WorldWideScience

Sample records for internal molecular energy

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

    Energy Technology Data Exchange (ETDEWEB)

    Kandel, Saugat; Salomon-Ferrer, Romelia; Larsen, Adrien B.; Vaidehi, Nagarajan, E-mail: nvaidehi@coh.org [Division of Immunology, Beckman Research Institute of the City of Hope, Duarte, California 91010 (United States); Jain, Abhinandan, E-mail: Abhi.Jain@jpl.nasa.gov [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, California 91109 (United States)

    2016-01-28

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

  2. International bulletin on atomic and molecular data for fusion

    International Nuclear Information System (INIS)

    Stephens, J.A.; Bannister, M.E.; Fuhr, J.

    1999-12-01

    The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

  3. Energy transfer in diatom/diatom molecular collisions

    International Nuclear Information System (INIS)

    Sohlberg, K.W.

    1992-01-01

    In a collision of two molecules, the translational energy of the collision may be redistributed into internal energy of rotation, vibration, or electron motion, in one or both of the colliding partners. In addition, internal energy in one or more of these modes may be open-quotes quenchedclose quotes into translation, leading to a superelastic collision. Such energy transfer may take place by a number of mechanisms. This energy transfer is of fundamental importance in understanding chemical reaction dynamics. Nearly all chemical reactions take place through a bimolecular collision process (or multiple bimolecular collisions) and the quantum state specificity of the reaction can have a major role in determining the kinetics of the reaction, In particular, the author has investigated vibrational energy transfer in collisions between two diatomic molecules. In addition to serving as models for all molecular collision process, gas phase collisions of these species are ubiquitous in atmospheric phenomena which are of critical importance in answering the current questions about the human induced degradation of the earth's atmospheric. Classical trajectory methods have been used to explore the excitation of vibrations in gas-phase collisions of the nitrogen molecular ion with its parent molecule. The near symmetry of the reactants is shown to result in a high probability that the two molecules are excited by an equal amount of energy. This provides a possible explanation of the molecular beam measurements which show that the total number of vibrational energy quanta excited in the collision is, with a high probability that the two molecules are excited by an equal amount of energy. This provides a possible explanation of the molecular beam measurements which show that the total number of vibrational energy quanta excited in the collision is, with a high probability, even

  4. Molecular markers predicting radiotherapy response: Report and recommendations from an International Atomic Energy Agency technical meeting

    International Nuclear Information System (INIS)

    West, Catharine M.L.; McKay, Michael J.; Hoelscher, Tobias; Baumann, Michael; Stratford, Ian J.; Bristow, Robert G.; Iwakawa, Mayumi; Imai, Takashi; Zingde, Surekha M.; Anscher, Mitchell S.; Bourhis, Jean; Begg, Adrian C.; Haustermans, Karin; Bentzen, Soren M.; Hendry, Jolyon H.

    2005-01-01

    Purpose: There is increasing interest in radiogenomics and the characterization of molecular profiles that predict normal tissue and tumor radioresponse. A meeting in Amsterdam was organized by the International Atomic Energy Agency to discuss this topic on an international basis. Methods and Materials: This report is not completely exhaustive, but highlights some of the ongoing studies and new initiatives being carried out worldwide in the banking of tumor and normal tissue samples underpinning the development of molecular marker profiles for predicting patient response to radiotherapy. It is generally considered that these profiles will more accurately define individual or group radiosensitivities compared with the nondefinitive findings from the previous era of cellular-based techniques. However, so far there are only a few robust reports of molecular markers predicting normal tissue or tumor response. Results: Many centers in different countries have initiated tissue and tumor banks to store samples from clinical trials for future molecular profiling analysis, to identify profiles that predict for radiotherapy response. The European Society for Therapeutic Radiology and Oncology GENEtic pathways for the Prediction of the effects of Irradiation (GENEPI) project, to store, document, and analyze sample characteristics vs. response, is the most comprehensive in this regard. Conclusions: The next 5-10 years are likely to see the results of these and other correlative studies, and promising associations of profiles with response should be validated in larger definitive trials

  5. Measurement and Analysis of Rotational Energy of Nitrogen Molecular Beam by REMPI

    International Nuclear Information System (INIS)

    Mori, H.; Yamaguchi, H.; Kataoka, K.; Sugiyama, N.; Ide, K.; Niimi, T.

    2008-01-01

    Molecular beams are powerful tools for diagnoses of solid surfaces and gas-surface interaction tests. Unfortunately, there are very few reports about experimental analysis of internal energy distribution (e.g. rotational energy) of molecular beams of diatomic or polyatomic molecules, because measurement of internal energy distribution is very difficult. Spectroscopic measurement techniques based on resonantly enhanced multiphoton ionization (REMPI) is very powerful for measurement in highly rarefied gas flows. In this study, the REMPI method is applied to measurement of rotational energy distribution of nitrogen molecular beams. The REMPI spectrum of the molecular beam indicates the rotational temperature higher than the translational temperature of 7.2 K estimated by assuming isentropic flows. The O and P branches of the REMPI spectrum correspond to the rotational temperature of 30 K, but the S branch of the spectrum deviates from that at 30 K. It seems to be because the non-equilibrium rotational energy distribution of the molecular beam deviates from the Boltzmann distribution.

  6. International bulletin on atomic and molecular data for fusion. No. 59

    International Nuclear Information System (INIS)

    Stephens, J.A.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

    2001-03-01

    The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

  7. International bulletin on atomic and molecular data for fusion. No. 58

    International Nuclear Information System (INIS)

    Stephens, J.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

    2000-06-01

    The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

  8. International bulletin on atomic and molecular data for fusion. No. 52

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, J A [ed.

    1997-08-01

    This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In part 1 the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, interatomic potentials); (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions); and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). Part 2 contains the bibliographic data, essentially for the above listed topics.

  9. International bulletin on atomic and molecular data for fusion. No. 52

    International Nuclear Information System (INIS)

    Stephens, J.A.

    1997-08-01

    This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In part 1 the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, interatomic potentials); (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions); and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). Part 2 contains the bibliographic data, essentially for the above listed topics

  10. A neural network approach to the study of internal energy flow in molecular systems

    International Nuclear Information System (INIS)

    Sumpter, B.G.; Getino, C.; Noid, D.W.

    1992-01-01

    Neural networks are used to develop a new technique for efficient analysis of data obtained from molecular-dynamics calculations and is applied to the study of mode energy flow in molecular systems. The methodology is based on teaching an appropriate neural network the relationship between phase-space points along a classical trajectory and mode energies for stretch, bend, and torsion vibrations. Results are discussed for reactive and nonreactive classical trajectories of hydrogen peroxide (H 2 O 2 ) on a semiempirical potential-energy surface. The neural-network approach is shown to produce reasonably accurate values for the mode energies, with average errors between 1% and 12%, and is applicable to any region within the 24-dimensional phase space of H 2 O 2 . In addition, the generic knowledge learned by the neural network allows calculations to be made for other molecular systems. Results are discussed for a series of tetratomic molecules: H 2 X 2 , X=C, N, O, Si, S, or Se, and preliminary results are given for energy flow predictions in macromolecules

  11. International bulletin on atomic and molecular data for fusion. No. 46

    International Nuclear Information System (INIS)

    Botero, J.

    1993-06-01

    The bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In Part I the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths; transition probabilities, oscillator strengths; interatomic potentials); (ii) atomic and molecular collisions (photon collisions; electron collisions; heavy-particle collisions; homonuclear sequences; isoelectronic sequences), and (iii) surface interactions (sputtering; chemical reactions; trapping and detrapping; surface damage; blistering, flaking; secondary electron emission). Part II contains the bibliographic data for the above listed topics and for high energy laser- and beam-matter interaction; interaction of atomic particles with fields. The atomic and molecular data needs in fusion research, as identified during the IAEA Consultants' Meeting on 'Atomic and Molecular Database for Hydrogen Recycling and Helium Exhaust from Fusion Reactors', June 1992, Vienna, are listed, covering (i) atomic and molecular collision processes, (ii) particle-surface interaction processes, and (iii) the status of data bases on atomic and molecular data and plasma-surface interactions. News on the ALADDIN (A labelled Atomic Data INterface) system is provided. Finally, a list of evaluated atomic and molecular data bases is provided

  12. Electron collisions and internal excitation in stored molecular ion beams

    International Nuclear Information System (INIS)

    Buhr, H.

    2006-01-01

    In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He + 2 . The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He + 2 , which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD + is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

  13. Electron collisions and internal excitation in stored molecular ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Buhr, H.

    2006-07-26

    In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He{sup +}{sub 2}. The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He{sup +}{sub 2}, which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD{sup +} is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

  14. International bulletin on atomic and molecular data for fusion. Nos. 50-51

    International Nuclear Information System (INIS)

    Botero, J.; Stephens, J.A.

    1996-10-01

    This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In part 1 the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, polarizabilities, electric moments, interatomic potentials); (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions); and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). Part 2 contains the bibliographic data, essentially for the above listed topics

  15. International bulletin on atomic and molecular data for fusion. No. 42-45

    International Nuclear Information System (INIS)

    Botero, J.

    1991-01-01

    The bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In Part I the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths; transition probabilities, oscillator strengths; polarizabilities, electric moments; interatomic potentials); (ii) atomic and molecular collisions (photon collisions; electro collisions; heavy-particle collisions; homonuclear sequences), and (iii) surface interactions (sputtering; trapping, detrapping; adsorption, desorption; surface damage; blistering, flaking; chemical reactions). Part II contains the bibliographic data for the above listed topics and for plasma composition and impurities; plasma heating, cooling and fuelling; fusion research of general interest; high energy laser- and beam-matter interaction; interaction of atomic particles with fields. A list of evaluated data bases on atomic and molecular collisions and on particle-surface interactions is also given

  16. Internal energy deposition with silicon nanoparticle-assisted laser desorption/ionization (SPALDI) mass spectrometry

    Science.gov (United States)

    Dagan, Shai; Hua, Yimin; Boday, Dylan J.; Somogyi, Arpad; Wysocki, Ronald J.; Wysocki, Vicki H.

    2009-06-01

    The use of silicon nanoparticles for laser desorption/ionization (LDI) is a new appealing matrix-less approach for the selective and sensitive mass spectrometry of small molecules in MALDI instruments. Chemically modified silicon nanoparticles (30 nm) were previously found to require very low laser fluence in order to induce efficient LDI, which raised the question of internal energy deposition processes in that system. Here we report a comparative study of internal energy deposition from silicon nanoparticles to previously explored benzylpyridinium (BP) model compounds during LDI experiments. The internal energy deposition in silicon nanoparticle-assisted laser desorption/ionization (SPALDI) with different fluorinated linear chain modifiers (decyl, hexyl and propyl) was compared to LDI from untreated silicon nanoparticles and from the organic matrix, [alpha]-cyano-4-hydroxycinnamic acid (CHCA). The energy deposition to internal vibrational modes was evaluated by molecular ion survival curves and indicated that the ions produced by SPALDI have an internal energy threshold of 2.8-3.7 eV. This is slightly lower than the internal energy induced using the organic CHCA matrix, with similar molecular survival curves as previously reported for LDI off silicon nanowires. However, the internal energy associated with desorption/ionization from the silicon nanoparticles is significantly lower than that reported for desorption/ionization on silicon (DIOS). The measured survival yields in SPALDI gradually decrease with increasing laser fluence, contrary to reported results for silicon nanowires. The effect of modification of the silicon particle surface with semifluorinated linear chain silanes, including fluorinated decyl (C10), fluorinated hexyl (C6) and fluorinated propyl (C3) was explored too. The internal energy deposited increased with a decrease in the length of the modifier alkyl chain. Unmodified silicon particles exhibited the highest analyte internal energy

  17. The prepossession of international institutions for energy. The example International Energy Agency (IEA)

    International Nuclear Information System (INIS)

    Fell, H.J.

    2007-01-01

    In the contribution under consideration, the author reports on the fact that large international energy agencies, which are advisory active in energy questions active, affect the world-wide policy. In particular, these are the International Atomic Energy Authority in Vienna (Austria) and the International Energy Agency in Paris (France). The International Energy Agency is considered world-wide as the most important institution for all energy questions. Nearly annually, it publishes the World Energy Outlook by summarizing the most important current energy data of the world, prognoses the future power supply and makes future energy prices. The reality of the International Energy Agency looks completely differently: It performs no own sciences, but consists of statisticians, who gather only statistical data without scientific analysis. The author of this contribution summarizes the work of the International Energy Agency in three points: (a) Promotion of the interests of companies in mineral oil, natural gas, coal and atomic energy; (b) Hindering the world-wide conversion of renewable energy; (c) Endangerment of the world economy and prevention of an effective climate protection. The International Energy Agency does not justice to its own goal of a reliable, economical and pollution free power supply

  18. Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors.

    Science.gov (United States)

    Geng, Hua; Niu, Yingli; Peng, Qian; Shuai, Zhigang; Coropceanu, Veaceslav; Brédas, Jean-Luc

    2011-09-14

    Chemical substitutions are powerful molecular design tools to enhance the performance of organic semiconductors, for instance, to improve solubility, intermolecular stacking, or film quality. However, at the microscopic level, substitutions in general tend to increase the molecular reorganization energy and thus decrease the intrinsic charge-carrier mobility. Through density functional theory calculations, we elucidate strategies that could be followed to reduce the reorganization energy upon chemical substitution. Specific examples are given here for hole-transport materials including indolo-carbazoles and several triarylamine derivatives. Through decomposition of the total reorganization energy into the internal coordinate space, we are able to identify the molecular segment that provides the most important contributions to the reorganization energy. It is found that when substitution reduces (enhances) the amplitude of the relevant frontier molecular orbital in that segment, the total reorganization energy decreases (increases). In particular, chlorination at appropriate positions can significantly reduce the reorganization energy. Several other substituents are shown to play a similar role, to a greater or lesser extent. © 2011 American Institute of Physics

  19. International bulletin on atomic and molecular data for fusion. No. 54-55

    International Nuclear Information System (INIS)

    Stephens, J.A.

    1998-12-01

    This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In the first part the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, polarizabilities, electric moments, interatomic potentials), (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions), and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). There are also chapters with beam-matter interactions and data on interactions of atomic particles with fields. In the second Part contains the bibliographic data, essentially for the above listed topics

  20. International energy outlook, 2010

    Science.gov (United States)

    2010-07-01

    This report presents international energy projections through 2035, : prepared by the U.S. Energy Information Administration, including outlooks : for major energy fuels and associated carbon dioxide emissions. The International Energy Outlook 2010 (...

  1. International Journal of Molecular Science 2017 Best Paper Award.

    Science.gov (United States)

    2017-11-02

    The Editors of the International Journal of Molecular Sciences have established the Best Paper Award to recognize the most outstanding articles published in the areas of molecular biology, molecular physics and chemistry that have been published in the International Journal of Molecular Sciences. The prizes have been awarded annually since 2012 [...].

  2. Brownian diode: Molecular motor based on a semi-permeable Brownian particle with internal potential drop

    International Nuclear Information System (INIS)

    Plyukhin, A.V.

    2013-01-01

    A model of an autonomous isothermal Brownian motor with an internal propulsion mechanism is considered. The motor is a Brownian particle which is semi-transparent for molecules of surrounding ideal gas. Molecular passage through the particle is controlled by a potential similar to that in the transition rate theory, i.e. characterized by two stationary states with a finite energy difference separated by a potential barrier. The internal potential drop maintains the diode-like asymmetry of molecular fluxes through the particle, which results in the particle's stationary drift.

  3. Simulation of shock-induced energy flux in molecular solids. Revision 1

    International Nuclear Information System (INIS)

    Karo, A.M.; Walker, F.E.; DeBoni, T.M.; Hardy, J.R.

    1984-01-01

    Computer molecular dynamics has been used to study the time evolution of the energy of diatomic molecules embedded in a monatomic host lattice when the system is shock loaded. Center-of-mass, rotational, and internal energies were each monitored. For H 2 and CH groups in an iron host, the results demonstrate rapid and violent internal excitation of a totally athermal nature. The origins of this are discussed as are the reasons for the absence of a similar effect for a CH group in a carbon lattice. From these results for diatomic systems it is argued that large molecules, similarly treated, may easily be excited to the point of rupture. If they are so situated (e.g., at or near a surface) that during, or shortly after, excitation they escape from the lattice, they will rupture rather than de-excite and thus generate molecular fragments (e.g., free radicals) which could, in the case of an explosive system, serve to initiate detonation

  4. International energy annual 1996

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-02-01

    The International Energy Annual presents an overview of key international energy trends for production, consumption, imports, and exports of primary energy commodities in over 220 countries, dependencies, and areas of special sovereignty. Also included are population and gross domestic product data, as well as prices for crude oil and petroleum products in selected countries. Renewable energy reported in the International Energy Annual includes hydroelectric power, geothermal, solar, and wind electric power, biofuels energy for the US, and biofuels electric power for Brazil. New in the 1996 edition are estimates of carbon dioxide emissions from the consumption of petroleum and coal, and the consumption and flaring of natural gas. 72 tabs.

