A.; Kovaljov, A.I.; Ladygin, V.P.; Lazarev, A.; Leconte, P.; Lesquen, A. de; Lukhanin, A.A.; Mango, S.; Martin, A.; Matafonov, V.N.; Matyushevsky, E.; Mironov, S.; Neganov, A.B.; Neganov, B.S.; Nomofilov, A.; Perelygin, V.; Plis, Yu.; Pilipenko, Yu.; Pisarev, I.L.; Piskunov, N.; Polunin, Yu.; Popkov, Yu.P.; Propov, A.A.; Prokofiev, A.N.; Rekalo, M.P.; Rukoyatkin, P.; Sans, J.L.; Sapozhnikov, M.G.; Sharov, V.; Shilov, S.; Shishov, Yu.; Sitnik, I.M.; Sorokin, P.V.; Spinka, H.; Sporov, E.A.; Strunov, L.N.; Svetov, A.; De Swart, J.J.; Telegin, Yu.P.; Tolmashov, I.; Trentalange, S.; Tsvinev, A.; Usov, Yu.A.; Vikhrov, V.V.; Whitten, C.A.; Zaporozhets, S.; Zarubin, A.; Zhdanov, A.A.; Zolin, L.

    1995-01-01

    A movable polarized proton target is planned to be installed in polarized beams of the Synchrophasotron-Nuclotron complex in order to carry out a spin physics experimental program at Dubna. The project is described and the first proposed experiments are discussed. ((orig.))

  4. Energy systems

    International Nuclear Information System (INIS)

    Haefele, W.

    1974-01-01

    Up to the present the production, transmission and distribution of energy has been considered mostly as a fragmented problem; at best only subsystems have been considered. Today the scale of energy utilization is increasing rapidly, and correspondingly, the reliance of societies on energy. Such strong quantitative increases influence the qualitative nature of energy utilization in most of its aspects. Resources, reserves, reliability and environment are among the key words that may characterize the change in the nature of the energy utilization problem. Energy can no longer be considered an isolated technical and economical problem, rather it is embedded in the ecosphere and the society-technology complex. Restraints and boundary conditions have to be taken into account with the same degree of attention as in traditional technical problems, for example a steam turbine. This results in a strong degree of interweaving. Further, the purpose of providing energy becomes more visible, that is, to make survival possible in a civilized and highly populated world on a finite globe. Because of such interweaving and finiteness it is felt that energy should be considered as a system and therefore the term 'energy systems' is used. The production of energy is only one component of such a system; the handling of energy and the embedding of energy into the global and social complex in terms of ecology, economy, risks and resources are of similar importance. he systems approach to the energy problem needs more explanation. This paper is meant to give an outline of the underlying problems and it is hoped that by so doing the wide range of sometimes confusing voices about energy can be better understood. Such confusion starts already with the term 'energy crisis'. Is there an energy crisis or not? Much future work is required to tackle the problems of energy systems. This paper can only marginally help in that respect. But it is hoped that it will help understand the scope of the

  5. Energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Haefele, W [Nuclear Research Centre, Applied Systems Analysis and Reactor Physics, Karlsruhe (Germany); International Institute for Applied Systems Analysis, Laxenburg (Austria)

    1974-07-01

    Up to the present the production, transmission and distribution of energy has been considered mostly as a fragmented problem; at best only subsystems have been considered. Today the scale of energy utilization is increasing rapidly, and correspondingly, the reliance of societies on energy. Such strong quantitative increases influence the qualitative nature of energy utilization in most of its aspects. Resources, reserves, reliability and environment are among the key words that may characterize the change in the nature of the energy utilization problem. Energy can no longer be considered an isolated technical and economical problem, rather it is embedded in the ecosphere and the society-technology complex. Restraints and boundary conditions have to be taken into account with the same degree of attention as in traditional technical problems, for example a steam turbine. This results in a strong degree of interweaving. Further, the purpose of providing energy becomes more visible, that is, to make survival possible in a civilized and highly populated world on a finite globe. Because of such interweaving and finiteness it is felt that energy should be considered as a system and therefore the term 'energy systems' is used. The production of energy is only one component of such a system; the handling of energy and the embedding of energy into the global and social complex in terms of ecology, economy, risks and resources are of similar importance. he systems approach to the energy problem needs more explanation. This paper is meant to give an outline of the underlying problems and it is hoped that by so doing the wide range of sometimes confusing voices about energy can be better understood. Such confusion starts already with the term 'energy crisis'. Is there an energy crisis or not? Much future work is required to tackle the problems of energy systems. This paper can only marginally help in that respect. But it is hoped that it will help understand the scope of the

  6. (II) complexes

    African Journals Online (AJOL)

    activities of Schiff base tin (II) complexes. Neelofar1 ... Conclusion: All synthesized Schiff bases and their Tin (II) complexes showed high antimicrobial and ...... Singh HL. Synthesis and characterization of tin (II) complexes of fluorinated Schiff bases derived from amino acids. Spectrochim Acta Part A: Molec Biomolec.

  7. Communication complexity and information complexity

    Science.gov (United States)

    Pankratov, Denis

    Information complexity enables the use of information-theoretic tools in communication complexity theory. Prior to the results presented in this thesis, information complexity was mainly used for proving lower bounds and direct-sum theorems in the setting of communication complexity. We present three results that demonstrate new connections between information complexity and communication complexity. In the first contribution we thoroughly study the information complexity of the smallest nontrivial two-party function: the AND function. While computing the communication complexity of AND is trivial, computing its exact information complexity presents a major technical challenge. In overcoming this challenge, we reveal that information complexity gives rise to rich geometrical structures. Our analysis of information complexity relies on new analytic techniques and new characterizations of communication protocols. We also uncover a connection of information complexity to the theory of elliptic partial differential equations. Once we compute the exact information complexity of AND, we can compute exact communication complexity of several related functions on n-bit inputs with some additional technical work. Previous combinatorial and algebraic techniques could only prove bounds of the form theta( n). Interestingly, this level of precision is typical in the area of information theory, so our result demonstrates that this meta-property of precise bounds carries over to information complexity and in certain cases even to communication complexity. Our result does not only strengthen the lower bound on communication complexity of disjointness by making it more exact, but it also shows that information complexity provides the exact upper bound on communication complexity. In fact, this result is more general and applies to a whole class of communication problems. In the second contribution, we use self-reduction methods to prove strong lower bounds on the information

  8. Wind farm layout optimization in complex terrain with CFD wakes: Paper presented at EWEA 2015, Europe's Premier Wind Energy Event, 17 - 20 November 2015, Paris, France

    OpenAIRE

    Schmidt, J.; Stoevesandt, B.

    2015-01-01

    For a complex terrain site in Bahia, Brazil, 28 CFDRANS simulations were carried out, representing the relevant states of a wind rose with three degrees resolution. The resulting wind fields provide the background wind for the layout optimization of a wind farm with 64 wind turbines based on the AEP. The underlying wake model was deduced from CFD-RANS simulation results of an isolated actuator disk. We find that a hybrid optimization algorithm that combines genetic and gradient-based optimize...

  9. Complex fluids, divided solids and their interfaces: Open scientific questions addressed at the Institute of Separation Chemistry of Marcoule for a sustainable nuclear energy

    International Nuclear Information System (INIS)

    Leroy, M.; Henge-Napoli, M.H.; Zemb, Th.

