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

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.

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

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

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.

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.

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...

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.

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.

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...

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

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

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

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.

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.

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.

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

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

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)

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)

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

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

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...

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

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%.

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 Q_y-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 bacteriochlorophyll_a (BChl_a) 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.

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.

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.

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.

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...

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.

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.

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.

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

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...

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.

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.

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

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

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

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.

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.

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

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.

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.

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

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.

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

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.

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

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...

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

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.

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)

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.

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.

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

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

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.

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.

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 ...

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.

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

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

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

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)

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

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.)

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.

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.

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.

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 ...

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

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

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.

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).

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.

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.

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)

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.

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.

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

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.)

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

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

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.

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.

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

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.

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.

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.

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.

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.

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.

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.

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

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)

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)

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.

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+

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)

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.

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.

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.

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.

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.

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.

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.

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».

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.

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.

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.

(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

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.

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

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

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.

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.

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

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.

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.

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.

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

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

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.

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.

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.

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.

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.

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

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.

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.

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

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.

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.

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)

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.

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.

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)

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

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.

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

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.

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

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)

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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...

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.

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.

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.

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

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.

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

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)

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)

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

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.

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

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.

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

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.

On Complex Nuclei Energetics in LENR

Science.gov (United States)

Miley, George H.; Hora, Heinz

2005-03-01

Swimming Electron Layer (SEL) theory plus fission of ``complex nuclei'' were proposed earlier to explain reaction products observed in electrolysis with multi-layer thin-film metallic electrodesootnotetext1.G.H. Miley, and J.A. Patterson, J. New Energy, Vol. 1, pp.11-15, (1996).. SEL was then extended to treat gas-diffusion driven transmutation experimentsootnotetextG. H. Miley and H. Hora, ``Nuclear Reactions in Solids,'' APS DNP Mtg., East Lansing, MI, Oct (2002).. It is also consistent with measured charged-particle emission during thin-film electrolysis and x-ray emission during plasma bombardment experimentsootnotetextA. Karabut, ``X-ray emission in high-current glow discharge,'' Proc., ICCF-9, Beijing China, May (2002).. The binding energy per complex nucleon can be estimated by an energy balance combined with identification of products for each complex e.g. complexes of A 39 have ˜ 0.05 MeV/Nucleon, etc, in thin film electrolysis. Energies in gas diffusion experiments are lower due to the reduced trap site potential at the multi-atom surface. In the case of x-ray emission, complexes involve subsurface defect center traps, giving only a few keV/Nucleon, consistent with experiments^3.

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.

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

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

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).

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.

Gradation of complexity and predictability of hydrological processes

Science.gov (United States)

Sang, Yan-Fang; Singh, Vijay P.; Wen, Jun; Liu, Changming

2015-06-01

Quantification of the complexity and predictability of hydrological systems is important for evaluating the impact of climate change on hydrological processes, and for guiding water activities. In the literature, the focus seems to have been on describing the complexity of spatiotemporal distribution of hydrological variables, but little attention has been paid to the study of complexity gradation, because the degree of absolute complexity of hydrological systems cannot be objectively evaluated. Here we show that complexity and predictability of hydrological processes can be graded into three ranks (low, middle, and high). The gradation is based on the difference in the energy distribution of hydrological series and that of white noise under multitemporal scales. It reflects different energy concentration levels and contents of deterministic components of the hydrological series in the three ranks. Higher energy concentration level reflects lower complexity and higher predictability, but scattered energy distribution being similar to white noise has the highest complexity and is almost unpredictable. We conclude that the three ranks (low, middle, and high) approximately correspond to deterministic, stochastic, and random hydrological systems, respectively. The result of complexity gradation can guide hydrological observations and modeling, and identification of similarity patterns among different hydrological systems.

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.

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.

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...

Industrial energy-flow management

International Nuclear Information System (INIS)

Lampret, Marko; Bukovec, Venceslav; Paternost, Andrej; Krizman, Srecko; Lojk, Vito; Golobic, Iztok

2007-01-01

Deregulation of the energy market has created new opportunities for the development of new energy-management methods based on energy assets, risk management, energy efficiency and sustainable development. Industrial energy-flow management in pharmaceutical systems, with a responsible approach to sustainable development, is a complex task. For this reason, an energy-information centre, with over 14,000 online measured data/nodes, was implemented. This paper presents the energy-flow rate, exergy-flow rate and cost-flow rate diagrams, with emphasis on cost-flow rate per energy unit or exergy unit of complex pharmaceutical systems

Quantum coherence spectroscopy reveals complex dynamics in bacterial light-harvesting complex 2 (LH2).

Science.gov (United States)

Harel, Elad; Engel, Gregory S

2012-01-17

Light-harvesting antenna complexes transfer energy from sunlight to photosynthetic reaction centers where charge separation drives cellular metabolism. The process through which pigments transfer excitation energy involves a complex choreography of coherent and incoherent processes mediated by the surrounding protein and solvent environment. The recent discovery of coherent dynamics in photosynthetic light-harvesting antennae has motivated many theoretical models exploring effects of interference in energy transfer phenomena. In this work, we provide experimental evidence of long-lived quantum coherence between the spectrally separated B800 and B850 rings of the light-harvesting complex 2 (LH2) of purple bacteria. Spectrally resolved maps of the detuning, dephasing, and the amplitude of electronic coupling between excitons reveal that different relaxation pathways act in concert for optimal transfer efficiency. Furthermore, maps of the phase of the signal suggest that quantum mechanical interference between different energy transfer pathways may be important even at ambient temperature. Such interference at a product state has already been shown to enhance the quantum efficiency of transfer in theoretical models of closed loop systems such as LH2.

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.

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.)

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.

A Statistical Physics Characterization of the Complex Systems Dynamics: Quantifying Complexity from Spatio-Temporal Interactions

Science.gov (United States)

Koorehdavoudi, Hana; Bogdan, Paul

2016-06-01

Biological systems are frequently categorized as complex systems due to their capabilities of generating spatio-temporal structures from apparent random decisions. In spite of research on analyzing biological systems, we lack a quantifiable framework for measuring their complexity. To fill this gap, in this paper, we develop a new paradigm to study a collective group of N agents moving and interacting in a three-dimensional space. Our paradigm helps to identify the spatio-temporal states of the motion of the group and their associated transition probabilities. This framework enables the estimation of the free energy landscape corresponding to the identified states. Based on the energy landscape, we quantify missing information, emergence, self-organization and complexity for a collective motion. We show that the collective motion of the group of agents evolves to reach the most probable state with relatively lowest energy level and lowest missing information compared to other possible states. Our analysis demonstrates that the natural group of animals exhibit a higher degree of emergence, self-organization and complexity over time. Consequently, this algorithm can be integrated into new frameworks to engineer collective motions to achieve certain degrees of emergence, self-organization and complexity.

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

Polymerization of lanthanide acrylonitrile complexes.

Science.gov (United States)

el-Mossalamy, El-Sayed H; Khalil, Ahmed A

2002-01-01

The molecular complexes of some lanthanides scandium (Sc3+), yttrium (Y3+), lanthanum (La3+), gadolinium (Gd3+), cerium (Ce3+) and ytterbium (Yb3) have been studies in dimethyl formamide (DMF) spectrophtometrically equilibrium constants (K), molar extintion coefficient (epsilon), energy of transition (E) and free energy (delta G*) were calculated. The polymerization of acrylonitrile has been studied and investigated in the presence of Sc3+, Y3+, La3+, Gd3+, Ce3+, and Yb3+ ions. The IR spectra of the formed AN-M (III) Br3 polymer complexes show the absence of the C identical to N band and the presence of two new bands corresponding to NH2 and OH groups. Magnetic moment values and the thermal stabilities of homopolymer and the polymer complexes were studied by means of thermogravimetric analysis and the activation energies for degradation were calculated.

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.

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

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

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

Evaluating energy efficiency policies with energy-economy models

NARCIS (Netherlands)

Mundaca, L.; Neij, L.; Worrell, E.; McNeil, M.

2010-01-01

The growing complexities of energy systems, environmental problems, and technology markets are driving and testing most energy-economy models to their limits. To further advance bottom-up models from a multidisciplinary energy efficiency policy evaluation perspective, we review and critically

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

Improving energy efficiency in industrial energy systems an interdisciplinary perspective on barriers, energy audits, energy management, policies, and programs

CERN Document Server

Thollander, Patrik

2012-01-01

Industrial energy efficiency is one of the most important means of reducing the threat of increased global warming. Research however states that despite the existence of numerous technical energy efficiency measures, its deployment is hindered by the existence of various barriers to energy efficiency. The complexity of increasing energy efficiency in manufacturing industry calls for an interdisciplinary approach to the issue. Improving energy efficiency in industrial energy systems applies an interdisciplinary perspective in examining energy efficiency in industrial energy systems, and discuss

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)

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.

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.

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

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

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.

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)

无

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.

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.

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

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.

Energy Analytics for Development : Big Data for Energy Access, Energy Efficiency, and Renewable Energy

OpenAIRE

Energy Sector Management Assistance Program

2017-01-01

With unprecedented speed and scale, digital transformation is affecting multiple industries, including energy. A combination of technologies, and a more complex world demanding greater agility and new competences impact all aspects of the energy sector and manifest themselves in changing patterns of consumption, new ways of asset optimization, and cross-industry partnerships. 'Smart soluti...

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.

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

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....

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.

Multi Criteria Decision Making (MCDM). Complex problems made easy; Multi Criteria Decision Making (MCDM). Complexe vraagstukken behapbaar maken

Energy Technology Data Exchange (ETDEWEB)

Van Oeffelen, E.C.M.; Van Zundert, K.; Westerlaekn, A.C. [TNO, Delft (Netherlands)

2011-12-15

The existing housing stock needs to become smarter and more sustainable in its energy use. From a technical viewpoint, renovations can usually be realized successfully, but the multitude of preconditions such as phasing and the degree of inconvenience for residents often turn renovation into a complex matter. The MCDM method can be a suitable instrument in handling complex renovation issues. [Dutch] In de bestaande woningvoorraad moet slimmer en vooral duurzamer met energie worden omgegaan. Technisch gezien is een renovatie vaak goed realiseerbaar, maar vele randvoorwaarden, zoals fasering en mate van overlast voor bewoners, maken renovatievraagstukken vaak complex. De MCDM-methodiek kan een geschikt hulpmiddel zijn bij het aanpakken van complexe renovatievraagstukken.

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.

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

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

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

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

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.

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.

Complexation of carboxylate on smectite surfaces.

Science.gov (United States)

Liu, Xiandong; Lu, Xiancai; Zhang, Yingchun; Zhang, Chi; Wang, Rucheng

2017-07-19

We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces. By taking acetate as a model carboxylate, we investigate its inner-sphere complexes adsorbed on clay edges (including (010) and (110) surfaces) and in interlayer space. Simulations show that acetate forms stable monodentate complexes on edge surfaces and a bidentate complex with Ca 2+ in the interlayer region. The free energy calculations indicate that the complexation on edge surfaces is slightly more stable than in interlayer space. By integrating pK a s and desorption free energies of Al coordinated water calculated previously (X. Liu, X. Lu, E. J. Meijer, R. Wang and H. Zhou, Geochim. Cosmochim. Acta, 2012, 81, 56-68; X. Liu, J. Cheng, M. Sprik, X. Lu and R. Wang, Geochim. Cosmochim. Acta, 2014, 140, 410-417), the pH dependence of acetate complexation has been revealed. It shows that acetate forms inner-sphere complexes on (110) in a very limited mildly acidic pH range while it can complex on (010) in the whole common pH range. The results presented in this study form a physical basis for understanding the geochemical processes involving clay-organics interactions.

Widening energy access in Africa: Towards energy transition

International Nuclear Information System (INIS)

Sokona, Youba; Mulugetta, Yacob; Gujba, Haruna

2012-01-01

The discussion to widen access to modern energy services has been influential in shaping some of the discussions on energy at the international level. The practice of widening modern energy services access to the poor in Africa is complex, and exacerbated by the dual nature of the energy system across Sub-Saharan Africa where traditional and modern energy systems and practices co-exist. This presents major challenges for policy makers who have to contend with a fragmented energy system, which requires the mobilisation of an array of actors at cross-sectoral levels in order to develop effective institutions and implement innovative policy frameworks. This paper further argues that, the ‘energy access’ discussion needs to take place in the context of energy transitions, giving due consideration to the productive sector as an important vehicle for change. As the link between energy and development is context specific, each African country needs to chart its own energy transition pathway into the future, and there are ample lessons that they can draw from previous energy transitions. - Highlights: ► Lack of access to modern energy services in Africa is an impediment to socio-economic development. ► Widening modern energy services access to the poor in Africa is complex. ► A broader approach to address the ‘energy access’ discourse is required. ► Each African country needs to chart its own energy transition pathway. ► Both fossil and renewable energy systems would be needed for a transition to modern energy sources.

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

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.

Thermodynamic properties of actinide complexes

International Nuclear Information System (INIS)

Di Bernardo, P.; Tomat, G.; Bismondo, A.

1980-01-01

The present paper reports a continuation of investigations on the complexing ability of substituted polycarboxylate ligands toward the uranyl(VI) ion. The changes in free energy were computed from the stability constants determined by potentiometric measurements; the enthalpy changes were measured by direct calorimetric titrations. The acid formation constants and the complex formation constants were calculated with the aid of a CDC/CRYBER '76 computer using the programs LETAGROP VRID and MINIQUAD 75. The enthalpy changes for the proton ligand and metal ligand complex formation were calculated by the least-squares program LETAGROP KALLE. The data obtained for a relatively wide range of concentrations of the metal and hydrogen ions may be interpreted in terms of the formation of simple mononuclear, ML, and acid complexes, Msub(p)Hsub(q)Lsub(r), where p = 1; q = 1, 2; r = 1, 2. The values of free energy enthalpy, and entropy changes for the systems investigated are reported together with the logarithms of the corresponding stability constants. (author)

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...