  5. Proceedings of V International Conference of Renewable Energy, Energy Saving and Energy Education. CIER 2007. International Workshop of Eolic Energy

    International Nuclear Information System (INIS)

    2007-05-01

    The CD-ROM presents papers submitted to the International Conference of Renewable Energy, Energy Saving and Energy Education. CIER 2007, held in Havana, Cuba, on May 22-25, 2007. The purpose of the CIER 2007 are to offer an opportunity to engineers, investigators, academic, makers and specialists in the energy topic from all over the world to exchange experiences, to share their successes and to discuss their focuses to future in the topic of the energy renewable, the energy saving, the energy efficiency and the energy education. The objective of the International Workshop of Eolic Energy is in advancing in the dialogue international on the systems in question and their applications around the world, you they analyzed the perspectives of possible programs of cooperation in this field and their use in Cuba

  6. International energy outlook 1996

    International Nuclear Information System (INIS)

    1996-05-01

    This International Energy Outlook presents historical data from 1970 to 1993 and EIA's projections of energy consumption and carbon emissions through 2015 for 6 country groups. Prospects for individual fuels are discussed. Summary tables of the IEO96 world energy consumption, oil production, and carbon emissions projections are provided in Appendix A. The reference case projections of total foreign energy consumption and of natural gas, coal, and renewable energy were prepared using EIA's World Energy Projection System (WEPS) model. Reference case projections of foreign oil production and consumption were prepared using the International Energy Module of the National Energy Modeling System (NEMS). Nuclear consumption projections were derived from the International Nuclear Model, PC Version (PC-INM). Alternatively, nuclear capacity projections were developed using two methods: the lower reference case projections were based on analysts' knowledge of the nuclear programs in different countries; the upper reference case was generated by the World Integrated Nuclear Evaluation System (WINES)--a demand-driven model. In addition, the NEMS Coal Export Submodule (CES) was used to derive flows in international coal trade. As noted above, foreign projections of electricity demand are now projected as part of the WEPS. 64 figs., 62 tabs

  7. International energy outlook 1996

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-05-01

    This International Energy Outlook presents historical data from 1970 to 1993 and EIA`s projections of energy consumption and carbon emissions through 2015 for 6 country groups. Prospects for individual fuels are discussed. Summary tables of the IEO96 world energy consumption, oil production, and carbon emissions projections are provided in Appendix A. The reference case projections of total foreign energy consumption and of natural gas, coal, and renewable energy were prepared using EIA`s World Energy Projection System (WEPS) model. Reference case projections of foreign oil production and consumption were prepared using the International Energy Module of the National Energy Modeling System (NEMS). Nuclear consumption projections were derived from the International Nuclear Model, PC Version (PC-INM). Alternatively, nuclear capacity projections were developed using two methods: the lower reference case projections were based on analysts` knowledge of the nuclear programs in different countries; the upper reference case was generated by the World Integrated Nuclear Evaluation System (WINES)--a demand-driven model. In addition, the NEMS Coal Export Submodule (CES) was used to derive flows in international coal trade. As noted above, foreign projections of electricity demand are now projected as part of the WEPS. 64 figs., 62 tabs.

  8. International energy outlook, 1993

    International Nuclear Information System (INIS)

    1993-01-01

    This report presents the current Energy Information Administration (EIA) assessment of the long-term outlook for international energy markets. This and other EIA reports are provided as a statistical service for use by managers and international energy analysts, not as a Government energy plan. Current US Government policies and foreign government policies are assumed to hold over the projection interval, which extends to the year 2010

  9. Nuclear energy and international cooperation

    International Nuclear Information System (INIS)

    Oshima, Keiichi

    1981-01-01

    There is no need to emphasize that nuclear energy cannot be developed without international cooperation at either the industrial or the academic level. In the meanwhile, there have been some marked political, economic and social changes in recent years which are posing constraints to the international cooperation in nuclear energy. The problems and constraints impeding nuclear power programs cannot be overcome by only one nation; international cooperation with common efforts to solve the problems is essential. Nuclear energy is different from fossil energy resources in that it is highly technology-intensive while others are resource-intensive. International cooperation in technology has an entirely different importance in the field of nuclear energy. Educational institutions will play a role in a new era of the international cooperation. (Mori, K.)

  10. Northeast International Committee on Energy. Comite international du nord-est sur l'energie

    Energy Technology Data Exchange (ETDEWEB)

    1989-01-01

    The annual Conference of the New England Governors and Eastern Canadian Premiers was established in 1973 to deal with such common questions as energy, agriculture, transportation, tourism, economic development, and the environment. As a result of this conference, the Northeast International Committee on Energy was established in 1978. This annual report gives a summary of the year's activities, which included an international roundtable on energy choices and the environment, energy education, and a compendium of biomass facilities. New activities to be undertaken in the coming year include the convening of an international roundtable on energy in the spring of 1990 in Halifax, Nova Scotia; a review of recycling efforts in the region; and a review of regulatory procedures at the national, state and provincial levels for across-the-border energy transactions.

  11. International energy annual 1997

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-04-01

    The International Energy Annual presents an overview of key international energy trends for production, consumption, imports, and exports of primary energy commodities in over 220 countries, dependencies, and areas of special sovereignty. Also included are population and gross domestic product data, as well as prices for crude oil and petroleum products in selected countries. Renewable energy reported in the International Energy Annual includes hydroelectric power and geothermal, solar, and wind electric power. Also included are biomass electric power for Brazil and the US, and biomass, geothermal, and solar energy produced in the US and not used for electricity generation. This report is published to keep the public and other interested parties fully informed of primary energy supplies on a global basis. The data presented have been largely derived from published sources. The data have been converted to units of measurement and thermal values (Appendices E and F) familiar to the American public. 93 tabs.

  12. Mean excitation energies for molecular ions

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, Phillip W.K.; Sauer, Stephan P.A. [Department of Chemistry, University of Copenhagen, Copenhagen (Denmark); Oddershede, Jens [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States); Sabin, John R., E-mail: sabin@qtp.ufl.edu [Department of Physics, Chemistry, and Pharmacy, University of Southern Denmark, Odense (Denmark); Quantum Theory Project, Departments of Physics and Chemistry, University of Florida, Gainesville, FL (United States)

    2017-03-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.

  13. International Energy: Subject Thesaurus. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    1993-11-01

    The International Energy Agency: Subject Thesaurus contains the standard vocabulary of indexing terms (descriptors) developed and structured to build and maintain energy information databases. Involved in this cooperative task are (1) the technical staff of the USDOE Office of Scientific and Technical Information (OSTI) in cooperation with the member countries of the International Energy Agency`s Energy Technology Data Exchange (ETDE) and (2) the International Atomic Energy Agency`s International Nuclear Information System (INIS) staff representing the more than 100 countries and organizations that record and index information for the international nuclear information community. ETDE member countries are also members of INIS. Nuclear information prepared for INIS by ETDE member countries is included in the ETDE Energy Database, which contains the online equivalent of the printed INIS Atomindex. Indexing terminology is therefore cooperatively standardized for use in both information systems. This structured vocabulary reflects thscope of international energy research, development, and technological programs. The terminology of this thesaurus aids in subject searching on commercial systems, such as ``Energy Science & Technology`` by DIALOG Information Services, ``Energy`` by STN International and the ``ETDE Energy Database`` by SilverPlatter. It is also the thesaurus for the Integrated Technical Information System (ITIS) online databases of the US Department of Energy.

  14. Low Molecular Weight Norbornadiene Derivatives for Molecular Solar-Thermal Energy Storage.

    Science.gov (United States)

    Quant, Maria; Lennartson, Anders; Dreos, Ambra; Kuisma, Mikael; Erhart, Paul; Börjesson, Karl; Moth-Poulsen, Kasper

    2016-09-05

    Molecular solar-thermal energy storage systems are based on molecular switches that reversibly convert solar energy into chemical energy. Herein, we report the synthesis, characterization, and computational evaluation of a series of low molecular weight (193-260 g mol(-1) ) norbornadiene-quadricyclane systems. The molecules feature cyano acceptor and ethynyl-substituted aromatic donor groups, leading to a good match with solar irradiation, quantitative photo-thermal conversion between the norbornadiene and quadricyclane, as well as high energy storage densities (396-629 kJ kg(-1) ). The spectroscopic properties and energy storage capability have been further evaluated through density functional theory calculations, which indicate that the ethynyl moiety plays a critical role in obtaining the high oscillator strengths seen for these molecules. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  15. Challenges and opportunities in international molecular cancer prevention research: An ASPO Molecular Epidemiology and the Environment and International Cancer Prevention Interest Groups Report.

    Science.gov (United States)

    Epplein, Meira; Bostick, Roberd M; Mu, Lina; Ogino, Shuji; Braithwaite, Dejana; Kanetsky, Peter A

    2014-11-01

    The International Agency for Research on Cancer estimates that over half of the new cancer cases and almost two-thirds of the cancer deaths in 2012 occurred in low and middle income countries. To discuss the challenges and opportunities to reducing the burden of cancer worldwide, the Molecular Epidemiology and the Environment and the International Issues in Cancer Special Interest Groups joined forces to hold a session during the 38th Annual Meeting of the American Society of Preventive Oncology (March 2014, Arlington, Virginia). The session highlighted three topics of particular interest to molecular cancer prevention researchers working internationally, specifically: 1) biomarkers in cancer research; 2) environmental exposures and cancer; and 3) molecular pathological epidemiology. A major factor for successful collaboration illuminated during the discussion was the need for strong, committed, and reliable international partners. A key element of establishing such relationships is to thoroughly involve individual international collaborators in the development of the research question; engaged international collaborators are particularly motivated to champion and shepherd the project through all necessary steps, including issues relating to institutional review boards, political sensitivity, laboratory-based assays, and tumor subtyping. Also essential is allotting time for the building, maintaining, and investing in such relationships so that successful international collaborations may take root and bloom. While there are many challenges inherent to international molecular cancer research, the opportunities for furthering the science and prevention of cancer worldwide are great, particularly at this time of increasing cancer incidence and prevalence in low and middle income countries. ©2014 American Association for Cancer Research.

  16. International energy outlook, 1992

    International Nuclear Information System (INIS)

    1992-01-01

    This report presents the current Energy Information Administration (EIA) assessment of the long-term outlook for international energy markets. The historic political and economic changes occurring in Easter Europe and the former Soviet Union will, no doubt, transform regional markets and world trade. This report pays particular attention to energy markets and resources in those countries that were once a part of the Centrally Planned Economies (CPE's) and how prospective changes in these countries might influence the energy outlook for the rest of the world. Several major EIA estimates determine, in large part, the resulting energy projections presented here. These include estimates of the energy intensity of economic activity; oil and natural gas production capacities; nuclear and hydroelectric generation capacities; international coal trade; and the rate of incremental energy requirements met by alternatives to oil

  17. Visualizing Energy on Target: Molecular Dynamics Simulations

    Science.gov (United States)

    2017-12-01

    ARL-TR-8234 ● DEC 2017 US Army Research Laboratory Visualizing Energy on Target: Molecular Dynamics Simulations by DeCarlos E...return it to the originator. ARL-TR-8234● DEC 2017 US Army Research Laboratory Visualizing Energy on Target: Molecular Dynamics...REPORT TYPE Technical Report 3. DATES COVERED (From - To) 1 October 2015–30 September 2016 4. TITLE AND SUBTITLE Visualizing Energy on Target

  18. Energy - politics - history. National and international energy politics since 1945

    International Nuclear Information System (INIS)

    Hohensee, J.; Salewski, M.

    1993-01-01

    All articles focus on historical aspects of the development of energy politics in the Federal Republic of Germany (energy enconomy and industry, hard coal, nuclear energy). Some articles also look at international developments (oil boycott, Saudia Arabias's oil policies, International Energy Agency). (UA) [de

  19. International energy-promotion-activities

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-09-01

    Comprehensive promotion of energy and environmental measures are demanded in order to realize improvement in energy demand/supply structures in developing countries where increase in energy demand is anticipated. To achieve this goal, technical transfer related to energy saving technologies and clean coal as well as international energy promotion activities are implemented in China and Indonesia since fiscal 1993. In the field of energy saving, model operations are performed to improve efficiency in such energy consuming fields as steel making, power generation, and oil refining, in addition to cooperation in structuring databases and establishing master plans. In the clean coal field, model operations are conducted to reduce environmental load in coal utilizing areas, in addition to cooperation in establishing master plans for coal utilization. This paper describes feasibility studies on environmentally harmonious coal utilization systems in developing countries, assistance to introduction thereof, and joint verification operations. To rationalize international energy usage, basic surveys on energy utilization efficiency improvement and model operations are carried out mainly in the Asia-Pacific countries.

  20. Conserving Coherence and Storing Energy during Internal Conversion: Photoinduced Dynamics of cis- and trans-Azobenzene Radical Cations

    KAUST Repository

    Munkerup, Kristin

    2017-10-24

    Light harvesting via energy storage in azobenzene has been a key topic for decades, and the process of energy distribution over the molecular degrees of freedom following photoexcitation remains to be understood. Dynamics of a photoexcited system can exhibit high degrees of non-ergodicity when it is driven by just a few degrees of freedom. Typically, an internal conversion leads to the loss of such localization of dynamics, as the intramolecular energy becomes statistically redistributed over all molecular degrees of freedom. Here, we present a unique case where the excitation energy remains localized even subsequent to internal conversion. Strong-field ionization is used to prepare cis- and trans-azobenzene radical cations on the D1 surface with little excess energy, at the equilibrium neutral geometry. These D1 ions are preferably formed because in this case D1 and D0 switch place in the presence of the strong laser field. The post-ionization dynamics is dictated by the potential energy landscape. The D1 surface is steep downhill along the cis/trans isomerization coordinate and towards a common minimum shared by the two isomers in the region of D1/D0 conical intersection. Coherent cis/trans torsional motion along this coordinate is manifested in the ion transients by a cosine modulation. In this scenario, D0 becomes populated with molecules that are energized mainly along the cis-trans isomerization coordinate, with the kinetic energy above the cis-trans inter-conversion barrier. These activated azobenzene molecules easily cycle back and forth along the D0 surface, and give rise to several periods of modulated signal before coherence is lost. This persistent localization of the internal energy during internal conversion is provided by the steep downhill potential energy surface, small initial internal energy content, and a strong hole-lone pair interaction that drives the molecule along the cis-trans isomerization coordinate to facilitate the transition between

  1. Mean excitation energies for molecular ions

    DEFF Research Database (Denmark)

    Jensen, Phillip W.K.; Sauer, Stephan P.A.; Oddershede, Jens

    2017-01-01

    The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase...

  2. Photon Upconversion and Molecular Solar Energy Storage by Maximizing the Potential of Molecular Self-Assembly.

    Science.gov (United States)

    Kimizuka, Nobuo; Yanai, Nobuhiro; Morikawa, Masa-Aki

    2016-11-29

    The self-assembly of functional molecules into ordered molecular assemblies and the fulfillment of potentials unique to their nanotomesoscopic structures have been one of the central challenges in chemistry. This Feature Article provides an overview of recent progress in the field of molecular self-assembly with the focus on the triplet-triplet annihilation-based photon upconversion (TTA-UC) and supramolecular storage of photon energy. On the basis of the integration of molecular self-assembly and photon energy harvesting, triplet energy migration-based TTA-UC has been achieved in varied molecular systems. Interestingly, some molecular self-assemblies dispersed in solution or organogels revealed oxygen barrier properties, which allowed TTA-UC even under aerated conditions. The elements of molecular self-assembly were also introduced to the field of molecular solar thermal fuel, where reversible photoliquefaction of ionic crystals to ionic liquids was found to double the molecular storage capacity with the simultaneous pursuit of switching ionic conductivity. A future prospect in terms of innovating molecular self-assembly toward molecular systems chemistry is also discussed.

  3. Intergovernmental organisation activities: European Atomic Energy Community, International Atomic Energy Agency, OECD Nuclear Energy Agency

    International Nuclear Information System (INIS)

    Anon.