    2007-01-01

    Key issues in radiochemistry, physical chemistry of separation and chemistry of materials needed for a sustainable nuclear energy production are described. These driving questions are at the origin of the creation of the Institute of Separation Chemistry at Marcoule. Each of the domains has been described extensively in recent reports for science and technology of the French academy of Science. (authors)

  10. A comparison of ab initio quantum-mechanical and experimental D-0 binding energies of eleven H-bonded and eleven dispersion-bound complexes

    Czech Academy of Sciences Publication Activity Database

    Haldar, Susanta; Gnanasekaran, Ramachandran; Hobza, Pavel

    2015-01-01

    Roč. 17, č. 40 (2015), s. 26645-26652 ISSN 1463-9076 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : noncovalent interactions * dissociation energy * CCSD(T) Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.449, year: 2015

  11. Energy efficiency through energy audit

    International Nuclear Information System (INIS)

    Esan, A. A.

    2000-08-01

    Energy is an essential factor to economic and social development and improved standards of living in developing countries. Nigeria in particular. There is a strong need for greater energy efficiency in every sector of economy in order to reduce costs. enhance competitiveness, conserve energy resources and reduce environmental impacts associated with production, distribution and use of energy. Energy auditing and monitoring has a significant role in any energy management and conservation project. Energy auditing as an important part of industrial energy management on plant level, represents a complex of activities aiming at the efficient use of energy. The activities are undertaken by a team of experts who use a set of measuring instruments to monitor and evaluate all the necessary data to elaborate a package of recommendations on improvements in the field of energy efficiency and possible product quality. The inefficient conversion and use of energy have been identified as a central problem for all developing countries, Nigeria inclusive, since they all consume significantly higher amounts of energy per unit of GDP than OECD countries. This aggravates energy-related environmental problems and is also a burden on domestic resources and foreign exchange. Energy prices have risen drastically in many developing countries, while energy intensities remain high. Price changes alone are not rapidly translating energy efficiency improvements. Identifying and removing the obstacles to greater energy efficiency should be priority for government in developing countries. This is why the Energy Commission, an apex organ of government on Energy matters in all its ramifications is out to encourage relatively low-cost energy audits for the Textile industries - such audits can identify ''good house-keeping's' measures, such as simply process improvements, that reduce energy consumption and operating costs. This will be followed by the training of plant workers/energy managers

  12. Nuclear weapons complex

    International Nuclear Information System (INIS)

    Rezendes, V.S.

    1992-04-01

    In addition to long-standing safety and environmental problems plaguing the nuclear weapons complex, this paper reports that the Department of Energy (DOE) faces a major new challenge-how to reconfigure the weapons complex to meet the nation's defense needs in the 21st century. Key decisions still need to be made about the size of the complex; where, if necessary, to relocate various operations; what technologies to use for new tritium production; and what to do with excess weapons-grade material. The choices confronting DOE and Congress are difficult given the conflicting demands for limited resources

  13. Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

    KAUST Repository

    Sini, Gjergji; Sears, John S.; Brédas, Jean-Luc

    2011-01-01

    We have evaluated the performance of several density functional theory (DFT) functionals for the description of the ground-state electronic structure and charge transfer in donor/acceptor complexes. The tetrathiafulvalene- tetracyanoquinodimethane (TTF-TCNQ) complex has been considered as a model test case. Hybrid functionals have been chosen together with recently proposed long-range corrected functionals (ωB97X, ωB97X-D, LRC-ωPBEh, and LC-ωPBE) in order to assess the sensitivity of the results to the treatment and magnitude of exact exchange. The results show an approximately linear dependence of the ground-state charge transfer with the HOMO TTF-LUMOTCNQ energy gap, which in turn depends linearly on the percentage of exact exchange in the functional. The reliability of ground-state charge transfer values calculated in the framework of a monodeterminantal DFT approach was also examined. © 2011 American Chemical Society.

  14. Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

    KAUST Repository

    Sini, Gjergji

    2011-03-08

    We have evaluated the performance of several density functional theory (DFT) functionals for the description of the ground-state electronic structure and charge transfer in donor/acceptor complexes. The tetrathiafulvalene- tetracyanoquinodimethane (TTF-TCNQ) complex has been considered as a model test case. Hybrid functionals have been chosen together with recently proposed long-range corrected functionals (ωB97X, ωB97X-D, LRC-ωPBEh, and LC-ωPBE) in order to assess the sensitivity of the results to the treatment and magnitude of exact exchange. The results show an approximately linear dependence of the ground-state charge transfer with the HOMO TTF-LUMOTCNQ energy gap, which in turn depends linearly on the percentage of exact exchange in the functional. The reliability of ground-state charge transfer values calculated in the framework of a monodeterminantal DFT approach was also examined. © 2011 American Chemical Society.

  15. Improvement of aerobic energy supply processes in 37-49 yrs old women by means of complex aqua-fitness trainings’ and methodic of endogenous - hypoxic breathing’s application

    Directory of Open Access Journals (Sweden)

    Y.M. Furman

    2015-07-01

    Full Text Available Purpose: substantiation of purposefulness of complex aqua-fitness training and methodic of endogenous-hypoxic breathing’s application for improvement of women’s functional fitness. Material: in the research 13 women of control group and 12 women of experimental one, who had never trained aqua-fitness earlier, participated. (Their age was 37-49 years old. Results: during 24 weeks, at different stages of the research (after 8, 16 and 24 weeks from the beginning of trainings by the worked out program we determined indicators of power (maximal oxygen consumption and capacity (threshold of anaerobic metabolism, which characterize aerobic processes of energy supply. Conclusions: it was proved that complex application of aqua-fitness trainings in combination with methodic of endogenous-hypoxic breathing is effective. It is witnessed by acceleration of increment of absolute and relative indicators of workability, maximal oxygen consumption and threshold of anaerobic metabolism.

  16. Fiscal 1999 report on basic research for promotion of joint implementation programs. Basic research on energy status of Anshan Iron and Steel Group Complex; 1999 nendo Anshan koretsu (shudan) koji energy kihon chosa hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-03-01

    The above-named group of manufacturers underwent a survey for its energy status, pursuant to the COP3 (Third Session of the Conference of the Parties to the United Nations Framework Convention on Climate Change) protocol. The manufacturing facilities are smaller than those of Japanese manufacturers and are obsolete in this group of manufacturers which is the second largest iron and steel manufacturing group in China. Although some of the manufacturers operate sintering exhaust heat recovery facilities at their own expenses, the level of heat recovery is far lower than that in Japan. In a feasibility study which was based on data acquired at the site, studies were conducted about ignition burner facility modification and exhaust heat recovery in the sintering process and about top pressure equalizing gas recovery and top pressure recovery turbine power generation in the blast furnace process. Among them, sintering ignition burner modification is high in investment efficiency. As for sintering exhaust heat recovery and top pressure equalizing gas recovery, they are low in investment efficiency and are difficult to hold in the present China where coal exists aplenty and the energy unit is low in price. Since China knows no sudden rise in energy price as Japan did during the oil crises, no enthusiasm is seen in investment in energy saving efforts. Investment for energy saving in production process modification as represented by continuous casting facilities is being made, however, because such has its own various merits which this survey does not deal with. (NEDO)

  17. The problems associated with the monitoring of complex workplace radiation fields at European high-energy accelerators and thermonuclear fusion facilities

    Czech Academy of Sciences Publication Activity Database

    Bilski, P.; Blomgren, J.; d´Errico, F.; Esposito, A.; Fehrenbacher, G.; Fernández, F.; Fuchs, A.; Golnik, N.; Lacoste, V.; Leuschner, A.; Sandri, S.; Silari, M.; Spurný, František; Wiegel, B.; Wright, P.