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.

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.)

Energy demand of electricity generation

International Nuclear Information System (INIS)

Drahny, M.

1992-01-01

The complex energy balance method was applied to selected electricity generation subsystems. The hydroelectric, brown coal based, and nuclear based subsystems are defined. The complex energy balance basically consists in identifying the mainstream and side-stream energy inputs and outputs for both the individual components and the entire electricity generation subsystem considered. Relationships for the complete energy balance calculation for the i-th component of the subsystem are given, and its side-stream energy inputs and outputs are defined. (J.B.). 4 figs., 4 refs

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.

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

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

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.

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.

Anion-π aromatic neutral tweezers complexes: are they stable in polar solvents?

Science.gov (United States)

Sánchez-Lozano, Marta; Otero, Nicolás; Hermida-Ramón, Jose M; Estévez, Carlos M; Mandado, Marcos

2011-03-17

The impact of the solvent environment on the stabilization of the complexes formed by fluorine (T-F) and cyanide (T-CN) substituted tweezers with halide anions has been investigated theoretically. The study was carried out using computational methodologies based on density functional theory (DFT) and symmetry adapted perturbation theory (SAPT). Interaction energies were obtained at the M05-2X/6-31+G* level. The obtained results show a large stability of the complexes in solvents with large dielectric constant and prove the suitability of these molecular tweezers as potential hosts for anion recognition in solution. A detailed analysis of the effects of the solvent on the electron withdrawing ability of the substituents and its influence on the complex stability has been performed. In particular, the interaction energy in solution was split up into intermonomer and solvent-complex terms. In turn, the intermonomer interaction energy was partitioned into electrostatic, exchange, and polarization terms. Polar resonance structures in T-CN complexes are favored by polar solvents, giving rise to a stabilization of the intermonomer interaction, the opposite is found for T-F complexes. The solvent-complex energy increases with the polarity of the solvent in T-CN complexes, nonetheless the energy reaches a maximum and then decreases slowly in T-F complexes. An electron density analysis was also performed before and after complexation, providing an explanation to the trends followed by the interaction energies and their different components in solution.

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

Solution chemistry of lanthanide complexes

International Nuclear Information System (INIS)

Brittain, H.G.

1979-01-01

Intermolecular energy transfer from Tb 3+ to Eu 3+ , luminescence intensity measurements, potentiometric titrations, differential absorption spectroscopy, and spectroscopic titrations were all used to study the binding of lanthanide ions by serine and threonine. At low pH (3.0 to 6.0) the complexes are mononuclear and ligand is only weakly bound. In the pH interval of 6.0 to 8.5 stronger interaction takes place between the ligand and the metal (with possible coordination of the undissociated hydroxyl group), and self-association of complexes becomes important. Above pH 8.5, base hydrolysis of the complexes leads to highly associated species in solution and shortly above this pH an insoluble precipitate is formed. It was found that energy could be transferred from Tb 3+ to Eu 3+ more efficiently among complexes prepared from racemic ligands than in complexes made from resolved ligand, but this stereoselectivity was only observed at pH values greater than 6.5 and in solutions having a 1:10 ratio of metal-to-ligand. No stereoselectivity was found in solutions having 1:5 ratios, and this observation was explained by the existence of 1:2 metal-ligand complexes existing in solutions having the higher ratio of metal-to-ligand (only 1:1 complexes are then found at lower ratios of metal-to-ligand). (author)

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.

Effects of complex parameters on classical trajectories of ...

Indian Academy of Sciences (India)

2Permanent address: Department of Mathematics, University of Jaffna, Jaffna, Sri Lanka. ∗ ... is complex and k = 1 or 2) are closed and periodic only for a discrete set of parameter curves in the complex b-plane. ... are periodic for a discrete set of real energies (i.e., classical energy gets discretized or quantized by imposing ...

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

Integration of Building energy and energy supply simulations for low-energy district heating supply to energy-efficient buildings

DEFF Research Database (Denmark)

Dalla Rosa, Alessandro

2012-01-01

The future will demand implementation of C02 neutral communities, the consequences being a far more complex design of the whole energy system, since the future energy infrastructures will be dynamic and climate responsive systems. Software able to work with such level of complexity is at present...... a missing link in the development. In this paper is demonstrated how a link between a dynamic Building Simulation Programme (BSP) and a simulation program for District Heating (DH) networks can give important information during the design phase. By using a BSP it is possible to analyze the influence...... of the human behaviour regarding the building and link the results to the simulation program for DH networks. The results show that human behaviour can lead to 50% higher heating demand and 60% higher peak loads than expected according to reference values in standardized calculation of energy demand...

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

Complex Mobile Independent Power Station for Urban Areas

Science.gov (United States)

Tunik, A. A.; Tolstoy, M. Y.

2017-11-01

A new type of a complex mobile independent power station developed in the Department of Engineering Communications and Life-Support Systems of Irkutsk National Research Technical University, is presented in this article. This station contains only solar panel, wind turbine, accumulator, diesel generator and microbial fuel cell for to produce electric energy, heat pump and solar collector to generate heat energy and also wastewater treatment plant and new complex control system. The complex mobile independent power station is intended for full power supply of a different kind of consumers located even in remote areas thus reducing their dependence from centralized energy supply systems, decrease the fossil fuel consumption, improve the environment of urban areas and solve the problems of the purification of industrial and municipal wastewater.

Stability constants of scandium complexes, 1

International Nuclear Information System (INIS)

Itoh, Hisako; Itoh, Naomi; Suzuki, Yasuo

1984-01-01

The stability constants of scandium complexes with some carboxylate ligands were determined potentiometrically at 25.0 and 40.0 0 C and at an ionic strength of 0.10 with potassium nitrate as supporting electrolyte. The constants of the scandium complexes were appreciably greater than those of the corresponding lanthanoid complexes, as expected. The changes in free energy, enthalpy, and entropy for the formation of the scandium complexes were calculated from the stability constants at two temperatures. (author)

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)

Complex fragment emission from hot compound nuclei

International Nuclear Information System (INIS)

Moretto, L.G.

1986-03-01

The experimental evidence for compound nucleus emission of complex fragments at low energies is used to interpret the emission of the same fragments at higher energies. The resulting experimental picture is that of highly excited compound nuclei formed in incomplete fusion processes which decay statistically. In particular, complex fragments appear to be produced mostly through compound nucleus decay. In the appendix a geometric-kinematic theory for incomplete fusion and the associated momentum transfer is outlined. 10 refs., 19 figs

Spectroscopic characterization of the ethyl radical-water complex.

Science.gov (United States)

Lin, Chen; Finney, Brian A; Laufer, Allan H; Anglada, Josep M; Francisco, Joseph S

2016-10-14

An ab initio investigation has been employed to determine the structural and spectroscopic parameters, such as rotational constants, vibrational frequencies, vertical excitation energies, and the stability of the ethyl-water complex. The ethyl-water complex has a binding energy of 1.15 kcal⋅mol -1 . The interaction takes place between the hydrogen of water and the unpaired electron of the radical. This interaction is found to produce a red shift in the OH stretching bands of water of ca. 84 cm -1 , and a shift of all UV absorption bands to higher energies.

Fragmentation of deuteronated aromatic derivatives: The role of ion-neutral complexes

Science.gov (United States)

Harrison, Alex G.; Wang, Jian-Yao

1997-01-01

The low-energy collision-induced dissociation reactions of the MD+ ions of a number of alkyl phenyl ethers, alkylbenzenes, acetophenones and benzaldehyde have been studied as a function of collision energy to establish qualitatively the dependence of the fragmentation reactions observed on internal energy. Deuteronated alkyl phenyl ethers (ROC6H5·D+, R = C3H7, C4H9) fragment at low collision energies to form C6H5OHD+ + (R-H), the thermochemically favoured products; with increasing collision energy (and, hence, internal energy) formation of the alkyl ion R+ increases significantly in importance. Deuteronated alkylbenzenes (RC6H5, RC6H4R', R = C2H5, C3H7) similarly form the deuteronated benzene (the thermochemically favoured product) at low collision energies with formation of the alkyl ion R+ being observed at higher collision energies. The results for both systems are consistent with a fragmentation mechanism involving initial formation of an R+/aromatic ion/neutral complex. At low internal energies proton transfer occurs within this complex to form an ion/neutral complex consisting of the deuteronated aromatic and a neutral olefin; this complex fragments to the thermochemically favoured products. Since the transition state leading to these products is a "tight" transition state involving loss of rotational degrees of freedom, the proton transfer reaction is unfavourable entropically with respect to simple dissociation of the R+/aromatic complex to R+ + ArD. Consequently, these products increase in importance as the internal energy is increased. The fragmentation of deuteronated aromatic carbonyl compounds can also be rationalized by similar mechanisms involving the intermediacy of ion/neutral complexes. Deuteronated acetophenone forms only CH3CO+ at all collision energies; this is both the thermochemically and entropically favoured product. However, deuteronated p-aminoacetophenone forms deuteronated aniline, the thermochemically favoured product at low collision

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

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.

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.

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.

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

Quantum simulations of small electron-hole complexes

International Nuclear Information System (INIS)

Lee, M.A.; Kalia, R.K.; Vashishta, P.D.

1984-09-01

The Green's Function Monte Carlo method is applied to the calculation of the binding energies of electron-hole complexes in semiconductors. The quantum simulation method allows the unambiguous determination of the ground state energy and the effects of band anisotropy on the binding energy. 22 refs., 1 fig

COULCC: A continued-fraction algorithm for Coulomb functions of complex order with complex arguments

International Nuclear Information System (INIS)

Thompson, I.J.; Barnett, A.R.

1985-01-01

The routine COULCC calculates both the oscillating and the exponentially varying Coulomb wave functions, and their radial derivations, for complex eta(Sommerfeld parameter), complex energies and complex angular momenta. The functions for uncharged scattering (spherical Bessels) and cylindrical Bessel functions are special cases which are more easily solved. Two linearly independent solutions are found, in general, to the differential equation f''(x)+g(x)f(x)=0, where g(x) has x 0 , x -1 and x -2 terms, with coefficients 1, -2eta and -lambda(lambda+1), respectively. (orig.)

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.

Alpha complexes in protein structure prediction

DEFF Research Database (Denmark)

Winter, Pawel; Fonseca, Rasmus

2015-01-01

Reducing the computational effort and increasing the accuracy of potential energy functions is of utmost importance in modeling biological systems, for instance in protein structure prediction, docking or design. Evaluating interactions between nonbonded atoms is the bottleneck of such computations......-complexes from scratch for every configuration encountered during the search for the native structure would make this approach hopelessly slow. However, it is argued that kinetic a-complexes can be used to reduce the computational effort of determining the potential energy when "moving" from one configuration...... to a neighboring one. As a consequence, relatively expensive (initial) construction of an a-complex is expected to be compensated by subsequent fast kinetic updates during the search process. Computational results presented in this paper are limited. However, they suggest that the applicability of a...

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

Enumeration of RNA complexes via random matrix theory

DEFF Research Database (Denmark)

Andersen, Jørgen E; Chekhov, Leonid O.; Penner, Robert C

2013-01-01

molecules and hydrogen bonds in a given complex. The free energies of this matrix model are computed using the so-called topological recursion, which is a powerful new formalism arising from random matrix theory. These numbers of RNA complexes also have profound meaning in mathematics: they provide......In the present article, we review a derivation of the numbers of RNA complexes of an arbitrary topology. These numbers are encoded in the free energy of the Hermitian matrix model with potential V(x)=x(2)/2 - stx/(1 - tx), where s and t are respective generating parameters for the number of RNA...

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

Computations, Complexity, Experiments, and the World Outside Physics

International Nuclear Information System (INIS)

Kadanoff, L.P

2009-01-01

Computer Models in the Sciences and Social Sciences. 1. Simulation and Prediction in Complex Systems: the Good the Bad and the Awful. This lecture deals with the history of large-scale computer modeling mostly in the context of the U.S. Department of Energy's sponsorship of modeling for weapons development and innovation in energy sources. 2. Complexity: Making a Splash-Breaking a Neck - The Making of Complexity in Physical System. For ages thinkers have been asking how complexity arise. The laws of physics are very simple. How come we are so complex? This lecture tries to approach this question by asking how complexity arises in physical fluids. 3. Forrester, et. al. Social and Biological Model-Making The partial collapse of the world's economy has raised the question of whether we could improve the performance of economic and social systems by a major effort on creating understanding via large-scale computer models. (author)

Dynamics of a complex quantum magnet

International Nuclear Information System (INIS)

Landry, James W.; Coppersmith, S. N.

2003-01-01

We have computed the low energy quantum states and low frequency dynamical susceptibility of complex quantum spin systems in the limit of strong interactions, obtaining exact results for system sizes enormously larger than accessible previously. The ground state is a complex superposition of a substantial fraction of all the classical ground states, and yet the dynamical susceptibility exhibits sharp resonances reminiscent of the behavior of single spins. These results show that strongly interacting quantum systems can organize to generate coherent excitations and shed light on recent experiments demonstrating that coherent excitations are present in a disordered spin liquid. The dependence of the energy spectra on system size differs qualitatively from that of the energy spectra of random undirected bipartite graphs with similar statistics, implying that strong interactions are giving rise to these unusual spectral properties

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...

Investigation on the correlation between energy deposition and clustered DNA damage induced by low-energy electrons.