    2012-01-01

    European Atomic Energy Community: Proposed legislative instruments, Adopted legislative instruments, Non-legislative instruments, Other activities (meetings). International Atomic Energy Agency: IAEA Action Plan on Nuclear Safety. OECD Nuclear Energy Agency: The Russian Federation to join the OECD Nuclear Energy Agency; Participation by the regulatory authorities of India and the United Arab Emirates in the Multinational Design Evaluation Programme (MDEP); NEA International Workshop on Crisis Communication, 9-10 May 2012; International School of Nuclear Law: 2013; Next NEA International Nuclear Law Essentials Course

  4. Molecularly Engineered Energy Materials, an Energy Frontier Research Center

    Energy Technology Data Exchange (ETDEWEB)

    Ozolins, Vidvuds [Univ. of California, Los Angeles, CA (United States). Materials Science and Engineering Dept.

    2016-09-28

    Molecularly Engineered Energy Materials (MEEM) was established as an interdisciplinary cutting-edge UCLA-based research center uniquely equipped to attack the challenge of rationally designing, synthesizing and testing revolutionary new energy materials. Our mission was to achieve transformational improvements in the performance of materials via controlling the nano-and mesoscale structure using selectively designed, earth-abundant, inexpensive molecular building blocks. MEEM has focused on materials that are inherently abundant, can be easily assembled from intelligently designed building blocks (molecules, nanoparticles), and have the potential to deliver transformative economic benefits in comparison with the current crystalline-and polycrystalline-based energy technologies. MEEM addressed basic science issues related to the fundamental mechanisms of carrier generation, energy conversion, as well as transport and storage of charge and mass in tunable, architectonically complex materials. Fundamental understanding of these processes will enable rational design, efficient synthesis and effective deployment of novel three-dimensional material architectures for energy applications. Three interrelated research directions were initially identified where these novel architectures hold great promise for high-reward research: solar energy generation, electrochemical energy storage, and materials for CO2 capture. Of these, the first two remained throughout the project performance period, while carbon capture was been phased out in consultation and with approval from BES program manager.

  5. International bulletin on atomic and molecular data for fusion. No. 66, August 2007

    International Nuclear Information System (INIS)

    Humbert, D.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

    2007-08-01

    Information in this Bulletin is presented in four parts. The Atomic and Molecular Data Information System (AMDIS) of the International Atomic Energy Agency is presented in Part 1. The indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions in Part 2. The structure and spectra indexation lines are grouped by process. The first column gives the process, the second one the reactants and then the character of the data contained (Th for theoretical, Ex for experimental, and E/T for both experimental and theoretical). The number in the last column is the reference number in Part 3 of the Bulletin. The atomic and molecular indexation lines are grouped by one collision partner (photon, electron or heavy particle). The first column gives the reactants, the second column gives the process, the third column gives the energy range with the appropriate units, and the last two columns are the same as in the structure and spectra indexation lines. The particle-surface interactions indexation lines are grouped by process. The first column gives the reactants, the second the energy range with the appropriate units, and the last two columns are the same as in the previous cases. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Those references which are indexed in Part 1 are identified by the repeated indexation lines. The Author Index (Part 4) refers to the bibliographic references contained in Part 3

  6. International bulletin on atomic and molecular data for fusion. No. 68, December 2009

    International Nuclear Information System (INIS)

    Chung, H.K.; Humbert, D.

    2009-12-01

    Information in this Bulletin is presented in four parts. The Atomic and Molecular Data Information System (AMDIS) of the International Atomic Energy Agency is presented in Part 1. The indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions in Part 2. The structure and spectra index lines are grouped by process. The first column gives the reactants, the second one the process and then the character of the data contained (Th for theoretical, Ex for experimental, and E/T for both experimental and theoretical). The number in the last column is the reference number in Part 3 of the Bulletin. The atomic and molecular index lines are grouped by one collision partner (photon, electron or heavy particle). The first column gives the reactants, the second column gives the process, the third column gives the energy range with the appropriate units, and the last two columns are the same as in the structure and spectra index lines. The particle-surface interactions index lines are grouped by process. The first column gives the reactants, the second the energy range with the appropriate units, and the last two columns are the same as in the previous cases. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Those references which are indexed in Part 1 are identified by the repeated index lines. The Author Index (Part 4) refers to the bibliographic references contained in Part 3

  7. International Bulletin on Atomic and Molecular Data for Fusion. No. 67, December 2008

    International Nuclear Information System (INIS)

    Humbert, D.

    2008-12-01

    Information in this Bulletin is presented in four parts. The Atomic and Molecular Data Information System (AMDIS) of the International Atomic Energy Agency is presented in Part 1. The indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions in Part 2. The structure and spectra indexation lines are grouped by process. The first column gives the process, the second one the reactants and then the character of the data contained (Th for theoretical, Ex for experimental, and E/T for both experimental and theoretical). The number in the last column is the reference number in Part 3 of the Bulletin. The atomic and molecular indexation lines are grouped by one collision partner (photon, electron or heavy particle). The first column gives the reactants, the second column gives the process, the third column gives the energy range with the appropriate units, and the last two columns are the same as in the structure and spectra indexation lines. The particle-surface interactions indexation lines are grouped by process. The first column gives the reactants, the second the energy range with the appropriate units, and the last two columns are the same as in the previous cases. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Those references which are indexed in Part 1 are identified by the repeated indexation lines. The Author Index (Part 4) refers to the bibliographic references contained in Part 3.

  8. Selected materials of the international workshop on radiation risk and its origin at molecular and cellular level

    International Nuclear Information System (INIS)

    Pinak, Miroslav

    2003-11-01

    The workshop ''International Workshop on Radiation Risk and its Origin at Molecular and Cellular Level'' was held at The Tokai Research Establishment, Japan Atomic Energy Research Institute, on the 6th and 7th of February 2003. The Laboratory of Radiation Risk Analysis of JAERI organized it. This international workshop attracted scientists from several different scientific areas, including radiation physics, radiation biology, molecular biology, crystallography of biomolecules, modeling and bio-informatics. Several foreign and domestic keynote speakers addresses the very fundamental areas of radiation risk and tried to establish a link between the fundamental studies at the molecular and cellular level and radiation damages at the organism. The symposium consisted of 13 oral lectures, 10 poster presentations and panel discussion. The 108 participants attended the workshop. This publication comprises of proceedings of oral and poster presentations where available. For the rest of contributions the abstracts or/and selections of presentation materials are shown instead. The 5 papers are indexed individually. (J.P.N.)

  9. International bilateral and multilateral arrangements in energy technologies

    International Nuclear Information System (INIS)

    1978-07-01

    This document, the second report in the series, outlines current DOE international commitments under bilateral and multilateral arrangements, as of January 1, 1978. Included are bilateral agreements for cooperation in the civil uses of atomic energy with countries and international organizations, bilateral and multilateral technical exchanges in all energy technology areas, and multilateral agreements under the auspices of the International Energy Agency (IEA). In addition to outlining the terms, scope, and status of these agreements, this document describes DOE's participation in the work of the major international energy organizations. IEA, the International Atomic Energy Agency (IAEA), and the Nuclear Energy Agency (NEA). Future reports will update the status of ongoing cooperative projects and provide information on new energy R and D activities

  10. Molecular phylogeny of Ranunculaceae based on internal ...

    African Journals Online (AJOL)

    The botanical family Ranunculaceae contains important medicinal plants. To obtain new evolutionary evidence regarding the systematic classification of Ranunculaceae plants, we used molecular phylogenies to test relationships based on the internal transcribed spacer region. The results of phylogenetic analysis of 92 ...

  11. Proceedings of VIII International Conference for Renewable Energy, Energy Saving and Energy Education (CIER 2015)

    International Nuclear Information System (INIS)

    2015-01-01

    Several workshops were carried out within the framework of the conference for example 4th International Wind Energy Workshop, 2nd International Workshop of Hydrogen as an alternative fuel, 1st International Workshop of Photovoltaic Solar Energy. It was an excellent occasion to share experiences and promote synergies oriented towards the challenge of achieving a sustainable energy culture.

  12. International energy financing

    International Nuclear Information System (INIS)

    Vedavalli, Rangaswamy

    1994-01-01

    Some of the innovative financing options being considered by developing countries and economies in transition as ways of mobilizing international energy financing are discussed. Build-Own-Operate (BOO) and Transfer (BOOT) is the most commonly adopted approach. This involves limited resource financing of a project on the basis of the associated cash flow and risks and not on the credit of the project owners. The World Bank has set up the Multilateral Investment Guarantee Agency to provide, on a fee basis, guarantees against certain non-commercial forms of risk in order to promote international capital flow to developing countries. In 1989, the World Bank introduced the Expanded Co-financing Operations (ECO) programme as an instrument to catalyze the flow of private finance into developing countries and to improve their access to international financial markets. Other financial instruments currently being established include: leasing of equipment or whole plants by foreign investors; private ownership or operation of generation and distribution facilities; exchange of specific export goods for energy imports; developing instruments to finance local costs; revenue bonds; tax-exempt bonds; sale of electricity futures to those seeking more stable, longer term electricity price contracts. (UK)

  13. International energy: Research organizations, 1986--1990

    Energy Technology Data Exchange (ETDEWEB)

    Hendricks, P.; Jordan, S. (eds.) (USDOE Office of Scientific and Technical Information, Oak Ridge, TN (USA))

    1991-03-01

    The International Energy: Research Organizations publication contains the standardized names of energy research organizations used in energy information databases. Involved in this cooperative task are (1) the technical staff of the USDOE Office of Scientific and Technical Information (OSTI) in cooperation with the member countries of the Energy Technology Data Exchange (ETDE) and (2) the International Nuclear Information System (INIS). This publication identifies current organizations doing research in all energy fields, standardizes the format for recording these organization names in bibliographic citations, assigns a numeric code to facilitate data entry, and identifies report number prefixes assigned by these organizations. These research organization names may be used in searching the databases Energy Science Technology'' on DIALOG and Energy'' on STN International. These organization names are also used in USDOE databases on the Integrated Technical Information System. Research organizations active in the past five years, as indicated by database records, were identified to form this publication. This directory includes approximately 34,000 organizations that reported energy-related literature from 1986 to 1990 and updates the DOE Energy Data Base: Corporate Author Entries.

  14. Resonance Energy Transfer Molecular Imaging Application in Biomedicine

    Directory of Open Access Journals (Sweden)

    NIE Da-hong1,2;TANG Gang-hua1,3

    2016-11-01

    Full Text Available Resonance energy transfer molecular imaging (RETI can markedly improve signal intensity and tissue penetrating capacity of optical imaging, and have huge potential application in the deep-tissue optical imaging in vivo. Resonance energy transfer (RET is an energy transition from the donor to an acceptor that is in close proximity, including non-radiative resonance energy transfer and radiative resonance energy transfer. RETI is an optical imaging technology that is based on RET. RETI mainly contains fluorescence resonance energy transfer imaging (FRETI, bioluminescence resonance energy transfer imaging (BRETI, chemiluminescence resonance energy transfer imaging (CRETI, and radiative resonance energy transfer imaging (RRETI. RETI is the hot field of molecular imaging research and has been widely used in the fields of biology and medicine. This review mainly focuses on RETI principle and application in biomedicine.

  15. Energy supply, nuclear power, and the international energy situation

    International Nuclear Information System (INIS)

    Pierer, H. von

    1991-01-01

    The Chernobyl accident has greatly intensified the readiness for international cooperation on problems of reactor safety and for exchanges of operating experience. That accident was more than a regional event. If all psychological and political consequences are taken into account, its international significance is apparent. In principle, it demonstrated not the lack of safety of nuclear power plants generally, but rather that of the Soviet RBMK reactor line, which would not have been licensed in any Western country because of its inherent unsafety. In the long run, the worldwide acceptance of nuclear power can be regained and stabilized only by an open dialog and by international exchanges of experience. The pronounced growth of the world's population requires energy policy to think beyond national frontiers. The rising energy requirement permits of no other decision than to exploit all technically feasible and economically viable as well as ecologically tolerable sources of energy. This includes nuclear power as well as solar energy. (orig.) [de

  16. International nuclear energy law - present and future

    International Nuclear Information System (INIS)

    Barrie, G.N.

    1988-01-01

    International nuclear energy law, as discussed in this article, is the law relating to the global, peaceful uses of nuclear science and technology. The position of nuclear law in the wide realm of law itself as well as the present status of nuclear legislation is assessed. This article also covers the development of international nuclear energy law, from the first nuclear law - the New Zealand Atomic Energy Act of 1945-, the present and the future. National and international organizations concerned with nuclear energy and their contribribution to nuclear law are reviewed

  17. International entrepreneurship within offshore renewable energy

    International Nuclear Information System (INIS)

    Loevdal, Nicolai S.

    2011-01-01

    The climate is changing, the worlds known fossil energy reserves are limited, and most economies are struggling to get out of a financial crisis. The UNs Intergovernmental Panel on Climate Change calls for new technologies, rapid commercialization, and rapid international diffusion as important tools to mitigate the climate change (IPCC 2007). Nations all over the world have allocated large funds to facilitate the development of renewable energy technologies and markets to secure the future supply of energy and to sustain economic growth (REN21 2009). Use of fossil fuel is the main source of humans contribution to global warming. At the same time, fossil fuel is probably the most important resource for economic development on a global scale (IEA 2009). With this as a backdrop, the objective of this PhD thesis is to investigate how technology-based companies act to commercialize and internationally diffuse technologies that may produce abundant clean, renewable energy. More specifically, I have assessed the emerging offshore renewable energy industries (offshore wind, wave, and tidal energy) as case industries to make the International Entrepreneurship literature more relevant for the current situation. The findings reveal extensive international activities at both the company level and industry level, even in phases in which the firms have yet to commercialize and industries have yet to enter the growth phase. These findings demand significant updates to theoretical models and convey several recommendations to mangers, investors, and policy makers. Managers should be aware of and master the new opportunities/threats identified. For investors, the findings provide implications for their valuation of new ventures. For policy makers, the findings open up a new landscape of political threats and opportunities as the battle to attract promising industries has begun earlier than previously prescribed. Four research questions have resulted in four papers that constitute

  18. International entrepreneurship within offshore renewable energy

    Energy Technology Data Exchange (ETDEWEB)

    Loevdal, Nicolai S.

    2011-07-01

    The climate is changing, the worlds known fossil energy reserves are limited, and most economies are struggling to get out of a financial crisis. The UNs Intergovernmental Panel on Climate Change calls for new technologies, rapid commercialization, and rapid international diffusion as important tools to mitigate the climate change (IPCC 2007). Nations all over the world have allocated large funds to facilitate the development of renewable energy technologies and markets to secure the future supply of energy and to sustain economic growth (REN21 2009). Use of fossil fuel is the main source of humans contribution to global warming. At the same time, fossil fuel is probably the most important resource for economic development on a global scale (IEA 2009). With this as a backdrop, the objective of this PhD thesis is to investigate how technology-based companies act to commercialize and internationally diffuse technologies that may produce abundant clean, renewable energy. More specifically, I have assessed the emerging offshore renewable energy industries (offshore wind, wave, and tidal energy) as case industries to make the International Entrepreneurship literature more relevant for the current situation. The findings reveal extensive international activities at both the company level and industry level, even in phases in which the firms have yet to commercialize and industries have yet to enter the growth phase. These findings demand significant updates to theoretical models and convey several recommendations to mangers, investors, and policy makers. Managers should be aware of and master the new opportunities/threats identified. For investors, the findings provide implications for their valuation of new ventures. For policy makers, the findings open up a new landscape of political threats and opportunities as the battle to attract promising industries has begun earlier than previously prescribed. Four research questions have resulted in four papers that constitute

  19. International energy outlook 1998

    International Nuclear Information System (INIS)

    1998-04-01

    The International Energy Outlook 1998 (IEO98) presents an assessment by the Energy Information Administration (EIA) of the outlook for international energy markets through 2020. Projections in IEO98 are displaced according to six basic country groupings. The industrialized region includes projections for four individual countries -- the United States, Canada, Mexico, and Japan -- along with the subgroups Western Europe and Australasia (defined as Australia, New Zealand, and the US Territories). The developing countries are represented by four separate regional subgroups: developing Asia, Africa, Middle East, and Central and South America. China and India are represented in developing Asia. New to this year's report, country-level projections are provided for Brazil -- which is represented in Central and South America. Eastern Europe and the former Soviet Union (EE/FSU) are considered as a separate country grouping. The report begins with a review of world trends in energy demand. Regional consumption projections for oil, natural gas, coal, nuclear power, and renewable energy (hydroelectricity, geothermal, wind, solar, and other renewables) are presented in five fuel chapters, with a review of the current status of each fuel on a worldwide basis. Summary tables of the IEO98 projections for world energy consumption, carbon emissions, oil production, and nuclear power generating capacity are provided in Appendix A. 88 figs., 77 tabs

  20. Formation of H{sub 2} from internally heated polycyclic aromatic hydrocarbons: Excitation energy dependence

    Energy Technology Data Exchange (ETDEWEB)

    Chen, T., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se; Gatchell, M.; Stockett, M. H.; Schmidt, H. T.; Cederquist, H.; Zettergren, H., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Delaunay, R.; Rousseau, P.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Université de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Domaracka, A.; Huber, B. A. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Micelotta, E. R. [Université Paris Sud, Institut d’Astrophysique Spatiale, UMR 8617, 91405 Orsay (France); Tielens, A. G. G. M. [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands)

    2015-04-14

    We have investigated the effectiveness of molecular hydrogen (H{sub 2}) formation from Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV ions. The present and earlier experimental results are analyzed in view of molecular structure calculations and a simple collision model. We estimate that H{sub 2} formation becomes important for internal PAH temperatures exceeding about 2200 K, regardless of the PAH size and the excitation agent. This suggests that keV ions may effectively induce such reactions, while they are unlikely due to, e.g., absorption of single photons with energies below the Lyman limit. The present analysis also suggests that H{sub 2} emission is correlated with multi-fragmentation processes, which means that the [PAH-2H]{sup +} peak intensities in the mass spectra may not be used for estimating H{sub 2}-formation rates.