    2007-01-01

    Roč. 126, 1-4 (2007), s. 491-496 ISSN 0144-8420 R&D Projects: GA MŠk 1P05OC032 Grant - others:ES(XE) Contract no FI6R-012684 Institutional research plan: CEZ:AV0Z10480505 Keywords : radiation fields * european high-energy accelerators * thermonuclear fusion facilities Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.528, year: 2007

  18. Distortions of the Xanthophylls Caused by Interactions with Neighboring Pigments and the LHCII Protein Are Crucial for Studying Energy Transfer Pathways within the Complex.

    Science.gov (United States)

    Fox, K F; Bricker, William P; Lo, Cynthia; Duffy, C D P

    2015-12-24

    It has been proposed that photoprotective non-photochemical quenching (NPQ) in higher plants arises from a conformational change in the antenna which alters pigment-pigment interactions. This brings about the formation of energy quenching "traps" that capture and dissipate excitation energy as heat. We have used the semiempirical AM1-CAS-CI method combined with the transition density cube (TDC) approach to model chlorophyll (Chl) to xanthophyll (Xanth) resonant Coulomb couplings in the crystal structure of LHCII. Due to its proposed role as the NPQ quenching site we have focused on lutein interactions and have explored how distortions to lutein conformation, as well as interpigment distances and relative orientations, affect this coupling. Our calculations indicate that distortions as well as Chl-lutein angle have a significant effect on coupling, whereas interpigment distances have a relatively minor effect. We therefore conclude that particular attention to the distortions of the Xanths should be given for calculation of energy transfer pathways and study of the NPQ mechanism.

  19. Time resolved studies of dual emission and photoinduced energy transfer in a Tris methoxy coumarin derivative of a cryptand and its complex with Tb(NO{sub 3}){sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Samanta, Subhodip [Department of Chemistry, Presidency College, Kolkata 700 073 (India); Roy, Maitrayee Basu [Department of Chemistry, Presidency College, Kolkata 700 073 (India); Ghosh, Sanjib [Department of Chemistry, Presidency College, Kolkata 700 073 (India)], E-mail: sanjibg@cal2.vsnl.net.in

    2006-09-29

    The paper reports time resolved emission studies in different solvents of the dual emission observed in the macrotricyclic cryptand (L) where the three secondary amino nitrogen have been derivatized with methoxy coumarin at room temperature and at 77K. The emission from the 'locally excited monomer state' has a lifetime less than 1ns while the other emitting state is an exciplex state with a lifetime of 4-5ns depending on the solvent. The lifetime is found to increase significantly in the presence of protons and at 77K exhibiting photoinduced electron transfer (PET) in the system L. The system exhibits photoinduced energy transfer (ET) in its Tb(III) complex using NO{sub 3}{sup -} ion as counteranion at room temperature as well as at 77K. The rate constants for energy transfer from coumarin moiety to Tb(III) have been evaluated at room temperature and at 77K following the decay of {sup 5}D{sub 4}->{sup 7}F{sub 5} emission of Tb(III). The results indicate that energy transfer takes place from the lowest triplet state of coumarin moiety to Tb(III) by exchange mechanism. The energy transfer (ET) rate constants at room temperature and at 77K have been evaluated and interpreted using the geometry of L obtained by theoretical calculation.

  20. Computational study of An-X bonding (An = Th, U; X = p-block-based ligands) in pyrrolic macrocycle-supported complexes from the quantum theory of atoms in molecules and bond energy decomposition analysis.

    Science.gov (United States)

    O'Brien, Kieran T P; Kaltsoyannis, Nikolas

    2017-01-17

    A systematic computational study of organoactinide complexes of the form [LAnX] n+ has been carried out using density functional theory, the quantum theory of atoms in molecules (QTAIM) and Ziegler-Rauk energy decomposition analysis (EDA) methods. The systems studied feature L = trans-calix[2]benzene[2]pyrrolide, An = Th(iv), Th(iii), U(iii) and X = BH 4 , BO 2 C 2 H 4 , Me, N(SiH 3 ) 2 , OPh, CH 3 , NH 2 , OH, F, SiH 3 , PH 2 , SH, Cl, CH 2 Ph, NHPh, OPh, SiH 2 Ph, PHPh 2 , SPh, CPh 3 , NPh 2 , OPh, SiPh 3 PPh 2 , SPh. The PBE0 hybrid functional proved most suitable for geometry optimisations based on comparisons with available experimental data. An-X bond critical point electron densities, energy densities and An-X delocalisation indices, calculated with the PBE functional at the PBE0 geometries, are correlated with An-X bond energies, enthalpies and with the terms in the EDA. Good correlations are found between energies and QTAIM metrics, particularly for the orbital interaction term, provided the X ligand is part of an isoelectronic series and the number of open shell electrons is low (i.e. for the present Th(iv) and Th(iii) systems).

  1. Environmental and Economic Performance of Commercial-scale Solar Photovoltaic Systems: A Field Study of Complex Energy Systems at the Desert Research Institute (DRI)

    Science.gov (United States)

    Liu, X.

    2014-12-01

    Solar photovoltaic (PV) systems are being aggressively deployed at residential, commercial, and utility scales to complement power generation from conventional sources. This is motivated both by the desire to reduce carbon footprints and by policy-driven financial incentives. Although several life cycle analyses (LCA) have investigated environmental impacts and energy payback times of solar PV systems, most results are based on hypothetical systems rather than actual, deployed systems that can provide measured performance data. Over the past five years, Desert Research Institute (DRI) in Nevada has installed eight solar PV systems of scales from 3 to 1000 kW, the sum of which supply approximately 40% of the total power use at DRI's Reno and Las Vegas campuses. The goal of this work is to explore greenhouse gas (GHG) impacts and examine the economic performance of DRI's PV systems by developing and applying a comprehensive LCA and techno-economic (TEA) model. This model is built using data appropriate for each type of panel used in the DRI systems. Power output is modeled using the National Renewable Energy Laboratory (NREL) model PVWatts. The performance of PVWatts is verified by the actual measurements from DRI's PV systems. Several environmental and economic metrics are quantified for the DRI systems, including life cycle GHG emissions and energy return. GHG results are compared with Nevada grid-based electricity. Initial results indicate that DRI's solar-derived electricity offers clear GHG benefits compared to conventional grid electricity. DRI's eight systems have GHG intensity values of 29-56 gCO2e/kWh, as compared to the GHG intensity of 212 gCO2e/kWh of national average grid power. The major source of impacts (82-92% of the total) is the upstream life cycle burden of manufacturing PV panels, which are made of either mono-crystalline or multi-crystalline silicon. Given the same type of PV panel, GHG intensity decreases as the scale of the system increases

  2. Complexity Theory

    Science.gov (United States)

    Lee, William H K.

    2016-01-01

    A complex system consists of many interacting parts, generates new collective behavior through self organization, and adaptively evolves through time. Many theories have been developed to study complex systems, including chaos, fractals, cellular automata, self organization, stochastic processes, turbulence, and genetic algorithms.