Science.gov (United States)

Liu, Wei; Tan, Zhenyu; Zhang, Liming; Champion, Christophe

2018-05-01

This study presents the correlation between energy deposition and clustered DNA damage, based on a Monte Carlo simulation of the spectrum of direct DNA damage induced by low-energy electrons including the dissociative electron attachment. Clustered DNA damage is classified as simple and complex in terms of the combination of single-strand breaks (SSBs) or double-strand breaks (DSBs) and adjacent base damage (BD). The results show that the energy depositions associated with about 90% of total clustered DNA damage are below 150 eV. The simple clustered DNA damage, which is constituted of the combination of SSBs and adjacent BD, is dominant, accounting for 90% of all clustered DNA damage, and the spectra of the energy depositions correlating with them are similar for different primary energies. One type of simple clustered DNA damage is the combination of a SSB and 1-5 BD, which is denoted as SSB + BD. The average contribution of SSB + BD to total simple clustered DNA damage reaches up to about 84% for the considered primary energies. In all forms of SSB + BD, the SSB + BD including only one base damage is dominant (above 80%). In addition, for the considered primary energies, there is no obvious difference between the average energy depositions for a fixed complexity of SSB + BD determined by the number of base damage, but average energy depositions increase with the complexity of SSB + BD. In the complex clustered DNA damage constituted by the combination of DSBs and BD around them, a relatively simple type is a DSB combining adjacent BD, marked as DSB + BD, and it is of substantial contribution (on average up to about 82%). The spectrum of DSB + BD is given mainly by the DSB in combination with different numbers of base damage, from 1 to 5. For the considered primary energies, the DSB combined with only one base damage contributes about 83% of total DSB + BD, and the average energy deposition is about 106 eV. However, the

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.

Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

Science.gov (United States)

Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

2018-04-01

The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

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)

Determining the magnitude and direction of photoinduced ligand field switching in photochromic metal-organic complexes: molybdenum-tetracarbonyl spirooxazine complexes.

Science.gov (United States)

Paquette, Michelle M; Patrick, Brian O; Frank, Natia L

2011-07-06

The ability to optically switch or tune the intrinsic properties of transition metals (e.g., redox potentials, emission/absorption energies, and spin states) with photochromic metal-ligand complexes is an important strategy for developing "smart" materials. We have described a methodology for using metal-carbonyl complexes as spectroscopic probes of ligand field changes associated with light-induced isomerization of photochromic ligands. Changes in ligand field between the ring-closed spirooxazine (SO) and ring-opened photomerocyanine (PMC) forms of photochromic azahomoadamantyl and indolyl phenanthroline-spirooxazine ligands are demonstrated through FT-IR, (13)C NMR, and computational studies of their molybdenum-tetracarbonyl complexes. The frontier molecular orbitals (MOs) of the SO and PMC forms differ considerably in both electron density distributions and energies. Of the multiple π* MOs in the SO and PMC forms of the ligands, the LUMO+1, a pseudo-b(1)-symmetry phenanthroline-based MO, mixes primarily with the Mo(CO)(4) fragment and provides the major pathway for Mo(d)→phen(π*) backbonding. The LUMO+1 is found to be 0.2-0.3 eV lower in energy in the SO form relative to the PMC form, suggesting that the SO form is a better π-acceptor. Light-induced isomerization of the photochromic ligands was therefore found to lead to changes in the energies of their frontier MOs, which in turn leads to changes in π-acceptor ability and ligand field strength. Ligand field changes associated with photoisomerizable ligands allow tuning of excited-state and ground-state energies that dictate energy/electron transfer, optical/electrical properties, and spin states of a metal center upon photoisomerization, positioning photochromic ligand-metal complexes as promising targets for smart materials.

Observability of complex ghosts and tachyons

International Nuclear Information System (INIS)

Yamamoto, Hiroshi

1976-01-01

The complex ghost introduced previously by the present author is studied from a standpoint whether its effects are observable by experiments or not. According to the theory of complex ghost the scattering cross section of two real particles shows some particular properties. It has a kind of resonance peak at a certain energy which does not conform to the Breit-Wigner formula. It has also a peak for a certain energy transfer, if there exist tachyons. The tachyon is a kind of ghost and is allowed to exist in the theory. Using these properties the complex ghosts are expected to be detected by experiments. The recently observed resonance psi(3.1) is supposed to be the complex ghost of photon, since they have the same quantum numbers. If it is assumed, some properties of the resonance known by experiments are explained naturally to a certain extent. Along the same line it is not unnatural to expect that the photon is also accompanied by a tachyon as a ghost. An experiment to detect the tachyon is proposed. If the angular distribution of elastic electron-positron or electron-electron scattering is observed at a suitably high energy, then a peak will be found in the domain -1< cos theta<1, where it is assumed that the exchanged photon accompanies a tachyon. (auth.)

Vacancy complexes induce long-range ferromagnetism in GaN

KAUST Repository

Zhang, Zhenkui

2014-11-14

By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μB, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

Vacancy complexes induce long-range ferromagnetism in GaN

Energy Technology Data Exchange (ETDEWEB)

Zhang, Zhenkui; Schwingenschlögl, Udo, E-mail: Udo.Schwingenschlogl@kaust.edu.sa, E-mail: Iman.Roqan@kaust.edu.sa; Roqan, Iman S., E-mail: Udo.Schwingenschlogl@kaust.edu.sa, E-mail: Iman.Roqan@kaust.edu.sa [Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia)

2014-11-14

By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μ{sub B}, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

Vacancy complexes induce long-range ferromagnetism in GaN

KAUST Repository

Zhang, Zhenkui; Schwingenschlö gl, Udo; Roqan, Iman S.

2014-01-01

By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μB, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

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

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.

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.

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

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

Measuring Intermolecular Binding Energies by Laser Spectroscopy.

Science.gov (United States)

Knochenmuss, Richard; Maity, Surajit; Féraud, Géraldine; Leutwyler, Samuel

2017-02-22

The ground-state dissociation energy, D0(S0), of isolated intermolecular complexes in the gas phase is a fundamental measure of the interaction strength between the molecules. We have developed a three-laser, triply resonant pump-dump-probe technique to measure dissociation energies of jet-cooled M•S complexes, where M is an aromatic chromophore and S is a closed-shell 'solvent' molecule. Stimulated emission pumping (SEP) via the S0→S1 electronic transition is used to precisely 'warm' the complex by populating high vibrational levels v" of the S0 state. If the deposited energy E(v") is less than D0(S0), the complex remains intact, and is then mass- and isomer-selectively detected by resonant two-photon ionization (R2PI) with a third (probe) laser. If the pumped level is above D0(S0), the hot complex dissociates and the probe signal disappears. Combining the fluorescence or SEP spectrum of the cold complex with the SEP breakoff of the hot complex brackets D0(S0). The UV chromophores 1-naphthol and carbazole were employed; these bind either dispersively via the aromatic rings, or form a hydrogen bond via the -OH or -NH group. Dissociation energies have been measured for dispersively bound complexes with noble gases (Ne, Kr, Ar, Xe), diatomics (N2, CO), alkanes (methane to n-butane), cycloalkanes (cyclopropane to cycloheptane), and unsaturated compounds (ethene, benzene). Hydrogen-bond dissociation energies have been measured for H2O, D2O, methanol, ethanol, ethers (oxirane, oxetane), NH3 and ND3.

Genetics Home Reference: mitochondrial complex III deficiency

Science.gov (United States)

... the energy from food into a form that cells can use. Complex III is one of several complexes that ... in mtDNA. Because egg cells, but not sperm cells, contribute mitochondria to the ... from their mother. These disorders can appear in every generation of ...

PT-symmetry breaking in complex nonlinear wave equations and their deformations

International Nuclear Information System (INIS)

Cavaglia, Andrea; Fring, Andreas; Bagchi, Bijan

2011-01-01

We investigate complex versions of the Korteweg-deVries equations and an Ito-type nonlinear system with two coupled nonlinear fields. We systematically construct rational, trigonometric/hyperbolic and elliptic solutions for these models including those which are physically feasible in an obvious sense, that is those with real energies, but also those with complex energy spectra. The reality of the energy is usually attributed to different realizations of an antilinear symmetry, as for instance PT-symmetry. It is shown that the symmetry can be spontaneously broken in two alternative ways either by specific choices of the domain or by manipulating the parameters in the solutions of the model, thus leading to complex energies. Surprisingly, the reality of the energies can be regained in some cases by a further breaking of the symmetry on the level of the Hamiltonian. In many examples, some of the fixed points in the complex solution for the field undergo a Hopf bifurcation in the PT-symmetry breaking process. By employing several different variants of the symmetries we propose many classes of new invariant extensions of these models and study their properties. The reduction of some of these models yields complex quantum mechanical models previously studied.

The use of energy analysis and indexes of energy efficiency in nuclear power

International Nuclear Information System (INIS)

D'yakonov, E.I.; Ignatenko, E.I.

1991-01-01

The results of calculating the indexes of energy efficiency for NPPs with the WWER-1000 and RBMK-1000 reactors, heat and power NPPs with the WWER-1000 and dictrict heating NPPs with the AST-500 reactor in three fuel cycles, namely, the open one and with uranium and plutonium recycles, are considered. Complex account for the quantity and quality of produced and consumed energy provides for objective evaluation of the indexes of energy efficiency during comparative analysis of nuclear power plants with different types of reactors. It is shown that complex use of the energy produced at a NPP provides for increase of indexes of energy efficiency. The highest indexes are obtained for heat and power NPP with the WWER-1000 reactor in the open fuel cycle, with uranium and plutonium recycle and for NPP with the WWER-1000 reactor with plutonium recycle

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,

Theoretical study about L-arginine complexes formation with thiotriazolin

Directory of Open Access Journals (Sweden)

L. I. Kucherenko

2017-02-01

Full Text Available Brain vascular diseases are one of the leading causes of morbidity, mortality and disability of population in the industrialized countries of the world. An important element of this problem’s solution is the creation of new highly effective and safe drugs, which would lead to mortality reduction, to increase in life expectancy and quality of life. Therefore it is interesting to create a new combined drug based on L-arginine and thiotriazolin. Purpose of the study: to consider the possible structure and energy characteristics of complexes formed by L-arginine, 3-methyl-1,2,4-triazolyl-5-thioacetate (MTTA and morpholine. Calculation method. The initial approximation to the complex geometry was obtained using molecular docking with the help of AutoDock Vina program. The obtained ternary complexes were pre-optimized by semi-empirical PM7 method with modeling the impact of the environment by COSMO method. The calculations were carried out using MOPAC2012 program. Then they were optimized by B97-D3/SVP + COSMO (Water dispersion-corrected DFT-D with geometrical spreading correction on insufficiency of gCP basis set. A more accurate calculation of the solvation energy was conducted by SMD. The calculations by density functional method were carried out using the ORCA 3.0.3 software. Energy complex formation in solution was calculated as the difference of the Gibbs free energy of the solvated complex and its individual components. Results. Quantum chemical calculations show, that thiotriazolin and L-arginine are able to form ternary complexes, where molecules are linked by multiple hydrogen bonds. The calculation data suggest, that studied complexes are thermodynamically unstable in solution. The energies of them are positive, but rather low despite charge gain of a number of intermolecular hydrogen bonds. Finding. Based on the results of the conducted quantum-chemical study of a three components system (MTTA, morpholine, and L-arginine it is possible

Balancing energy flexibilities through aggregation

DEFF Research Database (Denmark)

Valsomatzis, Emmanouil; Hose, Katja; Pedersen, Torben Bach

2014-01-01

One of the main goals of recent developments in the Smart Grid area is to increase the use of renewable energy sources. These sources are characterized by energy fluctuations that might lead to energy imbalances and congestions in the electricity grid. Exploiting inherent flexibilities, which exist...... in both energy production and consumption, is the key to solving these problems. Flexibilities can be expressed as flex-offers, which due to their high number need to be aggregated to reduce the complexity of energy scheduling. In this paper, we discuss balance aggregation techniques that already during...... aggregation aim at balancing flexibilities in production and consumption to reduce the probability of congestions and reduce the complexity of scheduling. We present results of our extensive experiments....

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

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

Analysis of Project Finance | Energy Analysis | NREL

Science.gov (United States)

Analysis of Project Finance Analysis of Project Finance NREL analysis helps potential renewable energy developers and investors gain insights into the complex world of project finance. Renewable energy project finance is complex, requiring knowledge of federal tax credits, state-level incentives, renewable

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.

Factors in the complexation of lanthanides

International Nuclear Information System (INIS)

Choppin, G.R.

1976-01-01

The lanthanide cations are classified as hard acids and thus will coordinate strongly with oxygen and fluorine donor atoms. The electrostatic model is applied to lanthanide complexes with the dielectric constant as a parameter; the plot of ΔG vs sum of ionic radii confirm the ionic nature of the bonding. The enthalpy and entropy changes are shown to compensate each other to produce an almost linear variation in the free energy of complexation. Outer-sphere and inner-sphere complexation is discussed

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.

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

Making Sustainable Energy Choices: Insights on the Energy/Water/Land Nexus

Energy Technology Data Exchange (ETDEWEB)

2014-10-01

This periodic publication summarizes insights from the body of NREL analysis work. In this issue of Analysis Insights, we examine the implications of our energy choices on water, land use, climate, developmental goals, and other factors. Collectively, NREL's work helps policymakers and investors understand and evaluate energy choices within the complex web of connections, or nexus, between energy, water, and land.

Phycocyanin: One Complex, Two States, Two Functions

NARCIS (Netherlands)

Gwizdala, Michal; Krüger, Tjaart P.J.; Wahadoszamen, Md; Gruber, J. Michael; Van Grondelle, Rienk

2018-01-01

Solar energy captured by pigments embedded in light-harvesting complexes can be transferred to neighboring pigments, dissipated, or emitted as fluorescence. Only when it reaches a reaction center is the excitation energy stabilized in the form of a charge separation and converted into chemical

Complexes and imagination.