  1. Molecular approaches to solar energy conversion: the energetic cost of charge separation from molecular-excited states.

    Science.gov (United States)

    Durrant, James R

    2013-08-13

    This review starts with a brief overview of the technological potential of molecular-based solar cell technologies. It then goes on to focus on the core scientific challenge associated with using molecular light-absorbing materials for solar energy conversion, namely the separation of short-lived, molecular-excited states into sufficiently long-lived, energetic, separated charges capable of generating an external photocurrent. Comparisons are made between different molecular-based solar cell technologies, with particular focus on the function of dye-sensitized photoelectrochemical solar cells as well as parallels with the function of photosynthetic reaction centres. The core theme of this review is that generating charge carriers with sufficient lifetime and a high quantum yield from molecular-excited states comes at a significant energetic cost-such that the energy stored in these charge-separated states is typically substantially less than the energy of the initially generated excited state. The role of this energetic loss in limiting the efficiency of solar energy conversion by such devices is emphasized, and strategies to minimize this energy loss are compared and contrasted.

  2. Energy Prices and Internal Costs in Croatian Energy System Restructuring

    International Nuclear Information System (INIS)

    Potocnik, V. , Magdic, M.

    1995-01-01

    After social and political changes in 1990, energy prices in Croatia have been getting closer to the West European averages, faster than in the most European countries in transition. The energy prices for industry are almost at the West European level, while the energy prices of electricity and natural gas for households and those of the gasoline are well behind. If the population purchasing power parity (PPP) is taken into account, these relations change. While the internalization of external energy costs is under way in the developed world, it has not practically started yet in Croatia. The Croatian energy system restructuring shall require gradual adjustment of energy prices, together with multistage internalization of external energy costs. (author). 6 refs., 3 tabs., 2 figs

  3. DTU International Energy Report 2012: Energy efficiency improvements

    DEFF Research Database (Denmark)

    Increased energy efficiency can reduce global CO2 emissions over the period to 2050 with up to 25%. On the top of that large profits can be gained for very little investment. Energy efficiency improvements can save investment in new energy infrastructure, cut fuel costs, increase competitiveness...... and increase consumer welfare. Thus, it is natural for DTU International Energy Report 2012 to take up this issue and analyze the global, regional and national challenges in exploiting energy efficiency and promote research and development in energy efficiency....

  4. The International Energy Agency collaboration in wind energy

    International Nuclear Information System (INIS)

    Beurskens, H.J.M.; Pershagen, B.

    1991-07-01

    The International Energy Agency (IEA) wind energy agreements have provided a useful framework for international cooperative efforts during more than thirteen years. Nine comprehensive research Tasks have been successfully completed and three Tasks are currently in progress. The sharing of research and information has clearly contributed to the development of wind technology, has eliminated unnecessary redundancy in national programmes, has encouraged utilization of the most efficient approaches to solve common problems, and has created a cooperative spirit among the professional groups that seems to be unique. After a brief introduction on the activities of the IEA on wind energy an overview is given of the ongoing tasks and other current activities with regard to the subject. 1 fig., 5 tabs., 9 refs

  5. SGS Modeling of the Internal Energy Equation in LES of Supersonic Channel Flow

    Science.gov (United States)

    Raghunath, Sriram; Brereton, Giles

    2011-11-01

    DNS of fully-developed turbulent supersonic channel flows (Reτ = 190) at up to Mach 3 indicate that the turbulent heat fluxes depend only weakly on Mach number, while the viscous dissipation and pressure dilatation do so strongly. Moreover, pressure dilatation makes a significant contribution to the internal energy budget at Mach 3 and higher. The balance between these terms is critical to determining the temperature (and so molecular viscosity) from the internal energy equation and so, in LES of these flows, it is essential to use accurate SGS models for the viscous dissipation and the pressure dilatation. In this talk, we present LES results for supersonic channel flow, using SGS models for these terms that are based on the resolved-scale dilatation, an inverse timescale, and SGS momentum fluxes, which intrinsically represent this Mach number effect.

  6. Report of the First International Workshop on molecular blood group genotyping

    NARCIS (Netherlands)

    Daniels, G.; van der Schoot, C. E.; Olsson, M. L.

    2005-01-01

    The use of molecular genetic technology for blood group typing is becoming routine procedure in many reference laboratories worldwide. A First International Workshop was organized on behalf of the International Society of Blood Transfusion (ISBT) and the International Council for Standardization in

  7. International energy outlook 1998

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1998-04-01

    The International Energy Outlook 1998 (IEO98) presents an assessment by the Energy Information Administration (EIA) of the outlook for international energy markets through 2020. Projections in IEO98 are displaced according to six basic country groupings. The industrialized region includes projections for four individual countries -- the United States, Canada, Mexico, and Japan -- along with the subgroups Western Europe and Australasia (defined as Australia, New Zealand, and the US Territories). The developing countries are represented by four separate regional subgroups: developing Asia, Africa, Middle East, and Central and South America. China and India are represented in developing Asia. New to this year`s report, country-level projections are provided for Brazil -- which is represented in Central and South America. Eastern Europe and the former Soviet Union (EE/FSU) are considered as a separate country grouping. The report begins with a review of world trends in energy demand. Regional consumption projections for oil, natural gas, coal, nuclear power, and renewable energy (hydroelectricity, geothermal, wind, solar, and other renewables) are presented in five fuel chapters, with a review of the current status of each fuel on a worldwide basis. Summary tables of the IEO98 projections for world energy consumption, carbon emissions, oil production, and nuclear power generating capacity are provided in Appendix A. 88 figs., 77 tabs.

  8. Proceedings; 4th Tsuruga international energy forum. Energy policy and international cooperation of Japan

    International Nuclear Information System (INIS)

    2004-01-01

    The forum was opened at Tsuruga City in Japan from 26 to 27 in April, 2004. It initially discussed Japan's energy policy with the central focus based on the fundamental law of energy, presenting energy policies of each country and the position and future prospects of nuclear energy from these policies. Considering that the forum took place in Tsuruga City (where the FBR 'Monju' is located), expectations on 'Monju' and demands for its international utilization was discussed by researches from abroad, universities in Japan, and the possibility of its realization with views on firm implementation measures was exchanged. Keynote speech was 'Energy policy in the 21st century', special presentation 'importance of science and technology development and cultivation of improvement'. The forum consisted of three sessions: the session I 'energy policy and the role of each country in the 21st century', session II 'international utilization of Monju for FR development' and III 'regional technology development by utilizing nuclear related technology and facilities in Fukui pref.'. There were three panel discussions. 24 members composed speaker and panelists from USA, Turkey, France, UK, China, Switzerland, Korea, Russia and Japan. (S.Y.)

  9. Prospects of the international energy market

    International Nuclear Information System (INIS)

    Schneider, H.K.

    1977-01-01

    The findings of two studies on the international prospects of energy development are discussed: 1) Energy: Global Prospects 1985-2000. Report of the Workshop on Alternative Energy Strategies (WAES) and 2) World Energy Outlook, a recent OECD energy study which is a supplement to the Energy prospects to 1985 study, which was completed in 1974. (UA) [de

  10. A study of internal energy relaxation in shocks using molecular dynamics based models

    International Nuclear Information System (INIS)

    Li, Zheng; Parsons, Neal; Levin, Deborah A.

    2015-01-01

    Recent potential energy surfaces (PESs) for the N 2 + N and N 2 + N 2 systems are used in molecular dynamics (MD) to simulate rates of vibrational and rotational relaxations for conditions that occur in hypersonic flows. For both chemical systems, it is found that the rotational relaxation number increases with the translational temperature and decreases as the rotational temperature approaches the translational temperature. The vibrational relaxation number is observed to decrease with translational temperature and approaches the rotational relaxation number in the high temperature region. The rotational and vibrational relaxation numbers are generally larger in the N 2 + N 2 system. MD-quasi-classical trajectory (QCT) with the PESs is also used to calculate the V-T transition cross sections, the collision cross section, and the dissociation cross section for each collision pair. Direct simulation Monte Carlo (DSMC) results for hypersonic flow over a blunt body with the total collision cross section from MD/QCT simulations, Larsen-Borgnakke with new relaxation numbers, and the N 2 dissociation rate from MD/QCT show a profile with a decreased translational temperature and a rotational temperature close to vibrational temperature. The results demonstrate that many of the physical models employed in DSMC should be revised as fundamental potential energy surfaces suitable for high temperature conditions become available

  11. 76 FR 69714 - International Energy Agency Meetings

    Science.gov (United States)

    2011-11-09

    ...: Notice of Meetings. SUMMARY: The Industry Advisory Board (IAB) to the International Energy Agency (IEA... Industry Advisory Board (IAB) to the International Energy Agency (IEA) will be held at the headquarters of... of Switzerland --Questionnaire Response of The Netherlands 5. Emergency Response Exercises...

  12. International Clean Energy Coalition

    Energy Technology Data Exchange (ETDEWEB)

    Erin Skootsky; Matt Gardner; Bevan Flansburgh

    2010-09-28

    In 2003, the National Association of Regulatory Utility Commissioners (NARUC) and National Energy Technology Laboratories (NETL) collaboratively established the International Clean Energy Coalition (ICEC). The coalition consisting of energy policy-makers, technologists, and financial institutions was designed to assist developing countries in forming and supporting local approaches to greenhouse gas mitigation within the energy sector. ICEC's work focused on capacity building and clean energy deployment in countries that rely heavily on fossil-based electric generation. Under ICEC, the coalition formed a steering committee consisting of NARUC members and held a series of meetings to develop and manage the workplan and define successful outcomes for the projects. ICEC identified India as a target country for their work and completed a country assessment that helped ICEC build a framework for discussion with Indian energy decisionmakers including two follow-on in-country workshops. As of the conclusion of the project in 2010, ICEC had also conducted outreach activities conducted during United Nations Framework Convention on Climate Change (UNFCCC) Ninth Conference of Parties (COP 9) and COP 10. The broad goal of this project was to develop a coalition of decision-makers, technologists, and financial institutions to assist developing countries in implementing affordable, effective and resource appropriate technology and policy strategies to mitigate greenhouse gas emissions. Project goals were met through international forums, a country assessment, and in-country workshops. This project focused on countries that rely heavily on fossil-based electric generation.

  13. International availability of energy minerals

    Energy Technology Data Exchange (ETDEWEB)

    White, N A [Norman White Associates, London (UK)

    1979-06-01

    Whereas the ultimate world supply of energy minerals - defined as fossil fuels and fissile minerals - is controlled by geological factors, the actual supply at any particular time is controlled by economic feasibility, technological innovations and/or political decisions. This paper identifies and discusses the principal uncertainties surrounding the international availability of energy minerals from now until the end of the century. A brief comparison is also made between energy and non-energy minerals.

  14. International energy annual, 1993

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-05-08

    This document presents an overview of key international energy trends for production, consumption, imports, and exports of primary energy commodities in over 200 countries, dependencies, and areas of special sovereignty. Also included are population and gross domestic product data, as well as prices for crude oil and petroleum products in selected countries. Renewable energy includes hydroelectric, geothermal, solar and wind electric power and alcohol for fuel. The data were largely derived from published sources and reports from US Embassy personnel in foreign posts. EIA also used data from reputable secondary sources, industry reports, etc.

  15. World Energy Data System (WENDS). Volume V. International organization data

    Energy Technology Data Exchange (ETDEWEB)

    None

    1979-06-01

    The World Energy Data System contains organized data on those countries and international organizations that may have critical impact on the world energy scene. WENDS has acquired and organized information on the following energy-related organizations: Asian Development Bank; European Economic Community; Inter-American Development Bank; International Atomic Energy Agency; International Energy Agency; Nuclear Energy Agency; United Nations; and World Bank. Within each organizational grouping most of the following topics are addressed: organization background, government background, energy background (energy policy and objectives), energy research and development activities, and international activities.

  16. International energy outlook 1995, May 1995

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-06-01

    The International Energy Outlook 1995 (IEO95) presents an assessment by the Energy Information Administration (EIA) of the international energy market outlook through 2010. The report is an extension of the EIA`s Annual Energy Outlook 1995 (AEO95), which was prepared using the National Energy Modeling System (NEMS). US projections appearing in the IEO95 are consistent with those published in the AEO95. IEO95 is provided as a statistical service to energy managers and analysts, both in government and in the private sector. The projects are used by international agencies, Federal and State governments, trade associations, and other planners and decisionmakers. They are published pursuant to the Department of energy Organization Act of 1977 (Public Law 95-91), Section 295(c). The IEO95 projections are based on US and foreign government policies in effect on October 1, 1994. IEO95 displays projections according to six basic country groupings. The regionalization has changed since last year`s report. Mexico has been added to the Organization for Economic Cooperation and Development (OECD), and a more detailed regionalization has been incorporated for the remainder of the world, including the following subgroups: non-OECD Asia, Africa, Middle East, and Central and South America. China is included in non-OECD Asia. Eastern Europe and the former Soviet Union are combined in the EE/FSU subgroup.

  17. International Energy and Environmental Congress: Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    1993-09-01

    This document contains information presented at the International Energy and Environmental Congress `93 proceedings. Symposiums included demand-side management strategic directions; federal energy management; corporate energy management; and pollution control technologies. Individual reports from the symposiums are processed separately for the data bases.

  18. Report of the Second International Workshop on molecular blood group genotyping

    NARCIS (Netherlands)

    Daniels, G.; van der Schoot, C. E.; Olsson, M. L.

    2007-01-01

    The second International Society of Blood Transfusion and International Council for Standardization in Haematology workshop on molecular blood group genotyping was held in 2006. Forty-one laboratories participated. Six samples were distributed: two representing DNA from transfusion-dependent

  19. International energy outlook 1999

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    This report presents international energy projections through 2020, prepared by the Energy Information Administration. The outlooks for major energy fuels are discussed, along with electricity, transportation, and environmental issues. The report begins with a review of world trends in energy demand. The historical time frame begins with data from 1970 and extends to 1996, providing readers with a 26-year historical view of energy demand. The IEO99 projections covers a 24-year period. The next part of the report is organized by energy source. Regional consumption projections for oil, natural gas, coal, nuclear power, and renewable energy (hydroelectricity, geothermal, wind, solar, and other renewables) are presented in the five fuel chapters, along with a review of the current status of each fuel on a worldwide basis. The third part of the report looks at energy consumption in the end-use sectors, beginning with a chapter on energy use for electricity generation. New to this year`s outlook are chapters on energy use in the transportation sector and on environmental issues related to energy consumption. 104 figs., 87 tabs.

  20. Energy problem and harmony in international relations

    International Nuclear Information System (INIS)

    Ogata, Akira

    1975-01-01

    Energy problems and harmony in international relation are closely related with world politics. Oil is destined to remain as the primary energy source for the time being. The situation of oil has different implications to the U.S. and U.S.S.R., oil producing countries, and consumer countries. The hasty attitude in the past to attain energy sufficiency must be avoided by all means. Congenial harmony is to be established in international relation to meet world energy requirement. This also applies to the case of nuclear power in future. (Mori, K.)

  1. International nuclear energy guide

    International Nuclear Information System (INIS)

    Anon.