  3. (VI) ML6 Complexes

    African Journals Online (AJOL)

    A geometric analysis revealed that beta-(C-H) and alpha-(C-C) can occupy the seventh and eighth coordination sites in the title Fischer carbene complexes as agostic interactions, which allows classifying the carbene as a η3 ligand in these cases. This theory was supported by the relative energies of the conformers and an ...

  4. The CERN accelerator complex

    CERN Multimedia

    Mobs, Esma Anais

    2016-01-01

    The LHC is the last ring (dark blue line) in a complex chain of particle accelerators. The smaller machines are used in a chain to help boost the particles to their final energies and provide beams to a whole set of smaller experiments, which also aim to uncover the mysteries of the Universe.

  5. The CERN accelerator complex

    CERN Multimedia

    Christiane Lefèvre

    2008-01-01

    The LHC is the last ring (dark grey line) in a complex chain of particle accelerators. The smaller machines are used in a chain to help boost the particles to their final energies and provide beams to a whole set of smaller experiments, which also aim to uncover the mysteries of the Universe.

  6. Complexity driven photonics

    KAUST Repository

    Fratalocchi, Andrea

    2014-01-01

    Disorder and chaos are ubiquitous phenomena that are mostly unwanted in applications. On the contrary, they can be exploited to create a new technology. In this talk I will summarize my research in this field, discussing chaotic energy harvesting, nonlinear stochastic resonance and complex nanolasers.

  7. Complexity driven photonics

    KAUST Repository

    Fratalocchi, Andrea

    2014-12-01

    Disorder and chaos are ubiquitous phenomena that are mostly unwanted in applications. On the contrary, they can be exploited to create a new technology. In this talk I will summarize my research in this field, discussing chaotic energy harvesting, nonlinear stochastic resonance and complex nanolasers.

  8. The CERN accelerator complex

    CERN Multimedia

    Haffner, Julie

    2013-01-01

    The LHC is the last ring (dark grey line) in a complex chain of particle accelerators. The smaller machines are used in a chain to help boost the particles to their final energies and provide beams to a whole set of smaller experiments, which also aim to uncover the mysteries of the Universe.

  9. Method for customizing an organic Rankine cycle to a complex heat source for efficient energy conversion, demonstrated on a Fischer Tropsch plant

    International Nuclear Information System (INIS)

    DiGenova, Kevin J.; Botros, Barbara B.; Brisson, J.G.

    2013-01-01

    Highlights: ► Methods for customizing organic Rankine cycles are proposed. ► A set of cycle modifications help to target available heat sources. ► Heat sources with complex temperature–enthalpy profiles can be matched. ► Significant efficiency improvements can be achieved over basic ORC’s. -- Abstract: Organic Rankine cycles (ORCs) provide an alternative to traditional steam Rankine cycles for the conversion of low grade heat sources into power, where conventional steam power cycles are known to be inefficient. A large processing plant often has multiple low temperature waste heat streams available for conversion to electricity by a low temperature cycle, resulting in a composite heat source with a complex temperature–enthalpy profile. This work presents a set of ORC design concepts: reheat stages, multiple pressure levels, and balanced recuperators; and demonstrates the use of these design concepts as building blocks to create a customized cycle that matches an available heat source. Organic fluids are modeled using a pure substance database. The pinch analysis technique of forming composite curves is applied to analyze the effect of each building block on the temperature–enthalpy profile of the ORC heat requirement. The customized cycle is demonstrated on a heat source derived from a Fischer Tropsch reactor and its associated processes. Analysis shows a steam Rankine cycle can achieve a 20.6% conversion efficiency for this heat source, whereas a simple organic Rankine cycle using hexane as the working fluid can achieve a 20.9% conversion efficiency. If the ORC building blocks are combined into a cycle targeted to match the temperature–enthalpy profile of the heat source, this customized ORC can achieve 28.5% conversion efficiency.

  10. Elimination of polarity in the carotenoid terminus promotes the exposure of B850-binding sites (Tyr 44, 45) and ANS-mediated energy transfer in LH2 complexes of Rhodobacter sphaeroides.

    Science.gov (United States)

    Liu, Yuan; Wu, Yongqiang; Xu, Chunhe

    2004-12-10

    Carotenoids in the peripheral light-harvesting complexes (LH2) of the green mutant (GM309) of Rhodobacter sphaeroides were identified as containing neurosporenes, which lack the polar CH(3)O group, compared to spheroidenes in native-LH2 of R. sphaeroides 601. After LH2 complexes were treated with 1-anilino-8-naphthalene sulfonate (ANS), new energy transfer pathways from ANS or tryptophan to carotenoids were discovered in both native- and GM309-LH2. The carotenoid fluorescence intensity of GM309-LH2 was greater than that of native-LH2 when bound with ANS, suggesting that the elimination of polarity in the neurosporene increases the energy transfer from ANS to carotenoid. The fact that two alpha-tyrosines (alpha-Tyr 44, 45, B850-binding sites) in each alpha-apoprotein of GM309-LH2 were more easily modified than those of native-LH2 by N-acetylimidazole (NAI) indicates that the elimination of polarity in the neurosporene terminus increases the exposure of these sites to solution.

  11. Evaluation of intensity and energy interaction parameters for the complexation of Pr(III) with selected nucleoside and nucleotide through absorption spectral studies

    Science.gov (United States)

    Bendangsenla, N.; Moaienla, T.; David Singh, Th.; Sumitra, Ch.; Rajmuhon Singh, N.; Indira Devi, M.

    2013-02-01

    The interactions of Pr(III) with nucleosides and nucleotides have been studied in different organic solvents employing absorption difference and comparative absorption spectrophotometry. The magnitudes of the variations in both energy and intensity interaction parameters were used to explore the degree of outer and inner sphere co-ordination, incidence of covalency and the extent of metal 4f-orbital involvement in chemical bonding. Various electronic spectral parameters like Slater-Condon (Fk), Racah (Ek), Lande parameter (ξ4f), Nephelauxatic ratio (β), bonding (b1/2), percentage covalency (δ) and intensity parameters like oscillator strength (P) and Judd Ofelt electronic dipole intensity parameter (Tλ, λ = 2, 4, 6) have been evaluated. The variation of these evaluated parameters were employed to interpret the nature of binding of Pr(III) with different ligands i.e. Adenosine/ATP in presence and absence of Ca2+.

  12. Lipid, fatty acid and energy density profiles of white sharks: insights into the feeding ecology and ecophysiology of a complex top predator.

    Directory of Open Access Journals (Sweden)

    Heidi R Pethybridge

    Full Text Available Lipids are major sources of metabolic energy in sharks and are closely linked to environmental conditions and biological cycles, such as those related to diet, reproduction and migration. In this study, we report for the first time, the total lipid content, lipid class composition and fatty acid profiles of muscle and liver tissue of white sharks, Carcharodon carcharias, of various lengths (1.5-3.9 m, sampled at two geographically separate areas off southern and eastern Australia. Muscle tissue was low in total lipid content (90% of total lipid and polyunsaturated fatty acids (34±12% of total fatty acids. In contrast, liver was high in total lipid which varied between 51-81% wm and was dominated by triacylglycerols (>93% and monounsaturated fatty acids (36±12%. With knowledge of total lipid and dry tissue mass, we estimated the energy density of muscle (18.4±0.1 kJ g-1 dm and liver (34.1±3.2 kJ g-1 dm, demonstrating that white sharks have very high energetic requirements. High among-individual variation in these biochemical parameters and related trophic markers were observed, but were not related to any one biological or environmental factor. Signature fatty acid profiles suggest that white sharks over the size range examined are generalist predators with fish, elasmobranchs and mammalian blubber all contributing to the diet. The ecological applications and physiological influences of lipids in white sharks are discussed along with recommendations for future research, including the use of non-lethal sampling to examine the nutritional condition, energetics and dietary relationships among and between individuals. Such knowledge is fundamental to better understand the implications of environmental perturbations on this iconic and threatened species.