Science.gov (United States)

Kast, Verena

2014-11-01

Fantasies as imaginative activities are seen by Jung as expressions of psychic energy. In the various descriptions of active imagination the observation of the inner image and the dialogue with inner figures, if possible, are important. The model of symbol formation, as Jung describes it, can be experienced in doing active imagination. There is a correspondence between Jung's understanding of complexes and our imaginations: complexes develop a fantasy life. Complex episodes are narratives of difficult dysfunctional relationship episodes that have occurred repeatedly and are internalized with episodic memory. This means that the whole complex episode (the image for the child and the image for the aggressor, connected with emotions) is internalized and can get constellated in everyday relationship. Therefore inner dialogues do not necessarily qualify as active imaginations, often they are the expression of complex-episodes, very similar to fruitless soliloquies. If imaginations of this kind are repeated, new symbols and new possibilities of behaviour are not found. On the contrary, old patterns of behaviour and fantasies are perpetuated and become cemented. Imaginations of this kind need an intervention by the analyst. In clinical examples different kinds of imaginations are discussed. © 2014, The Society of Analytical Psychology.

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.

Level crossings in complex two-dimensional potentials

Indian Academy of Sciences (India)

Two-dimensional P T -symmetric quantum-mechanical systems with the complex cubic potential 12 = 2 + 2 + 2 and the complex Hénon–Heiles potential HH = 2 + 2 + (2 − 3/3) are investigated. Using numerical and perturbative methods, energy spectra are obtained to high levels. Although both ...

Spectroscopic and thermogravimetric study of nickel sulfaquinoxaline complex

International Nuclear Information System (INIS)

Tailor, Sanjay M.; Patel, Urmila H.

2016-01-01

The ability of sulfaquinoxaline (4-Amino-N-2-quinoxalinylbenzenesulfonamide) to form metal complexes are investigated. The nickel complex of sulfaquinoxaline is prepared by reflux method and characterized by CHN analysis and IR spectra. The results of IR spectral data suggest that the binding of nickel atom to the sulfonamidic nitrogen are in good agreement. The thermogravimetric analysis (TGA), differential thermal analysis (DTA) and differential thermogravimetric (DTG) analysis of nickel sulfaquinoxaline are carried out from ambient temperature to 750°C in inert nitrogen atmosphere. The activation energy, enthalpy, entropy and Gibbs free energy of nickel sulfaquinoxaline complex is determined from the thermal curves using Broido method. The results are reported in this paper.

Plastic scintillators with {beta}-diketone Eu complexes for high ionizing radiation detection

Energy Technology Data Exchange (ETDEWEB)

Adadurov, A.F., E-mail: adadurov@isma.kharkov.ua [Institute for Scintillating Materials, NAN of Ukraine, Lenin Avenue 60, 61001 Kharkov (Ukraine); Zhmurin, P.N.; Lebedev, V.N.; Kovalenko, V.N. [Institute for Scintillating Materials, NAN of Ukraine, Lenin Avenue 60, 61001 Kharkov (Ukraine)

2011-10-15

Luminescent and scintillation properties of polystyrene-based plastic scintillators with {beta}-diketone Eu complexes are investigated. A scintillator with dibenzoylmethane Eu complex containing two phenyl groups demonstrates the maximum scintillating efficiency. It is shown that plastic scintillators efficiency is dramatically decreased if {beta}-diketone derivatives contain no phenyl groups as substituents. This fact can be explained by exciplex mechanism of energy transfer from a matrix to Eu complex. - Highlights: > Fluorescent properties of polystyrene scintillators with {beta}-diketone complexes of Eu were studied. > Scintillating efficiency is increased with the number of phenyl groups in Eu complex. > This is related to exciplex mechanism of energy transfer from a polymer matrix to Eu complex.

Energy Security and Renewable Energy in Least Developed Countries

International Nuclear Information System (INIS)

Wohlgemuth, N.

2006-01-01

The Programme of Action for the Least Developed Countries (UN, 2001) states: The levels of production and consumption of energy in the majority of Least Developed Countries (LDCs) are inadequate and unstable. This clearly indicates a situation of energy insecurity. Starting from an encompassing definition of energy security (a country's ability to expand and optimise its energy resource portfolio and achieve a level of services that will sustain economic growth and poverty reduction), it becomes quickly clear that energy security in LDCs is a complex topic with numerous interlinkages to other sustainable development objectives. This paper attempts to give an overview of issues related to energy security in LDCs by focusing on the role renewable energy can play in that context.(author)

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.

Exploration of energy conservation opportunities through energy audit

International Nuclear Information System (INIS)

Swain, R.K.; Swain, A.K.; Subudhi, B.

1994-01-01

Developing countries like India, has to cater the imbalance of energy between the supply and demand in almost all the sectors, so as to devise energy conservation strategies. Electricity is one of the most convenient form of energy gifted to the mankind. The raising cost of electricity and the need to raise large resources to meet the required demand is only at the most of other important assets of the country. This gap between demand and supply can be partially met by appropriate energy conservation schemes through energy audit- a scientific approach for balancing the supply and demand. India has to go a long way ahead in it, therefore, energy audit has been initiated at vulnerable energy consuming places. This paper presents the effectiveness of energy audit strategy in achieving energy conservation. The energy audit of Shrama Shakti Bhavan, an office complex at New Delhi, has been taken as a case study for this work. (author). 2 refs., 12 tabs

Exploration of energy conservation opportunities through energy audit

International Nuclear Information System (INIS)

Swain, R.K.; Swain, A.K.; Subudhi, B.

1995-01-01

Developing countries like India, has to cater to the imbalance of energy between the supply and demand in almost all the sectors, so as to devise energy conservation strategies. Electricity is one of the most convenient form of energy gifted to the mankind. The raising cost of electricity and the need to raise large resources to meet the required demand is only at the cost of other important assets of the country. This gap between demand and supply can be partially met by appropriate energy conservation schemes through energy audit- a scientific approach for balancing the supply and demand. India has to go a long way ahead in it, therefore, energy audit has been initiated at vulnerable energy consuming places. This paper presents the effectiveness of energy audit strategy in achieving energy conservation. The energy audit of Shrama Shakti Bhavan, an office complex at New Delhi, has been taken as a case study. (author). 2 refs., 12 tabs

A golden age or a false dawn? Energy efficiency in UK competitive energy markets

International Nuclear Information System (INIS)

Eyre, N.

1998-01-01

Liberalisation of energy markets may affect the prospects for energy efficiency in a variety of ways. Downward pressure on prices will reduce incentives for efficiency and the end of a supply monopoly makes more difficult mandating demand side management programmes. On the other hand, the removal of price controls could end some regulatory disincentives, and liberalisation enables suppliers to market energy efficiency bundled with energy units. The overall effects of liberalisation for energy efficiency are therefore complex. This paper focuses on the effects of liberalisation on those characteristics of energy markets which underpin long-term energy inefficiency. These barriers to energy efficiency have been shown to arise from fundamental features of traditional utility markets - notably centralisation, commoditization and the complexity of demand side investment. The extent to which these will be altered in liberalised markets in the UK is considered. It is concluded that some important market imperfections are not addressed by competition in the supply of energy commodities. However, more fundamental changes may in the longer term encourage more differentiation in supply markets, in which there could be higher priority for energy efficiency. The policy measures which might encourage the process are discussed. (author)

Kinetic theory of nonlinear transport phenomena in complex plasmas

International Nuclear Information System (INIS)

Mishra, S. K.; Sodha, M. S.

2013-01-01

In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.

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

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...

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

Cyclodextrin--piroxicam inclusion complexes: analyses by mass spectrometry and molecular modelling

Science.gov (United States)

Gallagher, Richard T.; Ball, Christopher P.; Gatehouse, Deborah R.; Gates, Paul J.; Lobell, Mario; Derrick, Peter J.

1997-11-01

Mass spectrometry has been used to investigate the natures of non-covalent complexes formed between the anti-inflammatory drug piroxicam and [alpha]-, [beta]- and [gamma]-cyclodextrins. Energies of these complexes have been calculated by means of molecular modelling. There is a correlation between peak intensities in the mass spectra and the calculated energies.

On energy demand

International Nuclear Information System (INIS)

Haefele, W.

1977-01-01

Since the energy crisis, a number of energy plans have been proposed, and almost all of these envisage some kind of energy demand adaptations or conservation measures, hoping thus to escape the anticipated problems of energy supply. However, there seems to be no clear explanation of the basis on which our foreseeable future energy problems could be eased. And in fact, a first attempt at a more exact definition of energy demand and its interaction with other objectives, such as economic ones, shows that it is a highly complex concept which we still hardly understand. The article explains in some detail why it is so difficult to understand energy demand

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.

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.

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.

78 FR 76599 - Nuclear Energy Advisory Committee

Science.gov (United States)

2013-12-18

... DEPARTMENT OF ENERGY Nuclear Energy Advisory Committee AGENCY: Office of Nuclear Energy..., General Services Administration, notice is hereby given that the Nuclear Energy Advisory Committee (NEAC... to the Department of Energy's Office of Nuclear Energy on complex science and technical issues that...

Aqueous actinide complexes: A thermochemical assessment

International Nuclear Information System (INIS)

Fuger, J.; Khodakovsky, I.L.; Medvedev, V.A.; Navratil, J.D.

1979-01-01

The scope and purpose of an assessment of the thermodynamic properties of the aqueous actinide complexes are presented. This work which, at present, is limited to inorganic ligands and three selected organic ligands (formate, acetate and oxalate), is part of an effort established by the International Atomic Energy Agency to assess the thermodynamic properties of the actinides and their compounds. The problems involved in this work are illustrated by discussing the present status of the assessment as related to a few complex species, (hydroxyl-, fluoride-, carbonate complexes). (orig.) [de

Theory of complex potential scattering

International Nuclear Information System (INIS)

Kok, L.P.; Haeringen, H.v.

1981-01-01

We study the effect of the addition of a complex potential lambdaV/sub sep/ to an arbitrary Schroedinger operator H = H 0 +V on the singularities of the S matrix, as a function of lambda. Here V/sub sep/ is a separable interaction, and lambda is a complex coupling parameter. The paths of these singularities are determined to a great extent by certain saddle points in the momentum (or energy) plane. We explain certain critical phenomena recently reported in the literature. Associated with these saddles are branch-type singularities in the complex lambda plane, which are dynamical in origin. Some examples are discussed in detail

Status of the HIRFL–CSR complex

International Nuclear Information System (INIS)

Yuan, Y.J.; Yang, J.C.; Xia, J.W.; Yuan, P.; Qiao, W.M.; Gao, D.Q.; Xiao, G.Q.; Zhao, H.W.; Xu, H.S.; Song, M.T.; Yang, X.D.; Cai, X.H.; Ma, L.Z.; Yang, X.T.; Man, K.T.; He, Y.; Zhou, Z.Z.; Zhang, J.H.; Xu, Z.; Liu, Y.

2013-01-01

Highlights: • HIRFL is in a very positive state and can provide all ion species with maximum energy to 1 GeV/u (A/q = 2). • Present status of HIRFL complex is given as well as the new progress on operation and improvement. • With emphasize on HIRFL–CSR project, main features realized during the commissioning and operation are described in detail. • The progress on physics experiments and hadron cancer therapy are also presented. -- Abstract: The HIRFL–CSR, as an upgrade of the HIRFL, has been put into operation since 2008. Together with a series of improvements of injector cyclotrons, the HIRFL is in a very good state and can provide all ion species from proton to uranium with energy variable from ion source energy to 1 GeV/u (A/q = 2). Present status of the HIRFL–CSR complex is given. Main features realized during the commissioning and operation are described in detail. The progress on physics experiments and cancer therapy are also presented

Plastic scintillators with β-diketone Eu complexes for high ionizing radiation detection

International Nuclear Information System (INIS)

Adadurov, A.F.; Zhmurin, P.N.; Lebedev, V.N.; Kovalenko, V.N.

2011-01-01

Luminescent and scintillation properties of polystyrene-based plastic scintillators with β-diketone Eu complexes are investigated. A scintillator with dibenzoylmethane Eu complex containing two phenyl groups demonstrates the maximum scintillating efficiency. It is shown that plastic scintillators efficiency is dramatically decreased if β-diketone derivatives contain no phenyl groups as substituents. This fact can be explained by exciplex mechanism of energy transfer from a matrix to Eu complex. - Highlights: → Fluorescent properties of polystyrene scintillators with β-diketone complexes of Eu were studied. → Scintillating efficiency is increased with the number of phenyl groups in Eu complex. → This is related to exciplex mechanism of energy transfer from a polymer matrix to Eu complex.

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.