    1983-01-01

    Separate abstracts are included for each of the papers presented concerning current technical and economical events in the nuclear field. Twelve papers have been abstracted and input to the data base. The ''international nuclear energy guide'' gives a general directory of the name, the address and the telephone number of the companies and bodies quoted in this guide; a chronology of the main events 1982. The administrative and professional organization, the nuclear courses and research centers in France are presented, as also the organization of protection and safety, and of nuclear fuel cycle. The firms concerned by the design and the construction of NSSS and the allied nuclear firms are also presented. The last part of this guide deals with the nuclear energy in the world: descriptive list of international organizations, and, the nuclear activities throughout the world (alphabetical order by countries) [fr

  2. Calculation of molecular free energies in classical potentials

    International Nuclear Information System (INIS)

    Farhi, Asaf; Singh, Bipin

    2016-01-01

    Free energies of molecules can be calculated by quantum chemistry computations or by normal mode classical calculations. However, the first can be computationally impractical for large molecules and the second is based on the assumption of harmonic dynamics. We present a novel, accurate and complete calculation of molecular free energies in standard classical potentials. In this method we transform the molecule by relaxing potential terms which depend on the coordinates of a group of atoms in that molecule and calculate the free energy difference associated with the transformation. Then, since the transformed molecule can be treated as non-interacting systems, the free energy associated with these atoms is analytically or numerically calculated. This two-step calculation can be applied to calculate free energies of molecules or free energy difference between (possibly large) molecules in a general environment. We demonstrate the method in free energy calculations for methanethiol and butane molecules in vacuum and solvent. We suggest the potential application of free energy calculation of chemical reactions in classical molecular simulations. (paper)

  3. India's energy needs and areas of international cooperation

    Energy Technology Data Exchange (ETDEWEB)

    Wazir, S. N.

    1980-03-15

    India's energy position is poor because of relatively large imports of oil, and poor reserves. In the impending energy crisis, developing countries will suffer (whether or not it is oil-rich) unless international cooperation is forthcoming. Energy consumption patterns in India are shown in tables. Energy reserves are also analyzed, including nonconventional sources (geothermal, solar, etc.). Possible areas for international cooperation are explored. (DLC)

  4. International bulletin on atomic and molecular data for fusion. No. 53

    International Nuclear Information System (INIS)

    Stephens, J.A.

    1997-11-01

    The International Bulletin on Atomic and Molecular Data for Fusion is presented in four parts: 1) The Atomic and Molecular Data Information System (AMDIS) of the IAEA; 2) the indexed papers listed separately for structure and spectra, atomic and molecular collisions, and surface interactions; 3) all bibliographic data for both the indexed and non-indexed references; 4) the Author Index refers to the bibliographic references contained in Part 3

  5. International Atomic Energy Agency and Malaysia

    International Nuclear Information System (INIS)

    Abd Rahim Mohd Nor

    1985-01-01

    A review on IAEA (International Atomic Energy Agency) and its relation with Malaysia is given. This article also discusses the background history of IAEA, its organization and functions in the field of nuclear energy

  6. PREFACE: International Symposium on Molecular Conductors: Novel Functions of Molecular Conductors under Extreme Conditions (ISMC 2008)

    Science.gov (United States)

    Takahashi, Toshihiro; Suzumura, Yoshikazu

    2008-02-01

    The International Symposium on Molecular Conductors 2008 (ISMC2008) was held as the second international symposium of the project entitled `Novel Functions of Molecular Conductors under Extreme Conditions', which was supported by the Grant-in-aid for Scientific Research on Priority Areas from the Ministry of Education, Culture, Sports, Science and Technology in Japan. The project lasted from September 2003 to March 2008, and was completed by this symposium held at Okazaki Conference Center, Institute for Molecular Science, Okazaki, Japan (23-25 July 2008), which about 100 scientists attended. During the symposium, five project teams gave summary talks and exciting talks were given on the topics developed recently not only by the members of the project but also by other scientists including invited speakers from abroad, who are doing active research on molecular conductors. It is expected that papers presented in the symposium will give valuable hints for the next step in the research of this field. Therefore the organizers of this symposium decided to publish this proceedings in order to demonstrate these activities, not only for the local community of the project, but also for the broad society of international scientists who are interested in molecular conductors. The editors, who are also the organizers of this symposium, believe that this proceedings provides a significant and relevant contribution to the field of molecular conductors since it is the first time we have published such a proceedings as an electronic journal. We note that all papers published in this volume of Journal of Physics: Conference Series have been peer reviewed by expert referees. Editors made every effort to satisfy the criterion of a proceedings journal published by IOP Publishing. Toshihiro Takahashi and Yoshikazu Suzumura Editors: Toshihiro Takahashi (Gakushuin University) (Chairman) Kazushi Kanoda (University of Tokyo) Seiichi Kagoshima (University of Tokyo) Takehiko Mori (Tokyo

  7. 2007 Estimated International Energy Flows

    Energy Technology Data Exchange (ETDEWEB)

    Smith, C A; Belles, R D; Simon, A J

    2011-03-10

    An energy flow chart or 'atlas' for 136 countries has been constructed from data maintained by the International Energy Agency (IEA) and estimates of energy use patterns for the year 2007. Approximately 490 exajoules (460 quadrillion BTU) of primary energy are used in aggregate by these countries each year. While the basic structure of the energy system is consistent from country to country, patterns of resource use and consumption vary. Energy can be visualized as it flows from resources (i.e. coal, petroleum, natural gas) through transformations such as electricity generation to end uses (i.e. residential, commercial, industrial, transportation). These flow patterns are visualized in this atlas of 136 country-level energy flow charts.

  8. Report of the third international workshop on molecular blood group genotyping

    NARCIS (Netherlands)

    Daniels, G.; van der Schoot, C. E.; Gassner, C.; Olsson, M. L.

    2009-01-01

    The Third International Society of Blood Transfusion Workshop on Molecular Blood Group Genotyping was held in 2008, with a feedback meeting at the International Society of Blood Transfusion Congress in Macao SAR, China. Thirty-three laboratories participated, eight less than in 2006. Six samples

  9. Energy localization and molecular dissociation

    International Nuclear Information System (INIS)

    Takeno, S.; Tsironis, G.P.

    2005-01-01

    We study analytically as well as numerically the role that large-amplitude vibrations play during the process of molecular dissociation. Our model consists of a linear three-atom molecule composed of identical atoms interacting with their nearest neighbors by Morse potentials. We find a close relation between energy localization and bond breaking and evaluate numerically the corresponding reaction paths

  10. Internal rotation of 1-Aryl-3,3-dialkyltriazenes. Comparison of semiempirical molecular orbital calculations with far-infrared, Raman, and NMR spectroscopic results

    International Nuclear Information System (INIS)

    Panitz, J.C.; Lippert, T.; Wokaun, A.

    1994-01-01

    PM3 and AM1 semiempirical molecular orbital techniques are used to establish a model for internal rotation about the N 2 -N 3 axis of 1-aryl-3,3-dialkyltriazines. The PM3 method is satisfactory for obtaining agreement between the experimental and calculated results, but the AM1 method has an artifact in the potential energy curve of internal rotation about the N 2 -N 3 axis. 24 refs., 6 figs., 5 tabs

  11. DTU International Energy Report 2013

    DEFF Research Database (Denmark)

    to make this possible. This energy report addresses energy storage from a broad perspective: It analyses smaller stores that can be used locally in for example heat storage in the individual home or vehicle, such as electric cars or hydrogen cars. The report also addresses decentralized storage...... as flywheels and batteries linked to decentralized energy systems. In addition it addresses large central storages as pumped hydro storage and compressed air energy storage and analyse this in connection with international transmission and trading over long distances. The report addresses electrical storage...

  12. International energy annual, 1986

    International Nuclear Information System (INIS)

    1987-01-01

    The International Energy Annual presents current data and trends for production, consumption, stocks, imports, and exports for primary energy commodities in more than 190 countries, dependencies, and areas of special sovereignty. Also included are prices on crude petroleum and petroleum products in selected countries. This report is published to keep the public and other interested parties fully informed with respect to primary energy supplies on a global basis. The data presented have been largely derived from published sources and from United States Embassy personnel in foreign posts. The data have been converted to units of measurement and thermal values familiar to the American public

  13. Energy research, national and international

    International Nuclear Information System (INIS)

    Rhijn, A.A.T. van

    1976-01-01

    The Dutch Energy Research Programme inaugurated by the National Steering Group for Energy Research (LSEO) is discussed. Three types of criteria to be borne in mind in the selection of new directions in development are considered: the setting of targets for energy policy: the general central social and economic aims of the country; and the scientific, financial and organisational possibilities. International aspects are reviewed with reference to the IEA, CERN, Euratom, ELDO and ESRO. (D.J.B.)

  14. International Congress on Energy Efficiency and Energy Related Materials

    CERN Document Server

    Bahsi, Zehra; Ozer, Mehmet; ENEFM2013

    2014-01-01

    The International Congress on Energy Efficiency and Energy Related Materials (ENEFM2013) was held on 9-12 October, 2013. This three-day congress focused on the latest developments of sustainable energy technologies, materials for sustainable energy applications and environmental & economic perspectives of energy. These proceedings include 63 peer reviewed technical papers, submitted from leading academic and research institutions from over 23 countries, representing some of the most cutting edge research available. The papers included were presented at the congress in the following sessions: General Issues Wind Energy Solar Energy Nuclear Energy Biofuels and Bioenergy Energy Storage Energy Conservation and Efficiency Energy in Buildings   Economical and Environmental Issues Environment Energy Requirements Economic Development   Materials for Sustainable Energy Hydrogen Production and Storage Photovoltaic Cells Thermionic Converters Batteries and Superconductors Phase Change Materials Fuel Cells Supercon...

  15. International nuclear low and atomic energy

    International Nuclear Information System (INIS)

    Aouinet, Nejib

    2008-01-01

    The aim of this work is to put points on the codification of international law of nuclear energy and its uses in military and peaceful in the first part. The second part was devoted for the imperfection of the law of international nuclear.

  16. Proceedings of IX International Conference for Renewable Energy, Energy Saving and Energy Education (CIER 2017)

    International Nuclear Information System (INIS)

    2017-01-01

    The Study Centre for Renewable Energy Technologies (CETER) located at the Technological University of Havana Jose Antonio Echeverria (CUJAE) Cuba hosted the IX International Renewable Energy Conference, Energy Saving and Energy Education (CIER 2017). The current focus on Cuba's renewable energy sector is ambitious with the Government proposing to boost investment by USD 3.5 billion in order to reach its goal of generating 24 per cent of its power from renewable energy by 2030. CIER 2017 brought together hundreds of scientist, engineers, manufactures, investors, policy makers, energy users and other specialists from across the entire international renewable energy spectrum to exchange knowledge, debate and analyze the global efforts currently being carried out in the field. This is all with the objective of intensifying the introduction of renewable energy technologies and promoting the sustainable energetic development in Cuba and the Caribe.

  17. Recent developments at the atomic and molecular data unit of the International Atomic Energy Agency

    International Nuclear Information System (INIS)

    Clark, R.E.H.; )

    2002-01-01

    The Atomic and Molecular (A+M) Data Unit of the IAEA main purpose is to establish and maintain databases in support of nuclear fusion energy research. This encompasses a very large number of processes in atomic, molecular, and plasma - material interaction physics. Recent improvements and additions to these databases are presented. A prototype search engine, which searches five different sites for radiative data and two sites for electron impact excitation and ionization data is introduced. It is available at the IAEA, Weizmann Institute and GAPHYOR web sites. Data on erosion materials produced by the Co-ordinated research project (CRP) 'Plasma-interaction induced erosion of fusion reactor materials' was evaluated, fitted to physically realistic forms for angle and energy dependence and the resulting fits were added to the online electronic database. In a CRP on radiative power losses in plasmas, many lenghtly modelling calculations were carried out. In addition to providing the calculated radiated power, effective ionisation and recombination rate coefficients were derived. These data were stored along with the populations of the ion stages as well as the total radiation from each ion stage. Thus, it is possible to use these data to interpolate in temperature and electron density to obtain the radiated power at an arbitrary temperature and density. A preliminary version of a new interface to the bibliographic database at the A+M Data unit was developed, it allows the user to search by author and/or keyword. The resulting references are displayed along with a link to the home page of the journal where possible. A code for calculation electron impact excitation cross sections using the so-called 'average approximation' and a version of the Hartree-Fock atomic structure code were installed in the unit and can be run through an interface at the web page. (nevyjel)

  18. International energy annual 1995

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-01

    The International Energy Annual presents information and trends on world energy production and consumption for petroleum, natural gas, coal, and electricity. Production and consumption data are reported in standard units as well as British thermal units (Btu). Trade and reserves are shown for petroleum, natural gas, and coal. Data are provided on crude oil refining capacity and electricity installed capacity by type. Prices are included for selected crude oils and for refined petroleum products in selected countries. Population and Gross Domestic Product data are also provided.

  19. International energy annual 1995

    International Nuclear Information System (INIS)

    1996-12-01

    The International Energy Annual presents information and trends on world energy production and consumption for petroleum, natural gas, coal, and electricity. Production and consumption data are reported in standard units as well as British thermal units (Btu). Trade and reserves are shown for petroleum, natural gas, and coal. Data are provided on crude oil refining capacity and electricity installed capacity by type. Prices are included for selected crude oils and for refined petroleum products in selected countries. Population and Gross Domestic Product data are also provided

  20. Cooperation Agreement. The text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization

    International Nuclear Information System (INIS)

    2009-01-01

    The text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization is reproduced herein for the information of all Members. The Agreement entered into force on 13 October 2008 pursuant to Article 8

  1. Cooperation Agreement. The Text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization

    International Nuclear Information System (INIS)

    2009-01-01

    The text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization is reproduced herein for the information of all Members. The Agreement entered into force on 13 October 2008 pursuant to Article 8

  2. The International Energy Agency`s role in world-wide wind energy development

    Energy Technology Data Exchange (ETDEWEB)

    Rangi, R. [Natural Resources Canada, Ottawa, Ontario (Canada); Ancona, D. [Dept. of Energy, Washington, DC (United States)

    1997-12-31

    Wind energy is now being deployed world-wide at a rapidly increasing rate and the International Energy Agency (IEA) has a changing role in its growth. IEA was founded in 1974 within the framework of the Organization for Economic Cooperation and Development (OECD) to collaborate on comprehensive international energy programs. IEA membership consists of eighteen parties from sixteen countries and the European Commission. Recently there has been increasing interest in IEA participation from both OECD and non-OECD countries. Non-OECD countries participating in various IEA Agreements include: China, India, Israel, Korea, and Russia. Because of its diverse international makeup, the IEA is viewed as a source of reliable technical and economic information. The World Bank has approached the Executive Committee for Wind Energy R & D, through the IEA Renewable Energy Working Party, to assist in the expansion of wind deployment. In addition, IEA is moving from R & D programs to include tracking of implementation incentives offered by its members.

  3. Molecular beam studies of energy transfer in scattering from crystal surfaces

    International Nuclear Information System (INIS)

    Guthrie, W.L.

    1983-01-01

    The translational energy distributions and angular distributions of D 2 O produced from the reaction of incident D 2 and O 2 on a (111) platinum single crystal surface have been measured through the use of a molecular beam-surface scattering apparatus equipped with a time-of-flight spectrometer. The translation energies were measured over the surface temperature range T/sub s/ = 664 K - 913 K and at scattering angles of 7 0 and 40 0 from the surface normal. The D 2 O translational energy, , was found to be approximately half the equilibrium value over the temperature range examined, with /2k varying from 280 K to 480 K. These results are discussed in terms of a non-equilibrium desorption model. The two-photon ionization spectrometer was built to investigate the internal rotational and vibrational energy distributions of NO scattered from Pt(111) surfaces. The rotational energy distributions were measured over the crystal temperature range of T/sub s/ = 400 K - 1200 K. The translational energy distributions and angular distributions were measured using the time-of-flight spectrometer over the crystal temperature range of 400 K - 110 K and for beam translational energies of 0.046 eV, 0.11 eV and 0.24 eV, so that complete energy exchange information for translation, rotation and vibration is available for this gas-surface system. Significant energy transfer was observed in all three modes

  4. International environment, enterprise environment and energy environment giving different look

    Energy Technology Data Exchange (ETDEWEB)

    Kubo, Shunsuke

    1987-04-01

    0he international environment, enterprise environment and energy environment surrounding Japan are changing their looks. In such situation, what Japan should do for the development of the world was discussed. Internationally, in the Western Pacific economical block including Japan and Asian NICs, Japan promotes the international exchange of materials, capital, technology, information and people, and creates various international public properties. Enterprisers should have global mind, and cope with the internationalization, technical innovation and information orientation which are in progress at present through international exchange, interindustrial exchange, industry-university-government exchange and so on. In the aspect of energy environment, Japan carries out the technical development of energy conservation, energy, creation and the exploration of energy resources, in this way, contributes to the stabilization of energy in the world. (3 figs, 1 tab)

  5. International and national organizations within nuclear energy

    International Nuclear Information System (INIS)

    Sandstroem, S.