  13. Lipid, fatty acid and energy density profiles of white sharks: insights into the feeding ecology and ecophysiology of a complex top predator.

    Science.gov (United States)

    Pethybridge, Heidi R; Parrish, Christopher C; Bruce, Barry D; Young, Jock W; Nichols, Peter D

    2014-01-01

    Lipids are major sources of metabolic energy in sharks and are closely linked to environmental conditions and biological cycles, such as those related to diet, reproduction and migration. In this study, we report for the first time, the total lipid content, lipid class composition and fatty acid profiles of muscle and liver tissue of white sharks, Carcharodon carcharias, of various lengths (1.5-3.9 m), sampled at two geographically separate areas off southern and eastern Australia. Muscle tissue was low in total lipid content (90% of total lipid) and polyunsaturated fatty acids (34±12% of total fatty acids). In contrast, liver was high in total lipid which varied between 51-81% wm and was dominated by triacylglycerols (>93%) and monounsaturated fatty acids (36±12%). With knowledge of total lipid and dry tissue mass, we estimated the energy density of muscle (18.4±0.1 kJ g-1 dm) and liver (34.1±3.2 kJ g-1 dm), demonstrating that white sharks have very high energetic requirements. High among-individual variation in these biochemical parameters and related trophic markers were observed, but were not related to any one biological or environmental factor. Signature fatty acid profiles suggest that white sharks over the size range examined are generalist predators with fish, elasmobranchs and mammalian blubber all contributing to the diet. The ecological applications and physiological influences of lipids in white sharks are discussed along with recommendations for future research, including the use of non-lethal sampling to examine the nutritional condition, energetics and dietary relationships among and between individuals. Such knowledge is fundamental to better understand the implications of environmental perturbations on this iconic and threatened species.

  14. From nGy to MGy - new TL dosimetry of complex radiation at high-energy accelerators and thermonuclear fusion facilities

    International Nuclear Information System (INIS)

    Obryk, B.; Bilski, P.; Budzanowski, M.; Olko, P.

    2011-01-01

    One of the well known advantages of thermoluminescence (TL) detectors made of lithium fluoride doped with magnesium, copper and phosphorus (LiF:Mg,Cu,P) is their very high sensitivity to ionizing radiation. LiF:Mg,Cu,P detectors enable measurements of radiation doses from tens of nano grays up to a few kilo grays, when the total saturation of the signal of the so-called main dosimetric peak (at about 220 C. degrees) occurs. In 2006 for the first time we observed unprecedented high-temperature emission of LiF detectors heated to temperatures up to 600 C. degrees, after exposures to radiation doses ranging from 1 kGy to 1 MGy. For quantification of the glow curve shape changes of LiF:Mg,Cu,P detectors in this range of doses and determination of the absorbed dose, the high temperature coefficient (UHTR) was defined. This newly established dosimetric method was tested in a range of radiation qualities, such as gamma radiation, electron and proton beams, thermal neutron fields and in high-energy mixed fields around the SPS and PS accelerators at CERN. A number of dosimetric sets with LiF:Mg,Cu,P detectors are currently installed around the LHC at CERN. The new method for ultra-high dose range monitoring with a single LiF:Mg,Cu,P detector, which is capable of covering at least twelve orders of magnitude of doses, can be used for dosimetry at high energy accelerators and has great potential for accident dosimetry in particular. (authors)

  15. Managing Complexity

    DEFF Research Database (Denmark)

    Maylath, Bruce; Vandepitte, Sonia; Minacori, Patricia

    2013-01-01

    and into French. The complexity of the undertaking proved to be a central element in the students' learning, as the collaboration closely resembles the complexity of international documentation workplaces of language service providers. © Association of Teachers of Technical Writing.......This article discusses the largest and most complex international learning-by-doing project to date- a project involving translation from Danish and Dutch into English and editing into American English alongside a project involving writing, usability testing, and translation from English into Dutch...

  16. Complex variables

    CERN Document Server

    Fisher, Stephen D

    1999-01-01

    The most important topics in the theory and application of complex variables receive a thorough, coherent treatment in this introductory text. Intended for undergraduates or graduate students in science, mathematics, and engineering, this volume features hundreds of solved examples, exercises, and applications designed to foster a complete understanding of complex variables as well as an appreciation of their mathematical beauty and elegance. Prerequisites are minimal; a three-semester course in calculus will suffice to prepare students for discussions of these topics: the complex plane, basic

  17. Nucleophilicities of Lewis Bases B and Electrophilicities of Lewis Acids A Determined from the Dissociation Energies of Complexes B⋯A Involving Hydrogen Bonds, Tetrel Bonds, Pnictogen Bonds, Chalcogen Bonds and Halogen Bonds

    Directory of Open Access Journals (Sweden)

    Ibon Alkorta

    2017-10-01

    Full Text Available It is shown that the dissociation energy D e for the process B⋯A = B + A for 250 complexes B⋯A composed of 11 Lewis bases B (N2, CO, HC≡CH, CH2=CH2, C3H6, PH3, H2S, HCN, H2O, H2CO and NH3 and 23 Lewis acids (HF, HCl, HBr, HC≡CH, HCN, H2O, F2, Cl2, Br2, ClF, BrCl, H3SiF, H3GeF, F2CO, CO2, N2O, NO2F, PH2F, AsH2F, SO2, SeO2, SF2, and SeF2 can be represented to good approximation by means of the equation D e = c ′ N B E A , in which N B is a numerical nucleophilicity assigned to B, E A is a numerical electrophilicity assigned to A, and c ′ is a constant, conveniently chosen to have the value 1.00 kJ mol−1 here. The 250 complexes were chosen to cover a wide range of non-covalent interaction types, namely: (1 the hydrogen bond; (2 the halogen bond; (3 the tetrel bond; (4 the pnictogen bond; and (5 the chalcogen bond. Since there is no evidence that one group of non-covalent interaction was fitted any better than the others, it appears the equation is equally valid for all the interactions considered and that the values of N B and E A so determined define properties of the individual molecules. The values of N B and E A can be used to predict the dissociation energies of a wide range of binary complexes B⋯A with reasonable accuracy.

  18. Nucleophilicities of Lewis Bases B and Electrophilicities of Lewis Acids A Determined from the Dissociation Energies of Complexes B⋯A Involving Hydrogen Bonds, Tetrel Bonds, Pnictogen Bonds, Chalcogen Bonds and Halogen Bonds.