Pentacoordinated organoaluminum complexes: A computational insight

KAUST Repository

Milione, Stefano

2012-12-24

The geometry and the electronic structure of a series of organometallic pentacoordinated aluminum complexes bearing tri- or tetradentate N,O-based ligands have been investigated with theoretical methods. The BP86, B3LYP, and M06 functionals reproduce with low accuracy the geometry of the selected complexes. The worst result was obtained for the complex bearing a Schiff base ligand with a pendant donor arm, aeimpAlMe2 (aeimp = N-2-(dimethylamino)ethyl-(3,5-di-tert-butyl)salicylaldimine). In particular, the Al-Namine bond distance was unacceptably overestimated. This failure suggests a reasonably flat potential energy surface with respect to Al-N elongation, indicating a weak interaction with probably a strong component of dispersion forces. MP2 and M06-2X methods led to an acceptable value for the same Al-N distance. Better results were obtained with the addition of the dispersion correction to the hybrid B3LYP functional (B3LYP-D). Natural bond orbital analysis revealed that the contribution of the d orbital to the bonding is very small, in agreement with several previous studies of hypervalent molecules. The donation of electronic charge from the ligand to metal mainly consists in the interactions of the lone pairs on the donor atoms of the ligands with the s and p valence orbitals of the aluminum. The covalent bonding of the Al with the coordinated ligand is weak, and the interactions between Al and the coordinated ligands are largely ionic. To further explore the geometrical and electronic factors affecting the formation of these pentacoordianted aluminum complexes, we considered the tetracoordinated complex impAlMe2 (imp = N-isopropyl-(3,5-di-tert-butyl)salicylaldimine)), analogous to aeimpAlMe 2, and we investigated the potential energy surface around the aluminum atom corresponding to the approach of NMe3 to the metal center. At the MP2/6-31G(d) level of theory, a weak attraction was revealed only when NMe3 heads toward the metal center through the directions

Pentacoordinated organoaluminum complexes: A computational insight

KAUST Repository

Milione, Stefano; Milano, Giuseppe; Cavallo, Luigi

2012-01-01

The geometry and the electronic structure of a series of organometallic pentacoordinated aluminum complexes bearing tri- or tetradentate N,O-based ligands have been investigated with theoretical methods. The BP86, B3LYP, and M06 functionals reproduce with low accuracy the geometry of the selected complexes. The worst result was obtained for the complex bearing a Schiff base ligand with a pendant donor arm, aeimpAlMe2 (aeimp = N-2-(dimethylamino)ethyl-(3,5-di-tert-butyl)salicylaldimine). In particular, the Al-Namine bond distance was unacceptably overestimated. This failure suggests a reasonably flat potential energy surface with respect to Al-N elongation, indicating a weak interaction with probably a strong component of dispersion forces. MP2 and M06-2X methods led to an acceptable value for the same Al-N distance. Better results were obtained with the addition of the dispersion correction to the hybrid B3LYP functional (B3LYP-D). Natural bond orbital analysis revealed that the contribution of the d orbital to the bonding is very small, in agreement with several previous studies of hypervalent molecules. The donation of electronic charge from the ligand to metal mainly consists in the interactions of the lone pairs on the donor atoms of the ligands with the s and p valence orbitals of the aluminum. The covalent bonding of the Al with the coordinated ligand is weak, and the interactions between Al and the coordinated ligands are largely ionic. To further explore the geometrical and electronic factors affecting the formation of these pentacoordianted aluminum complexes, we considered the tetracoordinated complex impAlMe2 (imp = N-isopropyl-(3,5-di-tert-butyl)salicylaldimine)), analogous to aeimpAlMe 2, and we investigated the potential energy surface around the aluminum atom corresponding to the approach of NMe3 to the metal center. At the MP2/6-31G(d) level of theory, a weak attraction was revealed only when NMe3 heads toward the metal center through the directions

The energy outlook in Turkey and the prospects for nuclear energy

International Nuclear Information System (INIS)

Goktepe, B.G.

1988-01-01

Energy planning and policy in Turkey is dependent on domestic resources and international financial and political issues. The limited but varied existence of alternative energy resources has lead to a complex structure of energy production. Energy resources in use range from wood and dung, through coal, oil, natural gas and hydro to geothermal and solar. The inadequate output from these domestic resources set against increasing energy demand and dependence on imported energy, supports the case for the introduction of nuclear energy. Another favourable circumstance for nuclear energy is the availability within the country of considerable amounts of uranium and thorium. However, financial constraints are among the most important factors influencing the final decision making. (U.K.)

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.

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.

Energy Consumption Management in Design

NARCIS (Netherlands)

Smit, Jaap

1997-01-01

A survey of the basic issues in low power design is presented, including techniques for the analysis of energy consumption in the early design phase of analog and digital circuits. The concept of energy complexity will be introduced in conjunction with techniques for parameterized energy management.

Photodissociation spectroscopy of the Mg+-acetic acid complex

Science.gov (United States)

Abate, Yohannes; Kleiber, P. D.

2006-11-01

We have studied the structure and photodissociation of Mg+-acetic acid clusters. Ab initio calculations suggest four relatively strongly bound ground state isomers for the [MgC2H4O2]+ complex. These isomers include the cis and trans forms of the Mg+-acetic acid association complex with Mg+ bonded to the carbonyl O atom of acetic acid, the Mg+-acetic acid association complex with Mg+ bonded to the hydroxyl O atom of acetic acid, or to a Mg+-ethenediol association complex. Photodissociation through the Mg+-based 3p←3s absorption bands in the near UV leads to direct (nonreactive) and reactive dissociation products: Mg+, MgOH+, Mg(H2O )+, CH3CO+, and MgCH3+. At low energies the dominant reactive quenching pathway is through dehydration to Mg(H2O)+, but additional reaction channels involving C-H and C-C bond activation are also open at higher energies.

Design scenarios for renovation of sports complex: a case study

Science.gov (United States)

Nižetić, S.

2018-02-01

This paper elaborates design scenarios for a sports complex in Croatia from a technical and economic aspect. Different energy options are analysed and two are additionally addressed and discussed as the most viable ones. The possibilities of sports complex renovation are shown by properly choosing the appropriate energy concept and thus reducing the overall cost for produced thermal energy by around 33% and reducing the carbon dioxide emission by a factor of 1.8 in comparison with its present state. Finally, this study presents an example of good practice, where renewable energy solutions can be proposed and where it is possible to cover around 70-80% of overall yearly costs from achieved energy savings for the novel plant that is assumed to be financed through a bank loan.

Transforming the New Brunswick Energy Hub: An Analysis on Renewable Energy

Science.gov (United States)

Gunter, Christopher

This research examines the benefits and disadvantages of instituting a shift from fossil fuel dependence to renewable sources of energy in New Brunswick. The New Brunswick Energy Hub is a complex system acting under the mandate of the White Paper New Brunswick Energy Policy. In my research, I consider information derived from statistical indicators developed by Patlitzianas, Doukas, Kagiannas and Psarras (2008) and compare these findings to the efficacy of energy policies in Germany, Denmark and Spain. These countries are similar to New Brunswick in climate and organizational complexity (US Department of Commerce, 2009). Weighing the outcomes of this comparative study, I discuss my recommendations highlighting the environmental and economic benefits. My research investigates subsidies in each country that allowed them early economic and environmental advantages. Specific regional considerations, such as Denmark's trend of selling energy technology for profit over domestic applications, inform my conclusions. The future New Brunswick Energy Policy should focus on creating favorable conditions for renewable energy development to occur. Some proven conditions include infrastructure development subsidies and the development and annual review of a competitive open access transmission tariff. With the expiry of the current White Paper comes the necessity of this investigation, and the opportunity to address the growing financial and environmental concerns that many politicians and policy planners have failed to deal with in past policies.

Evolution of complexity following a global quench

Science.gov (United States)

Moosa, Mudassir

2018-03-01

The rate of complexification of a quantum state is conjectured to be bounded from above by the average energy of the state. A different conjecture relates the complexity of a holographic CFT state to the on-shell gravitational action of a certain bulk region. We use `complexity equals action' conjecture to study the time evolution of the complexity of the CFT state after a global quench. We find that the rate of growth of complexity is not only consistent with the conjectured bound, but it also saturates the bound soon after the system has achieved local equilibrium.

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 + A_implies^hv 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.

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.

Dynamics of Fos-Jun-NFAT1 complexes.

Science.gov (United States)

Ramirez-Carrozzi, V R; Kerppola, T K

2001-04-24

Transcription initiation in eukaryotes is controlled by nucleoprotein complexes formed through cooperative interactions among multiple transcription regulatory proteins. These complexes may be assembled via stochastic collisions or defined pathways. We investigated the dynamics of Fos-Jun-NFAT1 complexes by using a multicolor fluorescence resonance energy transfer assay. Fos-Jun heterodimers can bind to AP-1 sites in two opposite orientations, only one of which is populated in mature Fos-Jun-NFAT1 complexes. We studied the reversal of Fos-Jun binding orientation in response to NFAT1 by measuring the efficiencies of energy transfer from donor fluorophores linked to opposite ends of an oligonucleotide to an acceptor fluorophore linked to one subunit of the heterodimer. The reorientation of Fos-Jun by NFAT1 was not inhibited by competitor oligonucleotides or heterodimers. The rate of Fos-Jun reorientation was faster than the rate of heterodimer dissociation at some binding sites. The facilitated reorientation of Fos-Jun heterodimers therefore can enhance the efficiency of Fos-Jun-NFAT1 complex formation. We also examined the influence of the preferred orientation of Fos-Jun binding on the stability and transcriptional activity of Fos-Jun-NFAT1 complexes. Complexes formed at sites where Fos-Jun favored the same binding orientation in the presence and absence of NFAT1 exhibited an 8-fold slower dissociation rate than complexes formed at sites where Fos-Jun favored the opposite binding orientation. Fos-Jun-NFAT1 complexes also exhibited greater transcription activation at promoter elements that favored the same orientation of Fos-Jun binding in the presence and absence of NFAT1. Thus, the orientation of heterodimer binding can influence both the dynamics and promoter selectivity of multiprotein transcription regulatory complexes.

Enumeration of RNA complexes via random matrix theory.

Science.gov (United States)

Andersen, Jørgen E; Chekhov, Leonid O; Penner, Robert C; Reidys, Christian M; Sułkowski, Piotr

2013-04-01

In the present article, we review a derivation of the numbers of RNA complexes of an arbitrary topology. These numbers are encoded in the free energy of the Hermitian matrix model with potential V(x)=x2/2-stx/(1-tx), where s and t are respective generating parameters for the number of RNA molecules and hydrogen bonds in a given complex. The free energies of this matrix model are computed using the so-called topological recursion, which is a powerful new formalism arising from random matrix theory. These numbers of RNA complexes also have profound meaning in mathematics: they provide the number of chord diagrams of fixed genus with specified numbers of backbones and chords as well as the number of cells in Riemann's moduli spaces for bordered surfaces of fixed topological type.

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.

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.

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.

Financial overview of integrated community energy systems

Energy Technology Data Exchange (ETDEWEB)

Croke, K. G.; Hurter, A. P.; Lerner, E.; Breen, W.; Baum, J.

1977-01-01

This report is designed to analyze the commercialization potential of various concepts of community-scale energy systems that have been termed Integrated Community Energy Systems (ICES). A case analysis of alternative ICES concepts applied to a major metropolitan development complex is documented. The intent of this study is twofold: (1) to develop a framework for comparing ICES technologies to conventional energy supply systems and (2) to identify potential problems in the commercialization of new systems approaches to energy conservation. In brief, the ICES Program of the ERDA Office of Energy Conservation is intended to identify the opportunities for energy conservation in the community context through analysis, development, and/or demonstration of: location and design of buildings, building complexes, and infrastructure links; engineering and systems design of existing, emerging, and advanced energy production and delivery technologies and systems; regulatory designs for public planning, administration, and regulation of energy-conserving community development and energy services; and financial planning for energy-conserving community development and energy supply systems.

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.

The big experimental manual of Free Energy. Cold Fusion - Tesla-Waves - Space-Quantum-Energy - a.o.; Das grosse Freie Energie Experimentier-Handbuch. Kalte Fusion - Tesla-Wellen - Raum-Quanten-Energie - u.v.m.

Energy Technology Data Exchange (ETDEWEB)

Lay, P.; Chmela, H.; Wiedergut, W.

2004-07-01

The main topics of the lectures are: Experiments on cold fusion; Information on space-quantum energy; phenomena of rotating magnets; advanced electrostatic motors; generation of scalar waves; complex rotating fields and levitation from an advanced view; free energy converters. (GL)

Integration of renewable and conventional energies. How to design future energy systems?

Energy Technology Data Exchange (ETDEWEB)

Hellinger, Rolf [Siemens AG, Erlangen (Germany). CT RTC PET

2015-07-01

The worldwide increasing energy demand, especially in the economically emerging countries, and the climate change are a major challenge for the energy supply. One of the most severe challenges is the reduction of carbon dioxide emissions which can also be seen in the planned investment for energy systems. At the same time, energy systems worldwide are in transition, driven by market and technology trends. As a consequence of these trends, the complexity of future energy systems will extremely increase. The paper outlines a new approach for sustainable, reliable and affordable energy systems of the future, based on technologies, available and under development, which combine different forms of energy.

Integration of renewable and conventional energies. How to design future energy systems?

International Nuclear Information System (INIS)

Hellinger, Rolf

2015-01-01

The worldwide increasing energy demand, especially in the economically emerging countries, and the climate change are a major challenge for the energy supply. One of the most severe challenges is the reduction of carbon dioxide emissions which can also be seen in the planned investment for energy systems. At the same time, energy systems worldwide are in transition, driven by market and technology trends. As a consequence of these trends, the complexity of future energy systems will extremely increase. The paper outlines a new approach for sustainable, reliable and affordable energy systems of the future, based on technologies, available and under development, which combine different forms of energy.

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

Risks and benefits of energy systems in Czechoslovakia

International Nuclear Information System (INIS)

Bohal, L.; Erban, P.; Kadlec, J.; Kraus, V.; Trcka, V.

1984-01-01

The paper describes the fundamental philosophy of an approach to risk and benefit assessment in the fuel and energy complex in Czechoslovakia. The first part analyses the need to solve the risk and benefit problems stemming from structural changes occurring in the Czechoslovakian fuel and energy complex. The second part describes main features of risk and benefit research with special respect to the fuel and energy complex defined within the framework of the national economy with interfaces to the relevant environment. Furthermore, a glimpse is given of how to assess, using the general philosophy, the risks and benefits of various developing variants of the fuel and energy complex. The third part deals with methodological aspects of such risk and benefit evaluation research with special consideration of the methods of long-term prediction in structural analysis and multi-measure assessment. Finally, further progress in solving these problems in VUPEK and some other Czechoslovakian scientific institutions is briefly noted. (author)

Evaluating Energy Efficiency Policies with Energy-Economy Models

Energy Technology Data Exchange (ETDEWEB)

Mundaca, Luis; Neij, Lena; Worrell, Ernst; McNeil, Michael A.