    1975-03-01

    A survey is given of the organization, objective and action of international and national organizations working with nuclear energy. Five types of organizations are treated: international governmental organizations, international non-governmental organizations, international organizations dealing with ionizing radiation, nordic organizations, and Swedish organizations. Special attention is payed to the Swedish participation in the different organizations. (K.K)

  6. The internal energy market

    International Nuclear Information System (INIS)

    1988-01-01

    The briefs compile the results of the studies the Commission worked out on the subject on the basis of experiences gained on its own part, on the part of the government and on the part of the market. The briefs are based on the schematic inventory annexed which for each energy sector points out the different existing or potential obstacles to a common energy market the most comprehensive and transparent way possible. Step by step part one and part two discuss the general problems connected with the integration of energy into the internal market, priorities which according to the Commission should be investigated into, and guidelines for such investigations. (orig./UA) [de

  7. Cooperation Agreement. The Text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization

    International Nuclear Information System (INIS)

    2009-01-01

    The text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization is reproduced herein for the information of all Members. The Agreement entered into force on 13 October 2008 pursuant to Article 8 [fr

  8. Cooperation Agreement. The Text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization

    International Nuclear Information System (INIS)

    2009-01-01

    The text of the Cooperation Agreement between the International Atomic Energy Agency and the ITER International Fusion Energy Organization is reproduced herein for the information of all Members. The Agreement entered into force on 13 October 2008 pursuant to Article 8 [es

  9. International availability of energy minerals

    Energy Technology Data Exchange (ETDEWEB)

    White, N A

    1978-09-01

    Whereas the ultimate world supply of energy minerals--defined as fossil fuels and fissile materials--is controlled by geological factors, the actual supply at any particular time is controlled by economic feasibility, technological innovations and/or political decisions. This paper identifies and discusses the principal uncertainties surrounding the international availability of energy minerals from now until the end of the century. Genuine shortages of energy minerals are now of a very long-term nature, whereas artificial ones may occur at any time and have a serious effect on the world economy due to the dependence of most OECD countries on imports of energy minerals. This paper argues that events over the last decade will progressively lead to a major, long-lasting transformation of the energy scene worldwide. This transformation will encompass demand, in terms of conservation and efficiency, the supply mix of the various energy minerals, the supply system and the structure of the different energy industries. It is already affecting the role of governments and reaching into the question of national sovereignty, thereby making energy minerals a key area of international relations. In all these respects, this paper concludes that we have entered an era that is quite different from those we have experienced in the past. As well as requiring many new technological innovations, more importantly, attention must be focused on the development of new approaches to meeting the energy industries' capital requirements in the decades ahead--first, because of the changing character of the energy industries and the magnitude of their financial requirements; secondly, because of the nature of the uncertainties with which they are faced; and thirdly, because of the constantly shifting and increasingly complex world capital market conditions.

  10. DTU International Energy Report 2015

    DEFF Research Database (Denmark)

    to solve some of the challenges introduced by the broader integration of renewable sources. Closer integration and coordination of energy infrastructures might also lead to a more cost-effective energy system with a lower impact on the environment and climate. The DTU International Energy Report 2015......One of the challenges in the transition to a non-fossil energy system with a high share of fluctuating renewable energy sources is to secure a well-functioning and stable electricity infrastructure. Today, conventional generation is responsible for providing many of the power system services needed...... for stable and reliable electricity infrastructure operation. When fluctuating renewable energy sources are taking over, the heating, cooling, gas, and transport infrastructures may be able to provide some of the flexibility needed. Closer integration of the various energy infrastructures is thus a means...

  11. Molecular solar thermal energy storage in photoswitch oligomers increases energy densities and storage times.

    Science.gov (United States)

    Mansø, Mads; Petersen, Anne Ugleholdt; Wang, Zhihang; Erhart, Paul; Nielsen, Mogens Brøndsted; Moth-Poulsen, Kasper

    2018-05-16

    Molecular photoswitches can be used for solar thermal energy storage by photoisomerization into high-energy, meta-stable isomers; we present a molecular design strategy leading to photoswitches with high energy densities and long storage times. High measured energy densities of up to 559 kJ kg -1 (155 Wh kg -1 ), long storage lifetimes up to 48.5 days, and high quantum yields of conversion of up to 94% per subunit are demonstrated in norbornadiene/quadricyclane (NBD/QC) photo-/thermoswitch couples incorporated into dimeric and trimeric structures. By changing the linker unit between the NBD units, we can at the same time fine-tune light-harvesting and energy densities of the dimers and trimers so that they exceed those of their monomeric analogs. These new oligomers thereby meet several of the criteria to be met for an optimum molecule to ultimately enter actual devices being able to undergo closed cycles of solar light-harvesting, energy storage, and heat release.

  12. International Energy Agency Ocean Energy Systems Task 10 Wave Energy Converter Modeling Verification and Validation

    DEFF Research Database (Denmark)

    Wendt, Fabian F.; Yu, Yi-Hsiang; Nielsen, Kim

    2017-01-01

    This is the first joint reference paper for the Ocean Energy Systems (OES) Task 10 Wave Energy Converter modeling verification and validation group. The group is established under the OES Energy Technology Network program under the International Energy Agency. OES was founded in 2001 and Task 10 ...

  13. Free energy from molecular dynamics with multiple constraints

    NARCIS (Netherlands)

    den Otter, Wouter K.; Briels, Willem J.

    2000-01-01

    In molecular dynamics simulations of reacting systems, the key step to determining the equilibrium constant and the reaction rate is the calculation of the free energy as a function of the reaction coordinate. Intuitively the derivative of the free energy is equal to the average force needed to

  14. State-to-state dynamics of molecular energy transfer

    Energy Technology Data Exchange (ETDEWEB)

    Gentry, W.R.; Giese, C.F. [Univ. of Minnesota, Minneapolis (United States)

    1993-12-01

    The goal of this research program is to elucidate the elementary dynamical mechanisms of vibrational and rotational energy transfer between molecules, at a quantum-state resolved level of detail. Molecular beam techniques are used to isolate individual molecular collisions, and to control the kinetic energy of collision. Lasers are used both to prepare specific quantum states prior to collision by stimulated-emission pumping (SEP), and to measure the distribution of quantum states in the collision products by laser-induced fluorescence (LIF). The results are interpreted in terms of dynamical models, which may be cast in a classical, semiclassical or quantum mechanical framework, as appropriate.

  15. International energy indicators

    International Nuclear Information System (INIS)

    Rossi, E. Jr.

    1981-12-01

    Data are tabulated and graphically represented on international energy indicators. The following are presented: world crude oil production, 1974 to October 1981; OPEC crude oil productive capacity; world crude oil and refined product inventory levels, 1975 to October, 1981; oil consumption in OECD countries, 1975 to October 1981; USSR crude oil production and exports, 1975 to October, 1981; free world and US nuclear electricity generation, 1973 to December, 1981 and current capacity. Specific US data presented are: US domestic oil supply, 1977 to June, 1981; US gross imports of crude oil and products, 1973 to October, 1981; landed cost of Saudi crude current and 1974 dollars; US coal trade, 1975 to September, 1981; US natural gas trade, 1975 to October, 1981; summary of US merchandise trade, 1977 to October, 1981; and energy/GNP ratio

  16. US DOE International energy policy on Russia

    Energy Technology Data Exchange (ETDEWEB)

    Gale, B.G.

    1996-04-01

    This report describes the importance of the United States Department of Energy`s (US DOE) International Energy Policy to Russia. Key objectives identified include the support of the transition to democracy and a market based economy. The U.S.interests at stake, importance of energy to Russia, key institutional mechanism, energy-policy committee, joint energy activities, and the key to the success of other U.S. policy are discussed.

  17. Geometric and electronic structures of molecular ions from high energy collisions

    International Nuclear Information System (INIS)

    Groeneveld, K.O.

    1983-01-01

    This chapter examines the characteristics of heavy ion collision and of beam foil spectroscopy. It discusses the kinematic consequences of the high energies and presents results from ''Coulomb explosion'' and structure determination of molecular ions. It demonstrates that studies of molecular ions with accelerators can provide electronic and geometric structure information of molecules or molecular ions and points out that the understanding of the microscopic processes at such high energies is incomplete and needs further experimental and theoretical efforts

  18. New formula for dependence of molecular electronic energy on internuclear distance

    International Nuclear Information System (INIS)

    Rebane, T.K.

    1988-01-01

    We formulate an integral virial theorem which connects the change in the molecular electronic energy during finite changes in the size of the nuclear core (in the case of a diatomic molecule, during finite changes of the internuclear distance) with a matrix element of the kinetic electronic energy operator and with an overlap integral between wave functions. Our results can be used to calculate the dependence of the molecular electronic energy on the internuclear distance, as well as to check the quality of, and to improve, the approximate electronic wave functions. The theory is illustrated by the simplest example of the approximate MO LCAO wave function for the hydrogen molecular ion

  19. Correlation energy generating potentials for molecular hydrogen

    International Nuclear Information System (INIS)

    Sharma, B.S.; Thakkar, A.J.

    1985-01-01

    A variety of local correlation energy functionals are currently in use. All of them depend, to some extent, on modeling the correlation energy of a homogeneous electron fluid. Since atomic and molecular charge densities are neither uniform nor slowly varying, it is important to attempt to use known high accuracy wave functions to learn about correlation energy functionals appropriate to such systems. We have extended the definition of the correlation energy generating potentials V/sub c/ introduced by Ros. A charge density response to correlation has been allowed for by inclusion of an electron--nuclear component V/sup e/n/sub c/ in addition to the electron--electron component V/sup e/e/sub c/. Two different definitions of V/sup e/n/sub c/ are given. We present the first calculations of V/sub c/ for a molecular system: H 2 . The results show that V/sup e/n/sub c/, in either definition, is by no means negligible. Moreover, V/sup e/e/sub c/ and both forms of V/sup e/n/sub c/ show significant nonlocal dependence on the charge density. Calculations with ten different model correlation energy functionals show that none of them is particularly sensitive to the charge density. However, they are quite sensitive to the parametrization of the electron fluid correlation energy. The schemes which include self-interaction corrections (SIC) are found to be superior to those of Kohn--Sham type. The correlation energy generating potentials implied by the SIC type and empirical correlation energy functionals are found to correspond roughly to averages of one of the accurate potentials

  20. PREFACE: 8th Asian International Seminar on Atomic and Molecular Physics (AISAMP)

    Science.gov (United States)

    Williams, Jim F.; Buckman, Steve; Bieske, Evan J.

    2009-09-01

    These proceedings arose from the 8th Asian International Seminar on Atomic and Molecular Physics (AISAMP) which was held at the University of Western Australia 24-28 November 2008. The history of AISAMP (Takayanagi and Matsuzawa 2002) recognizes its origin from the Japan-China meeting of 1985, and the first use of the name 'The First Asian International Seminar on Atomic and Molecular Physics (AISAMP)' in 1992. The initial attendees, Japan and China, were joined subsequently by scientists from Korea, Taiwan, India, Australia and recently by Malaysia, Thailand, Vietnam, Turkey Iran, UK and USA. The main purpose of the biennial AISAMP series is to create a wide forum for exchanging ideas and information among atomic and molecular scientists and to promote international collaboration. The scope of the AISAMP8 meeting included pure, strategic and applied research involving atomic and molecular structure and processes in all forms of matter and antimatter. For 2008 the AISAMP conference incorporated the Australian Atomic and Molecular Physics and Quantum Chemistry meeting. The topics for AISAMP8 embraced themes from earlier AISAMP meetings and reflected new interests, in atomic and molecular structures, spectroscopy and collisions; atomic and molecular physics with laser or synchrotron radiation; quantum information processing using atoms and molecules; atoms and molecules in surface physics, nanotechnology, biophysics, atmospheric physics and other interdisciplinary studies. The implementation of the AISAMP themes, as well as the international representation of research interests, is indicated both in the contents list of these published manuscripts as well as in the program for the meeting. Altogether, 184 presentations were made at the 8th AISAMP, including Invited Talks and Contributed Poster Presentations, of which 60 appear in the present Proceedings after review by expert referees in accordance with the usual practice of Journal of Physics: Conference Series of

  1. Photoelectron spectroscopy on the charge reorganization energy and small polaron binding energy of molecular film

    Energy Technology Data Exchange (ETDEWEB)

    Kera, Satoshi, E-mail: kera@ims.ac.jp [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan); Ueno, Nobuo [Department of Nanomaterial Science, Graduate School of Advanced Integration Science, Chiba University, Inage-ku, Chiba 263-8522 (Japan)

    2015-10-01

    Understanding of electron-phonon coupling as well as intermolecular interaction is required to discuss the mobility of charge carrier in functional molecular solids. This article summarizes recent progress in direct measurements of valence hole-vibration coupling in ultrathin films of organic semiconductors by using ultraviolet photoelectron spectroscopy (UPS). The experimental study of hole-vibration coupling of the highest occupied molecular orbital (HOMO) state in ordered monolayer film by UPS is essential to comprehend hole-hopping transport and small-polaron related transport in organic semiconductors. Only careful measurements can attain the high-resolution spectra and provide key parameters in hole-transport dynamics, namely the charge reorganization energy and small polaron binding energy. Analyses methods of the UPS HOMO fine feature and resulting charge reorganization energy and small polaron binding energy are described for pentacene and perfluoropentacene films. Difference between thin-film and gas-phase results is discussed by using newly measured high-quality gas-phase spectra of pentacene. Methodology for achieving high-resolution UPS measurements for molecular films is also described.

  2. Electron energy-loss spectra in molecular fluorine

    Science.gov (United States)

    Nishimura, H.; Cartwright, D. C.; Trajmar, S.

    1979-01-01

    Electron energy-loss spectra in molecular fluorine, for energy losses from 0 to 17.0 eV, have been taken at incident electron energies of 30, 50, and 90 eV and scattering angles from 5 to 140 deg. Features in the spectra above 11.5 eV energy loss agree well with the assignments recently made from optical spectroscopy. Excitations of many of the eleven repulsive valence excited electronic states are observed and their location correlates reasonably well with recent theoretical results. Several of these excitations have been observed for the first time and four features, for which there are no identifications, appear in the spectra.

  3. Calculations for very low energy scattering of positrons by molecular hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Cooper, J.N. [School of Mathematical Sciences, University of Nottingham, Nottingham NG7 2RD (United Kingdom)], E-mail: james.cooper@maths.nottingham.ac.uk; Armour, E.A.G. [School of Mathematical Sciences, University of Nottingham, Nottingham NG7 2RD (United Kingdom)

    2008-02-15

    We give a progress report on ongoing calculations of phase shifts for very low energy elastic scattering of positrons by molecular hydrogen, using the generalised Kohn variational method. Further, provisional calculations of Z{sub eff} for molecular hydrogen at low energies are presented and discussed. The preliminary nature of the work is emphasised throughout.

  4. International energy: Research organizations, 1988--1992. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    Hendricks, P.; Jordan, S. [eds.] [USDOE Office of Scientific and Technical Information, Oak Ridge, TN (United States)

    1993-06-01

    This publication contains the standardized names of energy research organizations used in energy information databases. Involved in this cooperative task are (1) the technical staff of the US DOE Office of Scientific and Technical Information (OSTI) in cooperation with the member countries of the Energy Technology Data Exchange (ETDE) and (2) the International Nuclear Information System (INIS). ETDE member countries are also members of the International Nuclear Information System (INIS). Nuclear organization names recorded for INIS by these ETDE member countries are also included in the ETDE Energy Database. Therefore, these organization names are cooperatively standardized for use in both information systems. This publication identifies current organizations doing research in all energy fields, standardizes the format for recording these organization names in bibliographic citations, assigns a numeric code to facilitate data entry, and identifies report number prefixes assigned by these organizations. These research organization names may be used in searching the databases ``Energy Science & Technology`` on DIALOG and ``Energy`` on STN International. These organization names are also used in USDOE databases on the Integrated Technical Information System. Research organizations active in the past five years, as indicated by database records, were identified to form this publication. This directory includes approximately 31,000 organizations that reported energy-related literature from 1988 to 1992 and updates the DOE Energy Data Base: Corporate Author Entries.

  5. On the physical interpretation of the nuclear molecular orbital energy.

    Science.gov (United States)

    Charry, Jorge; Pedraza-González, Laura; Reyes, Andrés

    2017-06-07

    Recently, several groups have extended and implemented molecular orbital (MO) schemes to simultaneously obtain wave functions for electrons and selected nuclei. Many of these schemes employ an extended Hartree-Fock approach as a first step to find approximate electron-nuclear wave functions and energies. Numerous studies conducted with these extended MO methodologies have explored various effects of quantum nuclei on physical and chemical properties. However, to the best of our knowledge no physical interpretation has been assigned to the nuclear molecular orbital energy (NMOE) resulting after solving extended Hartree-Fock equations. This study confirms that the NMOE is directly related to the molecular electrostatic potential at the position of the nucleus.