    Science.gov (United States)

    Alkorta, Ibon; Legon, Anthony C

    2017-10-23

    It is shown that the dissociation energy D e for the process B⋯A = B + A for 250 complexes B⋯A composed of 11 Lewis bases B (N₂, CO, HC≡CH, CH₂=CH₂, C₃H₆, PH₃, H₂S, HCN, H₂O, H₂CO and NH₃) and 23 Lewis acids (HF, HCl, HBr, HC≡CH, HCN, H₂O, F₂, Cl₂, Br₂, ClF, BrCl, H₃SiF, H₃GeF, F₂CO, CO₂, N₂O, NO₂F, PH₂F, AsH₂F, SO₂, SeO₂, SF₂, and SeF₂) can be represented to good approximation by means of the equation D e = c ' N B E A , in which N B is a numerical nucleophilicity assigned to B, E A is a numerical electrophilicity assigned to A, and c ' is a constant, conveniently chosen to have the value 1.00 kJ mol -1 here. The 250 complexes were chosen to cover a wide range of non-covalent interaction types, namely: (1) the hydrogen bond; (2) the halogen bond; (3) the tetrel bond; (4) the pnictogen bond; and (5) the chalcogen bond. Since there is no evidence that one group of non-covalent interaction was fitted any better than the others, it appears the equation is equally valid for all the interactions considered and that the values of N B and E A so determined define properties of the individual molecules. The values of N B and E A can be used to predict the dissociation energies of a wide range of binary complexes B⋯A with reasonable accuracy.

  19. HYGIENIC AND SANITARY-EDUCATIONAL BASICS OF THE RADIATION ANXIETY PREVENTION AMONG THE POPULATION IN THE REGIONS WITH NUCLEAR-ENERGY COMPLEX ENTERPRISES

    Directory of Open Access Journals (Sweden)

    Shevchenko O. A.

    2017-12-01

    Full Text Available Background. The development of nuclear power in the countries affected by the Chernobyl accident is accompanied by a high level of radiation anxiety among the local population. The purpose of the work is the scientific substantiation of methodological approaches to determine the level and prevalence of radiation anxiety among residents of regions with enterprises of the nuclear power complex, and the development of a system of measures for their prevention. Material and methods. The features of the subjective assessment of the health and psychological status of residents of the cities of Kirovograd, ZholtyeVody (n = 387 and Volnogorsk (control group, n = 208 were studied. An original method was developed to determine the level of radiation anxiety by qualitative characteristics. Results. A low level of radiation anxiety was found in 52.5% of respondents, an average – in 27.6%, a high level – in 3.9%, it directly correlated with self-esteem of the state of health (rs = 0.134; p <0.10, presence of oncological pathologies in family (rs = 0.209, p <0.001 and the respondent's conviction that there is a direct relationship between cancer and radiation (rs = 0.302, p <0.001. Conclusions. The developed method makes it possible to determine the respondents' attitude to the problem of the effect of ionizing radiation on the health status and group people according to the level of anxiety for further planning of health improvement measures.

  20. How the nucleus and mitochondria communicate in energy production during stress: nuclear MtATP6, an early-stress responsive gene, regulates the mitochondrial F₁F₀-ATP synthase complex.

    Science.gov (United States)

    Moghadam, Ali Asghar; Ebrahimie, Eemaeil; Taghavi, Seyed Mohsen; Niazi, Ali; Babgohari, Mahbobeh Zamani; Deihimi, Tahereh; Djavaheri, Mohammad; Ramezani, Amin

    2013-07-01

    A small number of stress-responsive genes, such as those of the mitochondrial F1F0-ATP synthase complex, are encoded by both the nucleus and mitochondria. The regulatory mechanism of these joint products is mysterious. The expression of 6-kDa subunit (MtATP6), a relatively uncharacterized nucleus-encoded subunit of F0 part, was measured during salinity stress in salt-tolerant and salt-sensitive cultivated wheat genotypes, as well as in the wild wheat genotypes, Triticum and Aegilops using qRT-PCR. The MtATP6 expression was suddenly induced 3 h after NaCl treatment in all genotypes, indicating an early inducible stress-responsive behavior. Promoter analysis showed that the MtATP6 promoter includes cis-acting elements such as ABRE, MYC, MYB, GTLs, and W-boxes, suggesting a role for this gene in abscisic acid-mediated signaling, energy metabolism, and stress response. It seems that 6-kDa subunit, as an early response gene and nuclear regulatory factor, translocates to mitochondria and completes the F1F0-ATP synthase complex to enhance ATP production and maintain ion homeostasis under stress conditions. These communications between nucleus and mitochondria are required for inducing mitochondrial responses to stress pathways. Dual targeting of 6-kDa subunit may comprise as a mean of inter-organelle communication and save energy for the cell. Interestingly, MtATP6 showed higher and longer expression in the salt-tolerant wheat and the wild genotypes compared to the salt-sensitive genotype. Apparently, salt-sensitive genotypes have lower ATP production efficiency and weaker energy management than wild genotypes; a stress tolerance mechanism that has not been transferred to cultivated genotypes.

  1. Softball Complex

    Science.gov (United States)

    Ellis, Jim

    1977-01-01

    The Parks and Recreation Department of Montgomery, Alabama, has developed a five-field softball complex as part of a growing community park with facilities for camping, golf, aquatics, tennis, and picnicking. (MJB)

  2. Lecithin Complex

    African Journals Online (AJOL)

    1Department of Food Science and Engineering, Xinyang College of Agriculture and ... Results: The UV and IR spectra of the complex showed an additive effect of polydatin-lecithin, in which .... Monochromatic Cu Ka radiation (wavelength =.

  3. Metabolite profiles reveal energy failure and impaired beta-oxidation in liver of mice with complex III deficiency due to a BCS1L mutation.

    Directory of Open Access Journals (Sweden)

    Heike Kotarsky

    Full Text Available BACKGROUND & AIMS: Liver is a target organ in many mitochondrial disorders, especially if the complex III assembly factor BCS1L is mutated. To reveal disease mechanism due to such mutations, we have produced a transgenic mouse model with c.232A>G mutation in Bcs1l, the causative mutation for GRACILE syndrome. The homozygous mice develop mitochondrial hepatopathy with steatosis and fibrosis after weaning. Our aim was to assess cellular mechanisms for disease onset and progression using metabolomics. METHODS: With mass spectrometry we analyzed metabolite patterns in liver samples obtained from homozygotes and littermate controls of three ages. As oxidative stress might be a mechanism for mitochondrial hepatopathy, we also assessed H(2O(2 production and expression of antioxidants. RESULTS: Homozygotes had a similar metabolic profile at 14 days of age as controls, with the exception of slightly decreased AMP. At 24 days, when hepatocytes display first histopathological signs, increases in succinate, fumarate and AMP were found associated with impaired glucose turnover and beta-oxidation. At end stage disease after 30 days, these changes were pronounced with decreased carbohydrates, high levels of acylcarnitines and amino acids, and elevated biogenic amines, especially putrescine. Signs of oxidative stress were present in end-stage disease. CONCLUSIONS: The findings suggest an early Krebs cycle defect with increases of its intermediates, which might play a role in disease onset. During disease progression, carbohydrate and fatty acid metabolism deteriorate leading to a starvation-like condition. The mouse model is valuable for further investigations on mechanisms in mitochondrial hepatopathy and for interventions.

  4. Mathematical modeling of the Stirling engine in terms of applying the composition of the power complex containing non-conventional and renewable energy

    Science.gov (United States)

    Gaponenko, A. M.; Kagramanova, A. A.