2010-08-01

The growing complexities of energy systems, environmental problems and technology markets are driving and testing most energy-economy models to their limits. To further advance bottom-up models from a multidisciplinary energy efficiency policy evaluation perspective, we review and critically analyse bottom-up energy-economy models and corresponding evaluation studies on energy efficiency policies to induce technological change. We use the household sector as a case study. Our analysis focuses on decision frameworks for technology choice, type of evaluation being carried out, treatment of market and behavioural failures, evaluated policy instruments, and key determinants used to mimic policy instruments. Although the review confirms criticism related to energy-economy models (e.g. unrealistic representation of decision-making by consumers when choosing technologies), they provide valuable guidance for policy evaluation related to energy efficiency. Different areas to further advance models remain open, particularly related to modelling issues, techno-economic and environmental aspects, behavioural determinants, and policy considerations.

He-, Ne-, and Ar-phosgene intermolecular potential energy surfaces

DEFF Research Database (Denmark)

Munteanu, Cristian R.; Henriksen, Christian; Felker, Peter M.

2013-01-01

Using the CCSD(T) model, we evaluated the intermolecular potential energy surfaces of the He-, Ne-, and Ar-phosgene complexes. We considered a representative number of intermolecular geometries for which we calculated the corresponding interaction energies with the augmented (He complex) and doub...... of the complexes, providing valuable results for future experimental investigations. Comparing our results to those previously available for other phosgene complexes, we suggest that the results for Cl2-phosgene should be revised....

Left-wing choices for the century of energy; Linkse keuzes voor de eeuw van de energie

Energy Technology Data Exchange (ETDEWEB)

Samsom, D.; Van Est, R.; Verbong, G.; Zwerver, S.; Jansen, F.; Sluijter, F.W.; Wiersma, J.M.; Reehuis, G.

2007-07-01

In this issue of the magazine of the Wiardi Beckman Foundation (the scientific office for the social-democratic party in the Netherlands, the PvdA) five articles are dedicated to complex energy problems (e.g. energy supply security, climatic change) from the perspective of the social democrats. The titles of the contributions are: (1) Energy responsibility. Sustainable, reliable, democratic; (2) Stop the wind turbines; (3) No fear for nuclear power plants; (4) Energy in the polder mix; and (5) Energy is not the only connection between Europe and the Russian Federation. [Dutch] In deze aflevering van het tijdschrift van de Wiardi Beckman Stichting (het wetenschappelijk bureau van de Partij van de Arbeid) wordt in vijf artikelen vanuit een sociaal-democratisch perspectief gekeken naar de wijze waarop het complexe energievraagstuk, van voorzieningszekerheid en klimaat, het hoofd kan worden geboden. De titels van de bijdragen zijn (1) Verantwoorde energie: duurzaam, degelijk, democratisch; (2) Stop de windmolens; Geen angst voor kerncentrales; Energie in de poldermix; en Energie is niet het enige dat Rusland en Europa bindt.

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.)

Intersystem crossing in complex molecules

International Nuclear Information System (INIS)

Pappalardo, R.G.

1980-01-01

The general question of singlet-triplet intersystem crossing is addressed in the context of large organic molecules, i.e., ''complex'' molecules capable of self-relaxation in the absence of collisions. Examples of spectral properties of such molecules in the vapor phase are discussed, relying on extensive Russian literature in this area. Formal expressions for the relaxation rate in the electronic excited states are derived on the basis of the formalism of collision theory, and are applied to the specific case of intersystem crossing. The derivation of the ''energy-gap'' law for triplet-singlet conversion in aromatic hydrocarbons is briefly outlined. The steep rise of internal conversion rates as a function of excess excitation energy, and its competition with the intersystem crossing process, are reviewed for the case of naphthalene vapor. A general expression for the spin-orbit interaction Hamiltonian in molecular systems is outlined. Experimental observations on singlet-triplet conversion rates and the factors that can drastically affect such rates are discussed, with emphasis on the ''in- ternal'' and ''external'' heavy-atom effects. Basic relations of ESR spectroscopy and magnetophotoselection are reviewed. Technological implications of the singlet-triplet crossing in complex molecules are discussed in the context of chelate lasers, dye lasers and luminescent displays. Effects related to singlet-triplet crossing, and generally to excited-state energy-transfer in biological systems, are exemplified by the role of aromatic amino-acids in the phosphorescence of proteins, by some recent studies of energy-transfer in models of biomembranes, and by the clustering of triplet-energy donor-acceptor pairs in micelles

Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions.

Science.gov (United States)

Meyer, Michael; Steinke, Thomas; Sühnel, Jürgen

2007-02-01

Isoguanine tetraplexes and pentaplexes contain two or more stacked polyads with intercalating metal ions. We report here the results of a density functional study of sandwiched isoguanine tetrad and pentad complexes consisting of two polyads with Na(+), K(+) and Rb(+) ions at the B3LYP level. In comparison to single polyad metal ion complexes, there is a trend towards increased non-planarity of the polyads in the sandwich complexes. In general, the pentad sandwiches have relatively planar polyad structures, whereas the tetrad complexes contain highly non-planar polyad building blocks. As in other sandwich complexes and in metal ion complexes with single polyads, the metal ion-base interaction energy plays an essential role. In iG sandwich structures, this interaction energy is slightly larger than in the corresponding guanine sandwich complexes. Because the base-base interaction energy is even more increased in passing from guanine to isoguanine, the isoguanine sandwiches are thus far the only examples where the base-base interaction energy is larger than the base-metal ion interaction energy. Stacking interactions have been studied in smaller models consisting of two bases, retaining the geometry from the complete complex structures. From the data obtained at the B3LYP and BH&H levels and with Møller-Plesset perturbation theory, one can conclude that the B3LYP method overestimates the repulsion in stacked base dimers. For the complexes studied in this work, this is only of minor importance because the direct inter-tetrad or inter-pentad interaction is supplemented by a strong metal ion-base interaction. Using a microsolvation model, the metal ion preference K(+) approximately Rb(+) > Na(+) is found for tetrad complexes. On the other hand, for pentads the ordering is Rb(+) > K(+) > Na(+). In the latter case experimental data are available that agree with this prediction.

Theoretical Study of Spin Crossover in 30 Iron Complexes

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2016-01-01

Spin crossover was studied in 30 iron complexes using density functional theory to quantify the direction and magnitude of dispersion, relativistic effects, zero-point energies, and vibrational entropy. Remarkably consistent entropy−enthalpy compensation was identified. Zero-point energies favor...

Energy control and sustainable development

International Nuclear Information System (INIS)

2002-01-01

The contributions are dealing with the different aspects of energy control: key figures of the world consumption, evolution perspectives (energy control and energy demand in middle- and long-term world scenarios, global challenges, European perspectives, energy control in public decision in France, the new French energy accounting), regional differences (energy control in the United States, Russia, China, India, Brazil, West Africa, Mediterranean Sea), energy control and society (electricity privatisation in Salvador, regulatory approach or voluntary agreements for domestic appliances, comparison of energy control and renewable energies in France, complex accounting for energy demand control in a consumption society)

Energy and supply concepts. Pt. 3. Energie- und Versorgungskonzepte. T. 3

Energy Technology Data Exchange (ETDEWEB)

Kolodziejczyk, K

1989-01-01

Part three deals with the classification of energy and supply concepts (primary and secondary energy sources, energy conversion processes). A discussion of classification criteria (4 criteria, different process levels) is followed by a description of process and energy flows (flowsheet showing the energy flow of an interconnected system combining electric power/steam/heat supplies and refrigeration), a presentation of concrete energy and supply concepts (flow sheet, selection and evaluation criteria, situation and process analysis, cost-benefit analysis, use of computers, system value analysis), approaches and solutions (decisions). The complex task of finding appropriate supply solutions is found to be depending on the knowledge, creativity, and methodical skill of those in charge. (HWJ).

The uniqueness of the energy security, justice, and governance problem

International Nuclear Information System (INIS)

Goldthau, Andreas; Sovacool, Benjamin K.

2012-01-01

This article argues that among all policy fields exhibiting externalities of a global scale, energy stands out on four dimensions: vertical complexity, horizontal complexity, higher entailed costs, and stronger path dependency. These structural attributes are at odds with contemporary key challenges of energy security, energy justice, and low carbon energy transition. With regard to the latter, energy governance challenges occur related to unclear levels of authority and weak resilience. This has implications for energy scholarship, specifically relating to the political economy of energy transitions, discussions about common pool resources, systems analysis, and other neighboring disciplines. - Highlights: ► Among all policy fields exhibiting global externalities, energy stands out. ► It is characterized by greater complexity, higher costs, and stronger path dependency. ► This is at odds with key challenges relating to security, justice, and transition. ► Problems are particularly related to unclear levels of authority and weak resilience. ► Energy scholarship needs to focus further on these issues.

Geothermal heating saves energy

International Nuclear Information System (INIS)

Romsaas, Tor

2003-01-01

The article reviews briefly a pioneer project for a construction area of 200000 m''2 with residences, business complexes, a hotel and conference centre and a commercial college in Oslo. The energy conservation potential is estimated to be about 60-70 % compared to direct heating with oil, gas or electricity as sources. There will also be substantial reduction in environmentally damaging emissions. The proposed energy central combines geothermal energy sources with heat pump technology, utilises water as energy carrier and uses terrestrial wells for energy storage. A cost approximation is presented

Photoelectron spectra and electronic structure of some spiroborate complexes

Energy Technology Data Exchange (ETDEWEB)

Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

2014-12-15

Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

(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 ...

H2XP:OH2 Complexes: Hydrogen vs. Pnicogen Bonds

Directory of Open Access Journals (Sweden)

Ibon Alkorta

2016-02-01

Full Text Available A search of the Cambridge Structural Database (CSD was carried out for phosphine-water and arsine-water complexes in which water is either the proton donor in hydrogen-bonded complexes, or the electron-pair donor in pnicogen-bonded complexes. The range of experimental P-O distances in the phosphine complexes is consistent with the results of ab initio MP2/aug’-cc-pVTZ calculations carried out on complexes H2XP:OH2, for X = NC, F, Cl, CN, OH, CCH, H, and CH3. Only hydrogen-bonded complexes are found on the H2(CH3P:HOH and H3P:HOH potential surfaces, while only pnicogen-bonded complexes exist on H2(NCP:OH2, H2FP:OH2, H2(CNP:OH2, and H2(OHP:OH2 surfaces. Both hydrogen-bonded and pnicogen-bonded complexes are found on the H2ClP:OH2 and H2(CCHP:OH2 surfaces, with the pnicogen-bonded complexes more stable than the corresponding hydrogen-bonded complexes. The more electronegative substituents prefer to form pnicogen-bonded complexes, while the more electropositive substituents form hydrogen-bonded complexes. The H2XP:OH2 complexes are characterized in terms of their structures, binding energies, charge-transfer energies, and spin-spin coupling constants 2hJ(O-P, 1hJ(H-P, and 1J(O-H across hydrogen bonds, and 1pJ(P-O across pnicogen bonds.

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.

Unique double concentric ring organization of light harvesting complexes in Gemmatimonas phototrophica.

Directory of Open Access Journals (Sweden)

Marko Dachev

2017-12-01

Full Text Available The majority of life on Earth depends directly or indirectly on the sun as a source of energy. The initial step of photosynthesis is facilitated by light-harvesting complexes, which capture and transfer light energy into the reaction centers (RCs. Here, we analyzed the organization of photosynthetic (PS complexes in the bacterium G. phototrophica, which so far is the only phototrophic representative of the bacterial phylum Gemmatimonadetes. The isolated complex has a molecular weight of about 800 ± 100 kDa, which is approximately 2 times larger than the core complex of Rhodospirillum rubrum. The complex contains 62.4 ± 4.7 bacteriochlorophyll (BChl a molecules absorbing in 2 distinct infrared absorption bands with maxima at 816 and 868 nm. Using femtosecond transient absorption spectroscopy, we determined the energy transfer time between these spectral bands as 2 ps. Single particle analyses of the purified complexes showed that they were circular structures with an outer diameter of approximately 18 nm and a thickness of 7 nm. Based on the obtained, we propose that the light-harvesting complexes in G. phototrophica form 2 concentric rings surrounding the type 2 RC. The inner ring (corresponding to the B868 absorption band is composed of 15 subunits and is analogous to the inner light-harvesting complex 1 (LH1 in purple bacteria. The outer ring is composed of 15 more distant BChl dimers with no or slow energy transfer between them, resulting in the B816 absorption band. This completely unique and elegant organization offers good structural stability, as well as high efficiency of light harvesting. Our results reveal that while the PS apparatus of Gemmatimonadetes was acquired via horizontal gene transfer from purple bacteria, it later evolved along its own pathway, devising a new arrangement of its light harvesting complexes.

Pharmacologically significant tetraaza macrocyclic metal complexes ...

Indian Academy of Sciences (India)

MOHAMMAD SHAKIR

2017-11-22

Nov 22, 2017 ... structural biological models.6 Hence, biological prop- erties of ... poor water solubility, exhibits intrinsic resistance and ..... pdb). The metal complex files were drawn using. ChemDraw (MM2) and their energies were minimized.