  6. The International Atomic Energy Agency's safeguards system

    International Nuclear Information System (INIS)

    Wagner, W.

    2000-01-01

    A system of international safeguards has been established to provide assurance that nuclear materials in civilian use are not diverted from their peaceful purpose. The safeguards system is administered by the International Atomic Energy Agency/Department of Safeguards and devolves from treaties and other international agreements. Inspectors from the Agency verify reports from States about nuclear facilities by audits, observation, and measurements. (author)

  7. The Development of International Law in the Field of Renewable Energy

    Directory of Open Access Journals (Sweden)

    Imam Mulyana

    2016-04-01

    Full Text Available Energy plays a pivotal role in ensuring economic growth, social equity and live-able environment. In this regard, the non-renewable or conventional source of energy such as oil, gas and coal continue to supply the energy demand throughout the world. Nevertheless, as the awareness of the international society towards the protection and preservation of the global environment is rapidly growing, the utilization of energy resources has been gradually shifted from the non-renewable to renewable ones. Observing the international developments in the field of energy, further international legal instruments is required to be able to regulate renewable energy activities undertaken by the countries today. Although there have been a number of rules in international law, but until recently, most of these regulations is still not legally binding. Moreover, to achieve world order that uses renewable energy, international law also had to resolve some fundamental issues, namely the issue of state sovereignty and energy security.

  8. Machine learning of accurate energy-conserving molecular force fields

    Science.gov (United States)

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert

    2017-01-01

    Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076

  9. World Energy Data System (WENDS). Volume VI. International agreement profiles

    Energy Technology Data Exchange (ETDEWEB)

    None

    1979-06-01

    The World Energy Data System contains organized data on those countries and international organizations that may have critical impact on world energy. The international agreement profiles in WENDS are all energy-related and are organized by energy technology. These are: coal; conservation; fusion; geothermal; nuclear fission; oil, gas, and shale; solar, wind, and ocean thermal; and other (cooperation in electrical power equipment acquisition, energy, energy research, etc.). The agreement profiles are accessible by energy technology and alphabetically by country.

  10. Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulations.

    Science.gov (United States)

    Wu, Jingheng; Shen, Lin; Yang, Weitao

    2017-10-28

    Ab initio quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulation is a useful tool to calculate thermodynamic properties such as potential of mean force for chemical reactions but intensely time consuming. In this paper, we developed a new method using the internal force correction for low-level semiempirical QM/MM molecular dynamics samplings with a predefined reaction coordinate. As a correction term, the internal force was predicted with a machine learning scheme, which provides a sophisticated force field, and added to the atomic forces on the reaction coordinate related atoms at each integration step. We applied this method to two reactions in aqueous solution and reproduced potentials of mean force at the ab initio QM/MM level. The saving in computational cost is about 2 orders of magnitude. The present work reveals great potentials for machine learning in QM/MM simulations to study complex chemical processes.

  11. International bulletin on atomic and molecular data for fusion. No. 48

    International Nuclear Information System (INIS)

    1994-10-01

    This bulletin provides atomic and molecular data references relevant to thermonuclear fusion research and technology. In part I the indexing of the papers is given separately for (i) structure and spectra (energy levels, wavelengths; transition probabilities, oscillator strengths; interatomic potentials), (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy particle collisions), and (iii) surface interactions (sputtering, surface damage, blistering, flaking, arcing, chemical reactions). Part II contains the bibliographic data for the above listed topics and for plasma composition and impurities, plasma heating, cooling and fuelling, high energy laser- and beam- matter interaction, bibliographic and numerical data collections, and on interaction of atomic particles with fields. Also included are sections on atomic and molecular data needs for fusion research and on news about ALADDIN (A Labelled Atomic Data Interface) and evaluated-data bases

  12. The role of molecular pain biomarkers in temporomandibular joint internal derangement.

    Science.gov (United States)

    Ernberg, M

    2017-06-01

    There is evidence that low-grade inflammation may be responsible for pain and development of degenerative changes in temporomandibular joint internal derangement. This article reviews the current knowledge of the molecular mechanisms behind TMJ internal derangements. A non-systematic search was carried out in PubMed, Embase and the Cochrane library for studies regarding pathophysiological mechanisms behind internal derangements focusing on pain-mediating inflammatory and cartilage-degrading molecules. Recent data suggest that release of cytokines may be the key event for pain and cartilage destruction in TMJ internal derangements. Cytokines promote the release of matrix metalloproteinases (MMPs), and due to hypoxia, vascular endothelial growth factor (VEGF) is released. This activates chondrocytes to produce MMPs and reduce their tissue inhibitors (TIMPs) as well as the recruitment of osteoclasts, ultimately leading to cartilage and bone resorption. Also, proteoglycans have an important role in this process. Several cytokines, MMPs, TIMPs and VEGF have been identified in higher concentrations in the TMJ synovial fluid of patients with painful internal derangements and shown to be associated with the degree of degeneration. Other molecules that show elevated levels include hyaluronic acid synthase, disintegrin and metalloproteinase with thrombospondin motifs (ADAMTs), aggrecan, fibromodulin, biglycan and lumican. Taken together, more or less pronounced inflammation of TMJ structures with release of cytokines, MMPs and other molecular markers that interact in a complex manner may be responsible for tissue degeneration in internal derangements. As internal derangements may be symptom-free, the degree of inflammation, but also other mechanisms, may be important for pain development. © 2017 John Wiley & Sons Ltd.

  13. The international pressures on the energy market in Iberian America and Brazil

    International Nuclear Information System (INIS)

    Lavos Coimbra, G.

    2006-01-01

    This paper analyses Brazilian nuclear energy history, and addresses recent events, such as the international political pressures, the International Atomic Energy Agency/IAEA position, the new facts about nuclear energy in the world, the international energy market and the Iberian-America, the news about the Brazilian nuclear energy area, the best opportunities of good business in the Brazilian nuclear sector, the Brazilian Government and the Brazilian public position, in relation to International Law. (author)

  14. Biotrade1: international trade in renewable energy from biomass

    NARCIS (Netherlands)

    Agterberg, A.E.; Faaij, A.P.C.

    1998-01-01

    This paper discusses international trade in renewable energy from biomass. Main objective is to compare options for international trade in energy from biomass and to compare these options with non-trade options like domestic use of biomass and afforestation. Aspects that are taken into account are

  15. Proceedings of the 6. international green energy conference IGEC-6

    Energy Technology Data Exchange (ETDEWEB)

    Karakoc, T.H.; Midilli, A.; Turan, O.; Orman, E.; Tunca, F.; Yazar, I. (eds.) [School of Civil Aviation, Anadolu University, Eskisehir (Turkey)

    2011-07-01

    The 6th International Green Energy Conference (IGEC) took place in Eskisehir, Turkey, from June 5 to June 9, 2011 and was organized by the International Association for Green Energy and Anadolu University. The IGEC is a multi-disciplinary international conference on the use of energy with reduced environmental impacts. Around 150 experts from all over the world attended and presentations were given on energy diversity, energy localization, energy security and sustainable development. The conference provided these experts with an opportunity to hear about studies done by their peers, gather and discuss the latest technical information and research results, and to debate future directions and priorities in sustainable development and energy security. All 124 papers presented during the conference have been catalogued separately for inclusion in this database.

  16. Energy - politics - history. National and international energy politics since 1945; Energie - Politik - Geschichte. Nationale und internationle Energiepolitik seit 1945

    Energy Technology Data Exchange (ETDEWEB)

    Hohensee, J. [ed.; Salewski, M. [ed.

    1993-12-31

    All articles focus on historical aspects of the development of energy politics in the Federal Republic of Germany (energy enconomy and industry, hard coal, nuclear energy). Some articles also look at international developments (oil boycott, Saudia Arabias`s oil policies, International Energy Agency). (UA) [Deutsch] Im Vordergrund der Beitraege stehen historische Aspekte der Entwicklung der Energiepolitik in der Bundesrepublik Deutschland (Energiewirtschaft, Steinkohle, Kernenergie), einige Arbeiten werfen auch einen Blick auf internationale Entwicklungen (Oelboykott, Erdoelpolitik Saudi-Arabiens, Internationale Energie-Agentur). (UA)

  17. China's conception of energy security : sources and international impacts

    International Nuclear Information System (INIS)

    Constantin, C.

    2005-01-01

    The unique challenges and opportunities associated with China's rapid economic growth were discussed with reference to the potential risk of political disruption or destabilizing international markets. The author notes that two common mistakes are typically made when assessing the evolution of China's energy policy. The first is that China's future path is assimilated with that of developed countries, thereby dismissing evidence that might point toward a different relationship with energy. Second, analysts tend to focus on the external expression of China's energy needs, its oil imports, while overlooking other energy-related issues such as insufficient electricity supplies or environmental degradation. The author argues that Chinese leadership is redefining its understanding of what constitutes energy security for the country. This report assesses the international impacts of such a redefinition along with the international aspects of a business-as-usual scenario in which China pursues its traditional model of energy security. It was emphasized that two different views of energy security lead to different sets of challenges and opportunities for western governments and businesses. 101 refs., 2 figs

  18. The international magnetic fusion energy program

    International Nuclear Information System (INIS)

    Fowler, T.K.

    1988-01-01

    In May of 1988, the long tradition of international cooperation in magnetic fusion energy research culminated in the initiation of design work on the International Thermonuclear Experimental Reactor (ITER). If eventually constructed in the 1990s, ITER would be the world's first magnetic fusion reactor. This paper discusses the background events that led to ITER and the present status of the ITER activity. This paper presents a brief summary of the technical, political, and organizational activities that have led to the creation of the ITER design activity. The ITER activity is now the main focus of international cooperation in magnetic fusion research and one of the largest international cooperative efforts in all of science. 2 refs., 12 figs

  19. International Nuclear Information System 1983-1996. International Atomic Energy Agency Publications

    International Nuclear Information System (INIS)

    1997-03-01

    This catalogue lists all sales publications of the International Atomic Energy Agency dealing with the International Nuclear Information System (INIS). INIS was established in 1969 to announced the scientific literature published worldwide on the peaceful uses of nuclear energy. All books are published in English. It should be noted that prices of books are quoted in Austrian Schillings. The prices do not include local taxes and are subject to change without notice. All books in this catalogue are 21 x 30 cm, paper-bound, unless otherwise stated. In addition all books in this catalogue, except for the INIS Input Training Kit, are available on microfiche. For information on the microfiche versions, contact the INIS Clearinghouse of the IAEA

  20. IAEA workshop on 'Atomic and molecular data for fusion energy research'. Summary report

    International Nuclear Information System (INIS)

    Clark, R.E.H.

    2004-05-01

    On September 8-12 a workshop on Atomic and Molecular (A+M) Data for Fusion Energy Research was hosted by the International Centre for Theoretical Physics in Trieste Italy. The workshop was attended by twelve students representing eleven Member States. A total of five lecturers, including four external to the Agency, made presentations to the workshop. All lecturers provided advance copies of the lecture materials and all provided written assignments for the students, to provide practical examples of applications of data issues to actual problems related to fusion energy research. All materials were collected on CDs, which were distributed to the students by the conclusion of the workshop. During the course of the workshop the students were given the opportunity to describe their backgrounds and research interests. The workshop did arouse interest in A+M processes related to fusion. The workshop was viewed as successful by the students. (author)

  1. Proceedings of VI International Conference for Renewable Energy, Energy Saving and Energy Education (CIER 2009)

    International Nuclear Information System (INIS)

    2009-01-01

    The CD-ROM presents papers submitted to the International Conference of Renewable Energy, Energy Saving and Energy Education. CIER 2009, held in Havana, Cuba, on Jun 9-13, 2009 May. The purpose of the CIER 2009 are to offer an opportunity to engineers, investigators, academic, makers and specialists in the energy topic from all over the world to exchange experiences, to share their successes and to discuss their focuses to future in the topic of the energy renewable, the energy saving, the energy efficiency and the energy education

  2. Energy conservation in molecular dynamics simulations of classical systems

    DEFF Research Database (Denmark)

    Toxværd, Søren; Heilmann, Ole; Dyre, J. C.

    2012-01-01

    Classical Newtonian dynamics is analytic and the energy of an isolated system is conserved. The energy of such a system, obtained by the discrete “Verlet” algorithm commonly used in molecular dynamics simulations, fluctuates but is conserved in the mean. This is explained by the existence...

  3. India's energy needs and areas of international cooperation

    Energy Technology Data Exchange (ETDEWEB)

    Wazir, S.N.

    1980-03-15

    India's energy position is poor because of relatively large imports of oil, and poor reserves. In the impending energy crisis, developing countries will suffer (whether or not it is oil-rich) unless international cooperation is forthcoming. Energy consumption patterns in India are shown in tables. Energy reserves are also analyzed, including nonconventional sources (geothermal, solar, etc.). Possible areas for international cooperation are explored. (DLC)

  4. 4th international conference in sustainability in energy and buildings

    CERN Document Server

    Höjer, Mattias; Howlett, Robert; Jain, Lakhmi

    2013-01-01

    This volume contains the proceedings of the Fourth International Conference on Sustainability in Energy and Buildings, SEB12, held in Stockholm, Sweden, and is organised by KTH Royal Institute of Technology, Stockholm, Sweden in partnership with KES International. The International Conference on Sustainability in Energy and Buildings focuses on a broad range of topics relating to sustainability in buildings but also encompassing energy sustainability more widely. Following the success of earlier events in the series, the 2012 conference includes the themes Sustainability, Energy, and Buildings and Information and Communication Technology, ICT. The SEB’12 proceedings includes invited participation and paper submissions across a broad range of renewable energy and sustainability-related topics relevant to the main theme of Sustainability in Energy and Buildings. Applicable areas include technology for renewable energy and sustainability in the built environment, optimisation and modeling techniques, informati...

  5. Conceptual proposals for measuring the impact of international regimes on energy security

    International Nuclear Information System (INIS)

    Sander, Michael

    2013-01-01

    The paper proposes two concepts to assess the effect of international regimes on energy security. Existing indicators focus mainly on state-level factors, excluding international influences. International relation scholars on the other hand see a clear connection between international regimes and stable energy relations. International regimes stabilise energy relations by providing frameworks for negotiations, defining, controlling and sanctioning compliance and allowing the actors to engage in package deals. The researcher needs to include these factors in a complete assessment of political energy security risks. As first step, the paper uses the effectiveness of control mechanisms as basis for such consideration. It refers specifically to international arbitration as the most important control mechanism in international energy relations. The simplest measurement option is the share of a county's energy imports covered by a certain regime. The paper applies the Oslo-Potsdam-Solution to account for outcome effectiveness. It applies a variant of the International Regimes Data Base protocol to account for effective regime structures. In a last section, the paper proposes some possible paths for future research. - Highlights: • International regimes mitigate political risks for energy supply and must be considered. • The paper proposes two concepts to measure energy regime effectiveness. • The OPS-variant measures output, the IRDB-variant measures structure effectiveness. • The paper offers a preliminary feasibility test for the concepts. • Finally, it suggests further roads for research

  6. Energy policy under the aspect of international economic interdependencies

    International Nuclear Information System (INIS)

    Michaelis, H.

    1978-01-01

    A few introductory remarks on the status of and on prospects fo the world energy economy as well as on reasons given for the necessity of a world-wide coordination of energy policy and economic policy are followed by an explanation of the policy led by oil extracting countries and of the endeavour of western industrialized countries to reduce oil imports. Even if the state of utilizing nuclear energy does not yet present a sufficient alternative, the international nuclear energy continues to be directed towards this goal. Seen from an international viewpoint, relieving contributions are to be expected from energy-conservation-actions and from the development of regenerative energy sources. (UA) [de

  7. International responsibility of using nuclear energy for peaceful purposes

    International Nuclear Information System (INIS)

    Ouenat, N.

    2008-01-01

    Although the stability of the idea of international responsibility in public international law, the international jurisprudence has not settled on a definition. The concept of international responsibility is no longer limited to the legal effects or consequences under international law to violate its provisions. The states recognized that the customary principles governing the international responsibility in public international law does not take into account the specificities of nuclear dangers, this sought to conclude a number of international conventions include a special system of nuclear liability not based on the wrongful act, but on the principle of keeping things, and it requires the existence of an international regime for nuclear liability in order to establish measures and procedures to achieve the implementation of the provisions for compensation unhindered by national legal systems. There is no doubt that the use of nuclear energy in time of peace falls within the scope of internationally prohibited acts. Atomic activities undertaken by the State within its borders for peaceful purposes are considered legitimate activities as long as they have taken necessary measures to avoid damage to neighboring countries. States has tended to conclude international agreements under which disputes that may result from the use of nuclear energy can be solved. The existing international legal framework on Civil Liability for Nuclear Damage consists of three major interrelated agreements: Paris Convention on civil liability in the field of nuclear energy, Vienna Convention on Civil Liability for civil damages and the Brussels Convention on Civil Liability in the Field of Maritime Carriage of Nuclear Materials.