    2017-11-01

    The opportunity of application of Stirling engine with non-conventional and renewable sources of energy. The advantage of such use. The resulting expression for the thermal efficiency of the Stirling engine. It is shown that the work per cycle is proportional to the quantity of matter, and hence the pressure of the working fluid, the temperature difference and, to a lesser extent, depends on the expansion coefficient; efficiency of ideal Stirling cycle coincides with the efficiency of an ideal engine working on the Carnot cycle, which distinguishes a Stirling cycle from the cycles of Otto and Diesel underlying engine. It has been established that the four input parameters, the only parameter which can be easily changed during operation, and which effectively affects the operation of the engine is the phase difference. Dependence of work per cycle of the phase difference, called the phase characteristic, visually illustrates mode of operation of Stirling engine. The mathematical model of the cycle of Schmidt and the analysis of operation of Stirling engine in the approach of Schmidt with the aid of numerical analysis. To conduct numerical experiments designed program feature in the language MathLab. The results of numerical experiments are illustrated by graphical charts.

  5. Research report for fiscal 1998 on the basic research on the promotion of joint implementation and so forth. Energy project for Shenyang Iron and Steel Complex in Liaoning Province; 1998 nendo Liaoning sho Shenyang kotetsu soheisho shoene project chosa hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    The above complex is surveyed for the promotion of CDM (clean development mechanism) which is a flexibility measure in the Kyoto Protocol. The 4 existing 7.5-ton electric furnaces are antiquated and high in electric power consumption rate, and cause much dust pollution. A project is worked out, under which the furnace volume will be reduced to save energy and to realize environmental friendliness. The project aims to save power, reduce greenhouse gas emission, and settle environmental problems such as dust generation. The refurbishment will reduce greenhouse gas by 27,211 tons a year in the case of a 100,000 tons/year-capable plant. This means 663 tons of CO2 per 100-million yen of invested capital. As for funding, the reimbursing trade scheme is studied as a means for procuring funds from aboard for capital investment. This seems not practical, however, due to the circumstances the project finds itself under. Financial aids such as an environmental preservation related yen loan from the Japanese Government will be studied. Japan's iron and steel manufacturing industry entertains numerous environmentally friendly and energy efficient technologies earned over its long history, and many of them are found to be excellently compatible with the current circumstances in China. It is believed that an energy-efficient, environmentally friendly model to be constructed under this project will certainly gather popularity in China. (NEDO)

  6. Trapping Dynamics in Photosystem I-Light Harvesting Complex I of Higher Plants Is Governed by the Competition Between Excited State Diffusion from Low Energy States and Photochemical Charge Separation.

    Science.gov (United States)

    Molotokaite, Egle; Remelli, William; Casazza, Anna Paola; Zucchelli, Giuseppe; Polli, Dario; Cerullo, Giulio; Santabarbara, Stefano

    2017-10-26

    The dynamics of excited state equilibration and primary photochemical trapping have been investigated in the photosystem I-light harvesting complex I isolated from spinach, by the complementary time-resolved fluorescence and transient absorption approaches. The combined analysis of the experimental data indicates that the excited state decay is described by lifetimes in the ranges of 12-16 ps, 32-36 ps, and 64-77 ps, for both detection methods, whereas faster components, having lifetimes of 550-780 fs and 4.2-5.2 ps, are resolved only by transient absorption. A unified model capable of describing both the fluorescence and the absorption dynamics has been developed. From this model it appears that the majority of excited state equilibration between the bulk of the antenna pigments and the reaction center occurs in less than 2 ps, that the primary charge separated state is populated in ∼4 ps, and that the charge stabilization by electron transfer is completed in ∼70 ps. Energy equilibration dynamics associated with the long wavelength absorbing/emitting forms harbored by the PSI external antenna are also characterized by a time mean lifetime of ∼75 ps, thus overlapping with radical pair charge stabilization reactions. Even in the presence of a kinetic bottleneck for energy equilibration, the excited state dynamics are shown to be principally trap-limited. However, direct excitation of the low energy chlorophyll forms is predicted to lengthen significantly (∼2-folds) the average trapping time.

  7. Research report for fiscal 1998 on the basic research on the promotion of joint implementation and so forth. Energy project for Shenyang Iron and Steel Complex in Liaoning Province; 1998 nendo Liaoning sho Shenyang kotetsu soheisho shoene project chosa hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    The above complex is surveyed for the promotion of CDM (clean development mechanism) which is a flexibility measure in the Kyoto Protocol. The 4 existing 7.5-ton electric furnaces are antiquated and high in electric power consumption rate, and cause much dust pollution. A project is worked out, under which the furnace volume will be reduced to save energy and to realize environmental friendliness. The project aims to save power, reduce greenhouse gas emission, and settle environmental problems such as dust generation. The refurbishment will reduce greenhouse gas by 27,211 tons a year in the case of a 100,000 tons/year-capable plant. This means 663 tons of CO2 per 100-million yen of invested capital. As for funding, the reimbursing trade scheme is studied as a means for procuring funds from aboard for capital investment. This seems not practical, however, due to the circumstances the project finds itself under. Financial aids such as an environmental preservation related yen loan from the Japanese Government will be studied. Japan's iron and steel manufacturing industry entertains numerous environmentally friendly and energy efficient technologies earned over its long history, and many of them are found to be excellently compatible with the current circumstances in China. It is believed that an energy-efficient, environmentally friendly model to be constructed under this project will certainly gather popularity in China. (NEDO)

  8. Jet-Cooled Infrared Laser Spectroscopy in the Umbrella νb{2} Vibration Region of NH_3: Improving the Potential Energy Surface Model of the NH_3-Ar Van Der Waals Complex

    Science.gov (United States)

    Asselin, Pierre; Jabri, Atef; Potapov, Alexey; Loreau, Jérome; van der Avoird, Ad

    2017-06-01

    Taking advantage of our sensitive laser spectrometer coupled to a pulsed slit jet, we recorded near the νb{2} vibration a series of rovibrational transitions of the NH_3-Ar van der Waals (vdW) complex. These transitions involve in the ground vibrational state several internal rotor states corresponding to the ortho{NH_3} and para{NH_3} spin modifications of the complex. They are labeled by Σ_{a}(j,k), Σ_{s}(j,k), Π_{a}(j,k) and Π_{s}(j,k) where Σ(K=0) and Π(K=1) indicate the projection K of the total rotational angular momentum J on the vdW axis, the superscripts s and a designate a symmetric or antisymmetric NH_3 inversion wave function, and j, k quantum numbers indicate the correlation between the internal-rotor state of the complex and the j, k rotational state of the free NH_3 monomer. Five bands have been identified, only one of which was partly observed before. They include transitions starting from the Σ_{a}(j=0 or j=1) state without any internal angular momentum, consequently they can be assigned from the band contour of a linear-molecule-like K=0, ΔJ=1 transition. The energies and splittings of the rovibrational levels of the νb{2}=1←0 spectrum derived from the analysis of the Π_{s}, Σ_{s}(j=1)← Σ_{a}(j=0), k=0 bands and mostly of the Σ_{s}, Π_{s} and Σ_{a}(j=1)←Σ_{a}(j=1), k=1 bands bring relevant information about the νb{2} dependence of the NH_3-Ar interaction, the rovibrational dynamics of the NH_3-Ar complex and provide a sensitive test of a recently developed 4D potential energy surface that includes explicitly its dependence on the umbrella motion. P. Asselin, Y. Berger, T. R. Huet, R. Motiyenko, L. Margulès, R. J. Hendricks, M. R. Tarbutt, S. Tokunaga, B. Darquié, PCCP 19, 4576 (2017), G. T. Fraser, A.S. Pine and W. A. Kreiner, J. Chem. Phys. 94, 7061 (1991). J. Loreau, J. Liévin, Y. Scribano and A. van der Avoird, J. Chem. Phys. 141, 224303 (2014).