Unified analysis of ensemble and single-complex optical spectral data from light-harvesting complex-2 chromoproteins for gaining deeper insight into bacterial photosynthesis

Science.gov (United States)

Pajusalu, Mihkel; Kunz, Ralf; Rätsep, Margus; Timpmann, Kõu; Köhler, Jürgen; Freiberg, Arvi

2015-11-01

Bacterial light-harvesting pigment-protein complexes are very efficient at converting photons into excitons and transferring them to reaction centers, where the energy is stored in a chemical form. Optical properties of the complexes are known to change significantly in time and also vary from one complex to another; therefore, a detailed understanding of the variations on the level of single complexes and how they accumulate into effects that can be seen on the macroscopic scale is required. While experimental and theoretical methods exist to study the spectral properties of light-harvesting complexes on both individual complex and bulk ensemble levels, they have been developed largely independently of each other. To fill this gap, we simultaneously analyze experimental low-temperature single-complex and bulk ensemble optical spectra of the light-harvesting complex-2 (LH2) chromoproteins from the photosynthetic bacterium Rhodopseudomonas acidophila in order to find a unique theoretical model consistent with both experimental situations. The model, which satisfies most of the observations, combines strong exciton-phonon coupling with significant disorder, characteristic of the proteins. We establish a detailed disorder model that, in addition to containing a C2-symmetrical modulation of the site energies, distinguishes between static intercomplex and slow conformational intracomplex disorders. The model evaluations also verify that, despite best efforts, the single-LH2-complex measurements performed so far may be biased toward complexes with higher Huang-Rhys factors.

Alderney 5 complex demonstration project

Energy Technology Data Exchange (ETDEWEB)

Stewart, D. [High Performance Energy Systems, Halifax, NS (Canada)

2008-07-01

The Halifax Regional Municipality (HRM) is the largest municipality in Atlantic Canada. This presentation described the flagship facility and the energy efficiency retrofit of five HRM-owned buildings called the Alderney 5 complex. The 5 objectives of the demonstration project involved a district-scale cooling project; replacement of chillers with harbour cooling; and replacement of a high exergy system with a low exergy system. Synergies and challenges of the project were also identified. The presentation also referred to borehole thermal energy storage; existing Halifax Harbour cooling; Halifax Harbour temperatures; cold energy geothermal borehole field; and the benefits of advanced concentric boreholes. A project update and progress to date were also provided. The Alderney 5 project represents the first concentric borehole technology for use to store and retrieve cold energy. tabs., figs.

EPR & Klein Paradoxes in Complex Hamiltonian Dynamics and Krein Space Quantization

Science.gov (United States)

Payandeh, Farrin

2015-07-01

Negative energy states are applied in Krein space quantization approach to achieve a naturally renormalized theory. For example, this theory by taking the full set of Dirac solutions, could be able to remove the propagator Green function's divergences and automatically without any normal ordering, to vanish the expected value for vacuum state energy. However, since it is a purely mathematical theory, the results are under debate and some efforts are devoted to include more physics in the concept. Whereas Krein quantization is a pure mathematical approach, complex quantum Hamiltonian dynamics is based on strong foundations of Hamilton-Jacobi (H-J) equations and therefore on classical dynamics. Based on complex quantum Hamilton-Jacobi theory, complex spacetime is a natural consequence of including quantum effects in the relativistic mechanics, and is a bridge connecting the causality in special relativity and the non-locality in quantum mechanics, i.e. extending special relativity to the complex domain leads to relativistic quantum mechanics. So that, considering both relativistic and quantum effects, the Klein-Gordon equation could be derived as a special form of the Hamilton-Jacobi equation. Characterizing the complex time involved in an entangled energy state and writing the general form of energy considering quantum potential, two sets of positive and negative energies will be realized. The new states enable us to study the spacetime in a relativistic entangled “space-time” state leading to 12 extra wave functions than the four solutions of Dirac equation for a free particle. Arguing the entanglement of particle and antiparticle leads to a contradiction with experiments. So, in order to correct the results, along with a previous investigation [1], we realize particles and antiparticles as physical entities with positive energy instead of considering antiparticles with negative energy. As an application of modified descriptions for entangled (space

AB INITIO molecular orbital studies of some high temperature metal halide complexes

International Nuclear Information System (INIS)

Curtiss, L.A.

1978-01-01

The use of ab initio molecular orbital calculations to aid in the characterization, i.e., structures and energies, of metal halide complexes present in high temperature salt vapors has been investigated. Standard LCAO-SCF methods were used and calculations were carried out using the minimal STO-3G basis set. The complexes included in this study were Al 2 F 6 , Al 2 Cl 6 , AlF 3 NH 3 , AlCl 3 NH 3 , and AlF 3 N 2 . The Al 2 X 6 complexes are found to have D/sub 2h/ symmetry in agreement with most experimental results. A planar form was found to be considerably higher in energy. The AlX 3 NH 3 complexes are found to have C/sub 3v/ symmetry with a small barrier to rotation about the Al-N axis. The AlF 3 N 2 complex is found to be weakly bound together with a binding energy of -8.2 kcal/mole at the STO-3G level

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

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.

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.

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.

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.

Health and environmental effects of complex chemical mixtures: proceedings

Energy Technology Data Exchange (ETDEWEB)

1985-01-01

The Office of Health and Environmental Research (OHER) of the Department of Energy supports a broad long-term research program on human health and environmental effects from potential exposure to energy-related complex chemical mixtures. The program seeks basic mechanistic data on the effects of complex mixtures at the cellular, molecular, and whole animal levels to aid in predicting human health effects and seeks ecological data on biological and physical transformations in the mixtures, concentrations of the mixtures in various compartments of the environment, and potential routes for human exposure to these mixtures (e.g., food chain). On June 17-18, 1985, OHER held its First Annual Technical Meeting on the Complex Chemical Mixtures Program in Chicago, IL. The primary purpose of the meeting was to enable principal investigators to report the research status and accomplishments of ongoing complex chemical mixture studies supported by OHER. To help focus future research directions round table discussions were conducted.

Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes.

Science.gov (United States)

Dey, Arghya; Mondal, Sohidul Islam; Sen, Saumik; Ghosh, Debashree; Patwari, G Naresh

2014-12-14

The red-shifts in the acetylenic C-H stretching vibration of C-H∙∙∙X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

Institute for Sustainable Energy

Energy Technology Data Exchange (ETDEWEB)

Agrawal, Ajay [Univ. of Alabama, Tuscaloosa, AL (United States)

2016-03-28

Alternate fuels offer unique challenges and opportunities as energy source for power generation, vehicular transportation, and industrial applications. Institute for Sustainable Energy (ISE) at UA conducts innovative research to utilize the complex mix of domestically-produced alternate fuels to achieve low-emissions, high energy-efficiency, and fuel-flexibility. ISE also provides educational and advancement opportunities to students and researchers in the energy field. Basic research probing the physics and chemistry of alternative fuels has generated practical concepts investigated in a burner and engine test platforms.

Spectroscopic studies of charge transfer complexes of some amino aromatic donors with some acceptors

International Nuclear Information System (INIS)

Al-Ani, S.S.

1989-01-01

Charge transfer (C.T.) complexes are the products of the weak reversible interactions between electron donors and electron acceptors. Sixteen novel C.T. complexes were studied and discussed. These complexes were formed from aromatic electron donors with various electron acceptors in absolute ethyl alcohol at 20 0 C. Electronic absorption spectra of these complexes and their donors and acceptors were taken. New charge transfer absorption bands appeared for these complexes in the UV-VIS region. The donors used are tetramethyl diamino benzophenone, P-amino-N:N-dimethyl aniline, tetramethyl-diamino-diphenylmethane, P-amino-azobenzene and benzidine, while the acceptors are iodine, bromine, picric acid, 2,4-dinitrophenol, trifluoroacetic acid and trichloroacetic acid. The results showed a disappearance of some donors and acceptors absorption bands. The energy of C.T. bands were calculated from which the ionization potentials of donors were obtained. The results showed that energies of C.T. Bands for complexes of a given donor with a series of acceptors are very similar. Some C.T. complexes showed low value of energy and high values of electrical conductivity. These are ionic complexes rather than molecular ones. 4 tabs.; 2 figs.; 99 refs

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)

Complexes of dipolar excitons in layered quasi-two-dimensional nanostructures

Science.gov (United States)

Bondarev, Igor V.; Vladimirova, Maria R.

2018-04-01

We discuss neutral and charged complexes (biexcitons and trions) formed by indirect excitons in layered quasi-two-dimensional semiconductor heterostructures. Indirect excitons—long-lived neutral Coulomb-bound pairs of electrons and holes of different layers—have been known for semiconductor coupled quantum wells and have recently been reported for van der Waals heterostructures such as double bilayer graphene and transition-metal dichalcogenides. Using the configuration space approach, we derive the analytical expressions for the trion and biexciton binding energies as a function of interlayer distance. The method captures essential kinematics of complex formation to reveal significant binding energies, up to a few tens of meV for typical interlayer distances ˜3 -5 Å , with the trion binding energy always being greater than that of the biexciton. Our results can contribute to the understanding of more complex many-body phenomena such as exciton Bose-Einstein condensation and Wigner-like electron-hole crystallization in layered semiconductor heterostructures.

Learning energy literacy concepts from energy-efficient homes

Science.gov (United States)

Paige, Frederick Eugene

The purpose of this study is to understand ways that occupants' and visitors' interaction with energy efficient home design affects Energy Literacy. Using a case study approach including interviews, surveys, and observations, I examined the potential for affordable energy efficient homes in the Greenville South Carolina area to "teach" concepts from an Energy Literacy framework developed by dozens of educational partners and federal agencies that comprise the U.S. Global Change Research Program Partners. I paid particular attention to concepts from the framework that are transferable to energy decisions beyond a home's walls. My research reveals ways that interaction with high efficiency homes can effect understanding of the following Energy Literacy concepts: human use of energy is subject to limits and constraints, conservation is one way to manage energy resources, electricity is generated in multiple ways, social and technological innovations effect the amount of energy used by society, and energy use can be calculated and monitored. Examples from my case studies show how the at-home examples can make lessons on energy more personally relevant, easy to understand, and applicable. Specifically, I found that: • Home occupants learn the limits of energy in relation to the concrete and constricting costs associated with their consumption. • Heating and cooling techniques showcase the limits and constraints on different sources of energy. • Relatable systems make it easier to understand energy's limits and constraints. • Indistinct and distant power utilities allow consumers to overlook the root of electricity sources. • Visible examples of electricity generation systems make it clear that electricity is generated in multiple ways. • Small and interactive may mean inefficient electricity generation, but efficient energy education. • Perceptions of expense and complexity create a disconnect between residential energy consumers and renewable electricity

Compensation of coupling in the SSC complex

International Nuclear Information System (INIS)

Pilat, F.; Bourianoff, G.

1991-10-01

This paper will describe a study of the coupling effects and their compensation by means of local depending techniques for some of the accelerators in the SSC Complex. Results concerning corrections and decoupling for the Low Energy and Medium Energy Boosters will be compared to results obtained for the Collider Ring. Some preliminary experimental data about measurement of coupling quantities will also be presented

Italian energy scenarios: Markal model

International Nuclear Information System (INIS)

Gracceva, Francesco

2005-01-01

Energy scenarios carried out through formal models comply with scientific criteria such as internal coherence and transparency. Besides, Markal methodology allows a good understanding of the complex nature of the energy system. The business-as-usual scenario carried out through the Markal-Italy model shows that structural changes occurring in end-use sectors will continue to drive up energy consumption, in spite of the slow economic growth and the quite high energy prices [it

New definition of complexity for self-gravitating fluid distributions: The spherically symmetric, static case

Science.gov (United States)

Herrera, L.

2018-02-01

We put forward a new definition of complexity, for static and spherically symmetric self-gravitating systems, based on a quantity, hereafter referred to as complexity factor, that appears in the orthogonal splitting of the Riemann tensor, in the context of general relativity. We start by assuming that the homogeneous (in the energy density) fluid, with isotropic pressure is endowed with minimal complexity. For this kind of fluid distribution, the value of complexity factor is zero. So, the rationale behind our proposal for the definition of complexity factor stems from the fact that it measures the departure, in the value of the active gravitational mass (Tolman mass), with respect to its value for a zero complexity system. Such departure is produced by a specific combination of energy density inhomogeneity and pressure anisotropy. Thus, zero complexity factor may also be found in self-gravitating systems with inhomogeneous energy density and anisotropic pressure, provided the effects of these two factors, on the complexity factor, cancel each other. Some exact interior solutions to the Einstein equations satisfying the zero complexity criterium are found, and prospective applications of this newly defined concept, to the study of the structure and evolution of compact objects, are discussed.

Contractor/supplier of energy services. Liberalization of the energy market and the need for energy services

International Nuclear Information System (INIS)

Maas, J.F.M.

2002-01-01

A market for energy services is emerging. Energy suppliers and building services contractors have the same customers but have traditionally operated in different markets. The boundary between the energy and building services markets is blurred. Substantial degrees of freedom are being created for the customer in a free market. After the initial euphoria about this, there will be a realization that there are also risks, for example as a result of price fluctuations, uncertainty about supplier reliability, the effects of the rates system, complex regulation and political decision making. If people want to reduce these risks and through this make costs controllable, attention must be paid to the interdependence between aspects on the supply side, in the energy supply system and on the demand side [nl

Community energy case studies: Alderney 5 energy project, Dartmouth, NS

Energy Technology Data Exchange (ETDEWEB)

NONE

2009-05-15

In 2007, the Halifax Regional Municipality (HRM) approved the Alderney 5 energy project, an energy-efficiency retrofit of five municipal buildings on the Dartmouth, Nova Scotia, waterfront. The buildings concerned are: the Alderney landing complex, the Alderney gate office, the library, the Dartmouth ferry terminal and the old Dartmouth city hall building. The project has five major components: a mini-district-energy system of heating and cooling pipes that will connect all buildings to one central energy centre in Alderney gate; new gas conversion and high-efficiency boilers; new lighting; new seawater cooling; and an advanced coaxial energy storage system, saving $350,000 per year in energy costs. Construction, started in 2008, was funded through an innovative public private partnership between the Halifax Regional Municipality (HRM: $1 million), the federal government's technology early action measures program, and a company called High Performance Energy Systems.

Energy efficiency the definitive guide to the cheapest, cleanest, fastest source of energy

CERN Document Server

Fawkes, Steven

2013-01-01

Energy risk has reappeared on the corporate and social agenda with a bang and the complexity of the issues has increased many-fold since the days of the last great wave of concern following the oil crises of the 1970s. Steven Fawkes' Energy Efficiency is a comprehensive guide for managers and policy-makers to the fundamental questions underpinning energy-efficiency and our responses to it: ¢ what do we really mean by energy efficiency? ¢ what is the potential (in different dimensions)? ¢ why it is important? ¢ what management processes lead to optimisation of energy efficiency? ¢ what technolo

Managing the energy trilemma: The case of Indonesia

International Nuclear Information System (INIS)

Gunningham, Neil

2013-01-01

This article argues that a central challenge for energy governance is how to manage a complex ‘energy trilemma’ involving the sometimes competing demands of energy security, climate change mitigation and (particularly in developing countries) energy poverty. It suggests that tensions between the horns of the trilemma, in large part, explain Indonesia’s current, profoundly suboptimal, energy policy. While these tensions are not inherently incapable of resolution, such resolution would require good governance at both state and global levels. The possibilities for and obstacles confronting such governance are explored and provisional solutions canvassed. - Highlights: ► A challenge for energy governance is managing a complex ‘energy trilemma’. ► There are tensions between energy security, energy poverty and climate change. ► Climate change mitigation requires appropriate forms of governance. ► In developing countries these depend upon overcoming financial constraints. ► Also the expectations of electorates for cheap energy must be met

Thermal Degradation of Complexes Derived from Cu (II) Groundnut (Arachis hypogaea) and Sesame (Sesamum indicum) Soaps

Science.gov (United States)

Joram, Anju; Sharma, Rashmi; Sharma, Arun kumar

2018-05-01

The complexes have been synthesized from Cu (II) soaps of groundnut (Arachis hypogaea) and sesame (Sesamum indicum) oils, with ligand containing nitrogen and sulfur atoms like 2-amino-6-methyl benzothiazole. The complexes were greenish brown in color. In order to study TGA, first characterized them by elemental analysis, and spectroscopic technique such as IR, NMR and ESR. From the analytical data, the stoichiometry's of the complexes have been observed to be 1:1 (metal:ligand). These complexes have been thermally analyzed using TGA techniques to determine their energy of activation. These complexes show three step thermal degradation corresponding to fatty acid components of the edible oils and each complex has three decomposition steps in the range of 439-738 K. Various equations like Coats-Redfern (CR), Horowitz-Metzger (HM) and Broido equations (BE) were applied to evaluate the energy of activation. The values of energy of activation are observed to be in the following order for both copper groundnut benzothiazole (CGB) and copper sesame benzothiazole (CSeB) complexes: CGB > CSeB. CGB is observed to be more stable than CSeB due to its higher activation energy. The above studies would provide significant information regarding the applications of synthesized agrochemicals and their safe removal through parameters obtained in degradation curves and its relation with energy.

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.

Intermolecular proton transfer in anionic complexes of uracil with alcohols

International Nuclear Information System (INIS)

Haranczyk, Maciej; Rak, Janusz; Gutowski, Maciej S.; Radisic, Dunja; Stokes, Sarah T.; Bowen, Kit H.

2005-01-01

A series of eighteen alcohols (ROH) has been designed with an enthalpy of deprotonation (H DP ) in a range of 13.8-16.3 eV. The effects of excess electron attachment to the binary alcohol-uracil (ROH...U) complexes have been studied at the density functional level with a B3LYP exchange-correlation functional and at the second order Moeller-Plesset perturbation theory level. The photoelectron spectra of anionic complexes of uracil with three alcohols (ethanol, 2,2,3,3,3-pentafluoroethanol and 1,1,1,3,3,3-hexafluoro-2-propanol) have been measured with 2.54 eV photons. For ROHs with deprotonation enthalpies larger than 14.8 eV only the ROH...U - minimum exists on the potential energy surface of the anionic complex. For alcohols with deprotonation enthalpies in a range of 14.3-14.8 eV two minima might exist on the anionic potential energy surface, which correspond to the RO - ...HU . and ROH...U - structures. For ROHs with deprotonation enthalpies smaller than 14.3 eV, the excess electron attachment to the ROH...U complex always induces a barrier-free proton transfer from the hydroxyl group of ROH to the O8 atom of U, with the product being RO - ...HU . . A driving force for the intermolecular proton transfer is to stabilize the excess negative charge localized on a orbital of uracil. Therefore, these complexes with proton transferred to the anionic uracil are characterized by larger values of electron vertical detachment energy (VDE). The values of VDE for anionic complexes span a range from 1.0 to 2.3 eV and roughly correlate with the acidity of alcohols. However, there is a gap of ∼0.5 eV in the values of VDE, which separates the two families, ROH...U - and RO - ...HU . , of anionic complexes. The energy of stabilization for the anionic complexes spans a range from 0.6 to 1.7 eV and roughly correlates with the acidity of alcohols. The measured photoelectron spectra are in good agreement with the theoretical predictions

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.

Energy: life's foundation and basis of civilization; Energi : livets fundament og sivilisasjonens grunnlag

Energy Technology Data Exchange (ETDEWEB)

Johansen, Oeystein Kock

2010-07-01

This book is about the importance of energy - from the very earliest times until our own time, with a lighter look into the all-time opportunities for energy efficiency. Human production of energy is absolutely fundamental to the growth of civilization. The book provides insight into developments from simple to very complex forms of energy utilization, throughout the world. We are also introduced to the different meanings of the concept of energy, different energy sources and resources - both the imperishable, renewable and non-renewable or fossil energy resources. We also get some glimpses into bio energy opportunities, and examples of peculiar and particular forms of energy spices up the story. (Author)

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

Theoretical study of the possibility of glycin with thiotriazoline complexes formation

Directory of Open Access Journals (Sweden)

L. I. Kucherenko

2017-10-01

Full Text Available Brain strokes are widely spread all over the world and are among the most dangerous for the population. Often it leads to death, complete or partial loss of ability to work. The correction of imbalance of Excitatory and inhibitory neurotransmitter systems by activation of natural inhibitory processes is a promising direction of primary neuroprotection in cerebral ischemia. Particular attention is drawn to the natural inhibitory neurotransmitter – glycine and its role in the mechanisms of acute cerebral ischemia. There are data on the ability of the thiotriazoline antioxidant to potentiate the therapeutic effect of neurometabolic cerebroprotectors. Therefore, the creation of new combined preparation based on glycine with thiotriazoline is important today. Objective: to study the structure, and estimate the energy of formation and geometric characteristics of the intermolecular hydrogen bonds for complexes which are formed with glycine, 3-methyl-1,2,4-triazolyl-5-thioacetate (MTTA and morpholine. Method of calculation. The initial approximation to the structure of the complexes was obtained with the help of molecular docking procedure using the AutoDock Vina program. The resulting three-component complexes were preliminarily optimized by the semiempirical PM7 method, taking into account the outward influences, which was simulated by the COSMO method. The calculations were carried out using the MOPAC2012 program. The complexes were optimized using the density functional method with the empirical dispersion correction B97-D3/SVP+COSMO (Water using geometric correction for the incompleteness of the gCP basic set. A more accurate calculation of the solvation energy was carried out by SMD method. Calculations by the density functional method were carried out using the ORCA 3.0.3 program. The energy of formation of complexes in solution was calculated as the difference between the free Gibbs energies of the solvated complex and its individual solvated

Energy transfer dynamics in Light-Harvesting Dendrimers

Science.gov (United States)

Melinger, Joseph S.; McMorrow, Dale; Kleiman, Valeria D.

2002-03-01

We explore energy transfer dynamics in light-harvesting phenylacetylene symmetric and asymmetric dendrimers. Femtosecond pump-probe spectroscopy is used to probe the ultrafast dynamics of electronic excitations in these dendrimers. The backbone of the macromolecule consists of branches of increasing conjugation length, creating an energy gradient, which funnels energy to an accepting perylene trap. In the case of the symmetric dendrimer (nanostar), the energy transfer efficiency is known to approach nearly unity, although the nature and timescale of the energy transfer process is still unknown. For the asymmetric dendrimers, energy transfer efficiencies are very high, with the possibility of more complex transfer processes. We experimentally monitor the transport of excitons through the light-harvesting dendrimer. The transients show a number of components, with timescales ranging from <300fs to several tens of picoseconds, revealing the complex photophysics taking place in these macromolecules. We interpret our results in terms of the Förster mechanism in which energy transfer occurs through dipole-dipole interactions.

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

Environmental problems in the nuclear weapons complex

International Nuclear Information System (INIS)

Fultz, K.O.

1989-04-01

This paper provide the authors' views on the environmental problems facing the Department of Energy. Testimony is based on a large body of work, over 50 reports and testimonies since 1981, on environmental, safety, and health aspects of DOE's nuclear weapons complex. This work has shown that the complex faces a wide variety of serious problem areas including aging facilities, safety concerns which have shut down DOE's production reactors, and environmental cleanup

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

Global energy context: future scenarios

International Nuclear Information System (INIS)

Beretta, Gian Paolo

2006-01-01

After a brief analysis of the history of global energy consumption, this paper discusses a plausible scenario of energy needs and related carbon emissions for the rest of the century. The global outlook and the probable evolution of several factors that impact on energy policy considerations - even on the local scale - demonstrate the great complexity and planetary dimension of the problems, as well as the almost certain sterility of out-of-context domestic energy-policy measures [it

Characterization of Hydrogen Complex Formation in III-V Semiconductors

Energy Technology Data Exchange (ETDEWEB)

Williams, Michael D

2006-09-28

Atomic hydrogen has been found to react with some impurity species in semiconductors. Hydrogenation is a methodology for the introduction of atomic hydrogen into the semiconductor for the express purpose of forming complexes within the material. Efforts to develop hydrogenation as an isolation technique for AlGaAs and Si based devices failed to demonstrate its commercial viability. This was due in large measure to the low activation energies of the formed complexes. Recent studies of dopant passivation in long wavelength (0.98 - 1.55m) materials suggested that for the appropriate choice of dopants much higher activation energies can be obtained. This effort studied the formation of these complexes in InP, This material is extensively used in optoelectronics, i.e., lasers, modulators and detectors. The experimental techniques were general to the extent that the results can be applied to other areas such as sensor technology, photovoltaics and to other material systems. The activation energies for the complexes have been determined and are reported in the scientific literature. The hydrogenation process has been shown by us to have a profound effect on the electronic structure of the materials and was thoroughly investigated. The information obtained will be useful in assessing the long term reliability of device structures fabricated using this phenomenon and in determining new device functionalities.

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

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.

Level density in the complex scaling method

International Nuclear Information System (INIS)

Suzuki, Ryusuke; Kato, Kiyoshi; Myo, Takayuki

2005-01-01

It is shown that the continuum level density (CLD) at unbound energies can be calculated with the complex scaling method (CSM), in which the energy spectra of bound states, resonances and continuum states are obtained in terms of L 2 basis functions. In this method, the extended completeness relation is applied to the calculation of the Green functions, and the continuum-state part is approximately expressed in terms of discretized complex scaled continuum solutions. The obtained result is compared with the CLD calculated exactly from the scattering phase shift. The discretization in the CSM is shown to give a very good description of continuum states. We discuss how the scattering phase shifts can inversely be calculated from the discretized CLD using a basis function technique in the CSM. (author)

Criticality and Connectivity in Macromolecular Charge Complexation

Energy Technology Data Exchange (ETDEWEB)

Qin, Jian; de Pablo, Juan J.

2016-11-04

We examine the role of molecular connectivity and architecture on the complexation of ionic macromolecules (polyelectrolytes) of finite size. A unified framework is developed and applied to evaluate the electrostatic correlation free energy for point-like, rod-like, and coil-like molecules. That framework is generalized to molecules of variable fractal dimensions, including dendrimers. Analytical expressions for the free energy, correlation length, and osmotic pressure are derived, thereby enabling consideration of the effects of charge connectivity, fractal dimension, and backbone stiffness on the complexation behavior of a wide range of polyelectrolytes. Results are presented for regions in the immediate vicinity of the critical region and far from it. A transparent and explicit expression for the coexistence curve is derived in order to facilitate analysis of experimentally observed phase diagrams.

Synthesis and Reactivity of Tripodal Complexes Containing Pendant Bases

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Blacquiere, Johanna M.; Pegis, Michael L.; Raugei, Simone; Kaminsky, Werner; Forget, Amelie; Cook, Sarah; Taguchi, Taketo; Borovik, Andrew S.; Mayer, James M.

2014-09-02

The synthesis of a new tripodal ligand family is reported, with tertiary-amine groups in the second-coordination sphere. The ligands are tris(amido)amine derivatives, with the pendant amines attached via a peptide coupling strategy. They were designed to be used in new catalysts for the oxygen reduction reaction (ORR), in which the pendant acid/base group could improve catalyst performance. Two members of the new ligand family were each metallated with Co(II) and Zn(II) to afford trigonal monopyramidal complexes. Reaction of the cobalt complexes, [Co(L)]-, with dioxygen reversibly generates a small amount of a Co(III)-superoxo species, which was characterized by EPR. Protonation of the zinc complex Zn[N{CH2CH2NC(O)CH2N(CH2Ph)2}3)-– ([Zn(TNBn)]-) with one equivalent of acid occurs with displacement and dissociation of an amide ligand. Addition of excess acid to the any of the complexes [M(L)]- results in complete proteolysis and formation of the ligands H3L. This decomposition limits the use of these complexes as catalysts for the ORR. An alternative ligand with two pyridyl arms was also prepared but could not be metallated. These studies highlight the importance of stability of the primary-coordination sphere of ORR electrocatalysts to both oxidative and acidic conditions. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.