  9. Complex analysis

    CERN Document Server

    Freitag, Eberhard

    2005-01-01

    The guiding principle of this presentation of ``Classical Complex Analysis'' is to proceed as quickly as possible to the central results while using a small number of notions and concepts from other fields. Thus the prerequisites for understanding this book are minimal; only elementary facts of calculus and algebra are required. The first four chapters cover the essential core of complex analysis: - differentiation in C (including elementary facts about conformal mappings) - integration in C (including complex line integrals, Cauchy's Integral Theorem, and the Integral Formulas) - sequences and series of analytic functions, (isolated) singularities, Laurent series, calculus of residues - construction of analytic functions: the gamma function, Weierstrass' Factorization Theorem, Mittag-Leffler Partial Fraction Decomposition, and -as a particular highlight- the Riemann Mapping Theorem, which characterizes the simply connected domains in C. Further topics included are: - the theory of elliptic functions based on...

  10. Complexity Plots

    KAUST Repository

    Thiyagalingam, Jeyarajan; Walton, Simon; Duffy, Brian; Trefethen, Anne; Chen, Min

    2013-01-01

    multivariate data series of different physical qualities (e.g., time, space and energy) to be juxtaposed together conveniently and consistently. It supports multivariate visualization as well as uncertainty visualization. It enables users to focus on algorithm

  11. Subgroup complexes

    CERN Document Server

    Smith, Stephen D

    2011-01-01

    This book is intended as an overview of a research area that combines geometries for groups (such as Tits buildings and generalizations), topological aspects of simplicial complexes from p-subgroups of a group (in the spirit of Brown, Quillen, and Webb), and combinatorics of partially ordered sets. The material is intended to serve as an advanced graduate-level text and partly as a general reference on the research area. The treatment offers optional tracks for the reader interested in buildings, geometries for sporadic simple groups, and G-equivariant equivalences and homology for subgroup complexes.

  12. Complex manifolds

    CERN Document Server

    Morrow, James

    2006-01-01

    This book, a revision and organization of lectures given by Kodaira at Stanford University in 1965-66, is an excellent, well-written introduction to the study of abstract complex (analytic) manifolds-a subject that began in the late 1940's and early 1950's. It is largely self-contained, except for some standard results about elliptic partial differential equations, for which complete references are given. -D. C. Spencer, MathSciNet The book under review is the faithful reprint of the original edition of one of the most influential textbooks in modern complex analysis and geometry. The classic

  13. Acetic acid treatment in S. cerevisiae creates significant energy deficiency and nutrient starvation that is dependent on the activity of the mitochondrial transcriptional complex Hap2-3-4-5

    International Nuclear Information System (INIS)

    Kitanovic, Ana; Bonowski, Felix; Heigwer, Florian; Ruoff, Peter; Kitanovic, Igor; Ungewiss, Christin; Wölfl, Stefan

    2012-01-01

    Metabolic pathways play an indispensable role in supplying cellular systems with energy and molecular building blocks for growth, maintenance and repair and are tightly linked with lifespan and systems stability of cells. For optimal growth and survival cells rapidly adopt to environmental changes. Accumulation of acetic acid in stationary phase budding yeast cultures is considered to be a primary mechanism of chronological aging and induction of apoptosis in yeast, which has prompted us to investigate the dependence of acetic acid toxicity on extracellular conditions in a systematic manner. Using an automated computer controlled assay system, we investigated and model the dynamic interconnection of biomass yield- and growth rate-dependence on extracellular glucose concentration, pH conditions and acetic acid concentration. Our results show that toxic concentrations of acetic acid inhibit glucose consumption and reduce ethanol production. In absence of carbohydrates uptake, cells initiate synthesis of storage carbohydrates, trehalose and glycogen, and upregulate gluconeogenesis. Accumulation of trehalose and glycogen, and induction of gluconeogenesis depends on mitochondrial activity, investigated by depletion of the Hap2-3-4-5 complex. Analyzing the activity of glycolytic enzymes, glyceraldehyde-3-phosphate dehydrogenase (GAPDH), pyruvate kinase (PYK), and glucose-6-phosphate dehydrogenase (G6PDH) we found that while high acetic acid concentration increased their activity, lower acetic acids concentrations significantly inhibited these enzymes. With this study we determined growth and functional adjustment of metabolism to acetic acid accumulation in a complex range of extracellular conditions. Our results show that substantial acidification of the intracellular environment, resulting from accumulation of dissociated acetic acid in the cytosol, is required for acetic acid toxicity, which creates a state of energy deficiency and nutrient starvation.

  14. Acetic acid treatment in S. cerevisiae creates significant energy deficiency and nutrient starvation that is dependent on the activity of the mitochondrial transcriptional complex Hap2-3-4-5

    Energy Technology Data Exchange (ETDEWEB)

    Kitanovic, Ana; Bonowski, Felix; Heigwer, Florian [Institute for Pharmacy and Molecular Biotechnology, Heidelberg University, Heidelberg (Germany); Ruoff, Peter [Faculty of Science and Technology, Centre for Organelle Research, University of Stavanger, Stavanger (Norway); Kitanovic, Igor; Ungewiss, Christin; Wölfl, Stefan, E-mail: wolfl@uni-hd.de [Institute for Pharmacy and Molecular Biotechnology, Heidelberg University, Heidelberg (Germany)

    2012-09-21

    Metabolic pathways play an indispensable role in supplying cellular systems with energy and molecular building blocks for growth, maintenance and repair and are tightly linked with lifespan and systems stability of cells. For optimal growth and survival cells rapidly adopt to environmental changes. Accumulation of acetic acid in stationary phase budding yeast cultures is considered to be a primary mechanism of chronological aging and induction of apoptosis in yeast, which has prompted us to investigate the dependence of acetic acid toxicity on extracellular conditions in a systematic manner. Using an automated computer controlled assay system, we investigated and model the dynamic interconnection of biomass yield- and growth rate-dependence on extracellular glucose concentration, pH conditions and acetic acid concentration. Our results show that toxic concentrations of acetic acid inhibit glucose consumption and reduce ethanol production. In absence of carbohydrates uptake, cells initiate synthesis of storage carbohydrates, trehalose and glycogen, and upregulate gluconeogenesis. Accumulation of trehalose and glycogen, and induction of gluconeogenesis depends on mitochondrial activity, investigated by depletion of the Hap2-3-4-5 complex. Analyzing the activity of glycolytic enzymes, glyceraldehyde-3-phosphate dehydrogenase (GAPDH), pyruvate kinase (PYK), and glucose-6-phosphate dehydrogenase (G6PDH) we found that while high acetic acid concentration increased their activity, lower acetic acids concentrations significantly inhibited these enzymes. With this study we determined growth and functional adjustment of metabolism to acetic acid accumulation in a complex range of extracellular conditions. Our results show that substantial acidification of the intracellular environment, resulting from accumulation of dissociated acetic acid in the cytosol, is required for acetic acid toxicity, which creates a state of energy deficiency and nut