  8. Molecular states of HeH+. Energies and dynamical couplings

    International Nuclear Information System (INIS)

    Macias, A.; Riera, A.; Yanez, M.

    1983-01-01

    We complete the molecular results reported in a previous paper by presenting additional energies (for /sup 1,3/μ states) and radial couplings (between 'μ states) of the HeH + system. These results are needed to treat elastic and inelastic charge-exchange processes when full account is taken of momentum-transfer problems. We also present a formalism to calculate radial couplings between wave functions computed with the use of different variational methods and basis sets. The detailed form of the radial couplings is discussed and related to the Barat-Lichten correlation diagram. The effect of using finite basis sets in calculatig degenerate molecular energies is also discussed

  9. International Energy Agency Ocean Energy Systems Task 10 Wave Energy Converter Modeling Verification and Validation: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Wendt, Fabian F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Yu, Yi-Hsiang [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Nielsen, Kim [Ramboll, Copenhagen (Denmark); Ruehl, Kelley [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bunnik, Tim [MARIN (Netherlands); Touzon, Imanol [Tecnalia (Spain); Nam, Bo Woo [KRISO (Korea, Rep. of); Kim, Jeong Seok [KRISO (Korea, Rep. of); Janson, Carl Erik [Chalmers University (Sweden); Jakobsen, Ken-Robert [EDRMedeso (Norway); Crowley, Sarah [WavEC (Portugal); Vega, Luis [Hawaii Natural Energy Institute (United States); Rajagopalan, Krishnakimar [Hawaii Natural Energy Institute (United States); Mathai, Thomas [Glosten (United States); Greaves, Deborah [Plymouth University (United Kingdom); Ransley, Edward [Plymouth University (United Kingdom); Lamont-Kane, Paul [Queen' s University Belfast (United Kingdom); Sheng, Wanan [University College Cork (Ireland); Costello, Ronan [Wave Venture (United Kingdom); Kennedy, Ben [Wave Venture (United Kingdom); Thomas, Sarah [Floating Power Plant (Denmark); Heras, Pilar [Floating Power Plant (Denmark); Bingham, Harry [Technical University of Denmark (Denmark); Kurniawan, Adi [Aalborg University (Denmark); Kramer, Morten Mejlhede [Aalborg University (Denmark); Ogden, David [INNOSEA (France); Girardin, Samuel [INNOSEA (France); Babarit, Aurelien [EC Nantes (France); Wuillaume, Pierre-Yves [EC Nantes (France); Steinke, Dean [Dynamic Systems Analysis (Canada); Roy, Andre [Dynamic Systems Analysis (Canada); Beatty, Scott [Cascadia Coast Research (Canada); Schofield, Paul [ANSYS (United States); Kim, Kyong-Hwan [KRISO (Korea, Rep. of); Jansson, Johan [KTH Royal Inst. of Technology, Stockholm (Sweden); BCAM (Spain); Hoffman, Johan [KTH Royal Inst. of Technology, Stockholm (Sweden)

    2017-10-16

    This is the first joint reference paper for the Ocean Energy Systems (OES) Task 10 Wave Energy Converter modeling verification and validation group. The group is established under the OES Energy Technology Network program under the International Energy Agency. OES was founded in 2001 and Task 10 was proposed by Bob Thresher (National Renewable Energy Laboratory) in 2015 and approved by the OES Executive Committee EXCO in 2016. The kickoff workshop took place in September 2016, wherein the initial baseline task was defined. Experience from similar offshore wind validation/verification projects (OC3-OC5 conducted within the International Energy Agency Wind Task 30) [1], [2] showed that a simple test case would help the initial cooperation to present results in a comparable way. A heaving sphere was chosen as the first test case. The team of project participants simulated different numerical experiments, such as heave decay tests and regular and irregular wave cases. The simulation results are presented and discussed in this paper.

  10. Occupation number dependence of molecular energy levels

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.; Ferreira, R.

    1977-08-01

    The Roothaan expression for the energy of a closed-shell molecular system is generalized in order to apply to open shells. A continuous variation from 0 to 2 is supposed for each level's occupation number, extending to this range tbe correction due to the spurious repulsion appearing in the half-electron method. The characteristic equations of the Xα method are applied to the energy expressions. The one level case is discussed in detail. Ionic and excited states of the 1,3 transbutadiene π system are analyzed

  11. The international magnetic fusion energy program

    Energy Technology Data Exchange (ETDEWEB)

    Fowler, T.K.

    1988-10-06

    In May of 1988, the long tradition of international cooperation in magnetic fusion energy research culminated in the initiation of design work on the International Thermonuclear Experimental Reactor (ITER). If eventually constructed in the 1990s, ITER would be the world's first magnetic fusion reactor. This paper discusses the background events that led to ITER and the present status of the ITER activity. This paper presents a brief summary of the technical, political, and organizational activities that have led to the creation of the ITER design activity. The ITER activity is now the main focus of international cooperation in magnetic fusion research and one of the largest international cooperative efforts in all of science. 2 refs., 12 figs.

  12. Modeling molecular boiling points using computed interaction energies.

    Science.gov (United States)

    Peterangelo, Stephen C; Seybold, Paul G

    2017-12-20

    The noncovalent van der Waals interactions between molecules in liquids are typically described in textbooks as occurring between the total molecular dipoles (permanent, induced, or transient) of the molecules. This notion was tested by examining the boiling points of 67 halogenated hydrocarbon liquids using quantum chemically calculated molecular dipole moments, ionization potentials, and polarizabilities obtained from semi-empirical (AM1 and PM3) and ab initio Hartree-Fock [HF 6-31G(d), HF 6-311G(d,p)], and density functional theory [B3LYP/6-311G(d,p)] methods. The calculated interaction energies and an empirical measure of hydrogen bonding were employed to model the boiling points of the halocarbons. It was found that only terms related to London dispersion energies and hydrogen bonding proved significant in the regression analyses, and the performances of the models generally improved at higher levels of quantum chemical computation. An empirical estimate for the molecular polarizabilities was also tested, and the best models for the boiling points were obtained using either this empirical polarizability itself or the polarizabilities calculated at the B3LYP/6-311G(d,p) level, along with the hydrogen-bonding parameter. The results suggest that the cohesive forces are more appropriately described as resulting from highly localized interactions rather than interactions between the global molecular dipoles.

  13. German atomic energy law in the international framework

    International Nuclear Information System (INIS)

    Pelzer, N.

    1992-01-01

    The regional conference was devoted to the legal problems that ensue from German reunification against the background of the integration of German atomic energy law within international law. The elements of national atomic energy legislation required by international law and recent developments in international nuclear liability law were discussed from different perspectives. The particular problems of the application of the German Atomic Energy Act in the 5 new Laender (the territories of the former GDR) were presented and discussed, namely: The continued validity of old licences issued by the GDR; practical legal problems connected with the construction of nuclear power plants in the 5 new Laender; the legal issues connected with the final repository for radioactive wastes at Morsleben; and the new developments in radiation protection law following from the Unification Treaty and the new ICRP recommendations. All 14 lectures have been abstracted and indexed individually. (orig.) [de

  14. Nuclear energy and non proliferation. The role of the International Atomic Energy Agency

    International Nuclear Information System (INIS)

    Cooley, J.; Rauf, T.

    2008-01-01

    This article discusses the role of the International Atomic Energy Agency (IAEA) in the prevention of the spread of nuclear weapons. The IAEA verifies States compliance with their non-proliferation commitments through the application of safeguards on their civilian nuclear programmes to ensure that they are being used solely for peaceful purposes. The IAEA safeguards have evolved in the course of five decades and have become an integral part of the international non-proliferation regime and the global security system. To continue to serve the international community, they need to continue to move with the times, especially in light of the renewed interest in nuclear energy. (Author)

  15. Monte Carlo simulation of energy deposition by low-energy electrons in molecular hydrogen

    Science.gov (United States)

    Heaps, M. G.; Furman, D. R.; Green, A. E. S.

    1975-01-01

    A set of detailed atomic cross sections has been used to obtain the spatial deposition of energy by 1-20-eV electrons in molecular hydrogen by a Monte Carlo simulation of the actual trajectories. The energy deposition curve (energy per distance traversed) is quite peaked in the forward direction about the entry point for electrons with energies above the threshold of the electronic states, but the peak decreases and broadens noticeably as the electron energy decreases below 10 eV (threshold for the lowest excitable electronic state of H2). The curve also assumes a very symmetrical shape for energies below 10 eV, indicating the increasing importance of elastic collisions in determining the shape of the curve, although not the mode of energy deposition.

  16. Selective excitation, relaxation, and energy channeling in molecular systems

    International Nuclear Information System (INIS)

    Rhodes, W.C.

    1993-08-01

    Research involves theoretical studies of response, relaxation, and correlated motion in time-dependent behavior of large molecular systems ranging from polyatomic molecules to protein molecules in their natural environment. Underlying theme is subsystem modulation dynamics. Main idea is that quantum mechanical correlations between components of a system develop with time, playing a major role in determining the balance between coherent and dissipative forces. Central theme is interplay of coherence and dissipation in determining the nature of dynamic structuring and energy flow in molecular transformation mechanisms. Subsystem equations of motion are being developed to show how nonlinear, dissipative dynamics of a particular subsystem arise from correlated interactions with the rest of the system (substituent groups, solvent, lattice modes, etc.); one consequence is resonance structures and networks. Quantum dynamics and thermodynamics are being applied to understand control and energy transfer mechanisms in biological functions of protein molecules; these mechanisms are both global and local. Besides the above theory, the research deals with phenomenological aspects of molecular systems

  17. Provisions relating to Nuclear Energy. II - International Conventions

    International Nuclear Information System (INIS)

    This book published by the Portuguese Junta de Energia Nuclear (Nuclear Energy Commission) reproduces in Portuguese and in the original language (English or French), texts of a series of international conventions in the nuclear field and the Statutes of international nuclear organisations and undertakings. The following are among the texts included: the Statutes of the IAEA, NEA, Eurochemic; the Euratom Treaty; the Tlatelolco Treaty; the co-operation agreement between Portugal and the United States on the peaceful uses of nuclear energy. (NEA) [fr

  18. The international legal regime governing the peaceful uses of nuclear energy

    International Nuclear Information System (INIS)

    Talaie, F.

    2004-01-01

    This paper studies the legal regime governing the peaceful uses of nuclear energy. It addresses the issue of the prevention of the use by states of the nuclear weapons (as the most destructive weapon of mass destruction) and their elimination as the main purpose for maintaining international peace and security.Then, the paper presents examples of peaceful applications of nuclear energy. It points out that the peaceful uses of nuclear materials and technology are not hampered by obligation of States not to divert these materials into nuclear weapons. In this context, the paper analyses the provisions of the main international and regional treaties related to the nuclear energy (especially the Treaty on Non-proliferation of Nuclear Weapons and the Regional Treaty of TLATELOLCO). It also examines the international mechanism for monitoring the peaceful uses of nuclear energy and in particular studies the role of the International Atomic Energy Agency in the prevention of the proliferation of nuclear weapons through the application of safeguards agreements and the additional protocol to these agreements. One special part of the paper is dedicated to Iran and the peaceful uses of nuclear energy. The paper concludes that the existing rules of international law do not prevent any State from using and applying nuclear energy and technology for peaceful uses. These rules only make such uses subject to a comprehensive verification mechanism through the International Atomic Energy Agency safeguards agreements and the additional protocol the these agreements

  19. Heavy-quark free energies, internal-energy and entropy contributions

    International Nuclear Information System (INIS)

    Kaczmarek, O.

    2009-01-01

    We present lattice QCD results on heavy-quark free energies, extract from its temperature dependence the entropy and internal-energy contributions, and discuss the onset of medium effects that lead to screening of static quark-antiquark sources in a thermal medium. The detailed analysis of the temperature and distance dependence of the different contributions indicate the complex non-perturbative nature of strongly interacting matter. We shall discuss the necessity to include those effects in studies on the behavior of heavy quarks, heavy-quark bound states and their dissociation in the quark-gluon plasma phase. (orig.)

  20. The International Atomic Energy Agency - IAEA

    International Nuclear Information System (INIS)

    Pezzutti, A.A.C.

    1980-01-01

    The origens, functions and objectives of the IAEA are analysed. The application of safeguards to avoid military uses of nuclear energy is discussed. In the final section the agrement between Brazil and Germany regarding IAEA safeguards, as well as the competence for executing the brazilian program are explained. It is, then, an informative study dealing with nuclear energy and its peaceful path, the creation of International Fuel Cycle Evaluation and nonproliferation [pt

  1. International Cooperation and Energy/Environment crisis

    International Nuclear Information System (INIS)

    Clo, A.

    2009-01-01

    A combination of old and new tensions led to a new energy crisis. This crisis is very difficult to solve due to the multiple interests and the global and sovranational nature of its interdependent dimensions (economic, political and environmental). In a deep global economic crisis context, the challenges posed to the modern world by energy and the environment have to be faced with the international cooperation and dialogue, as it was in the past. [it

  2. Hierarchical modeling of molecular energies using a deep neural network

    Science.gov (United States)

    Lubbers, Nicholas; Smith, Justin S.; Barros, Kipton

    2018-06-01

    We introduce the Hierarchically Interacting Particle Neural Network (HIP-NN) to model molecular properties from datasets of quantum calculations. Inspired by a many-body expansion, HIP-NN decomposes properties, such as energy, as a sum over hierarchical terms. These terms are generated from a neural network—a composition of many nonlinear transformations—acting on a representation of the molecule. HIP-NN achieves the state-of-the-art performance on a dataset of 131k ground state organic molecules and predicts energies with 0.26 kcal/mol mean absolute error. With minimal tuning, our model is also competitive on a dataset of molecular dynamics trajectories. In addition to enabling accurate energy predictions, the hierarchical structure of HIP-NN helps to identify regions of model uncertainty.

  3. International bulletin on atomic and molecular data for fusion. No. 47

    International Nuclear Information System (INIS)

    Botero, J.

    1993-12-01

    This bulletin, published by the IAEA, provides atomic and molecular data references relevant to fusion research and technology. In part I the indexation of the papers is provided separately for (i) structure and spectra, (ii) atomic and molecular collisions, and (iii) surface interactions. Part II contains the bibliographic data for the above-listed topics and for high-energy laser and beam-matter interaction of atomic particles with fields. Also included are sections on atomic and molecular data needs for fusion research and on news about ALADDIN (A Labelled Atomic Data INterface) and evaluated data bases

  4. Proceedings of the International Symposium on Renewable Energy: Environment Protection and Energy Solution

    International Nuclear Information System (INIS)

    2006-12-01

    The International Symposium and Exhibition on Renewable Energy 2003 organized by the Malaysian Institute of Energy (INTEM), the Malaysia Energy centre (PTM), Islamic Scientific, Education, and Cultural Organization (ISESCO), World Renewable Energy Network (WREN), Ministry of Energy, Communication and Multimedia, and the Ministry of Education, Malaysia has the following objectives (a) highlighting the role of renewable in meeting the energy demand particularly of developing countries (b) encouraging the effective transfer and efficient application of economic renewable energy technologies (c) assisting in the promotion of the environmental benefits of renewable energy (d) promoting business opportunities for renewable energy projects and their successful implementation (e) enhancing improved information, knowledge and education on renewable energy (f) providing a technical exhibition where manufacturers, suppliers and others can display their products and services and finally (h) providing a focal points for international networking. The topics covered are Solar Materials, Solar Thermal Applications, Photovoltaic technology, Biomass Conversion, Hydrogen and Fuel Cells, Wind Energy, Hydro Energy, Climate and the Environment, Low Energy Architecture, related Topics (Energy Management; Economics, Policy and Financing; Sustainable Energy Business Practices, Carbon tax and trading, Gender and Poverty Reduction). A total of 97 papers have been received from countries such as Malaysia, United States of America, United Kingdom, Azerbaijan, Bangladesh, Armenia, Romania, Denmark, Bahrain, Iraq, Italy, Saudi Arabia, Egypt, Libya, Australia, Brunei, Belgium, New Zealand, Indonesia, Singapore, Thailand, India, Iran, Russia, and Turkey

  5. The international law and the pacific uses of the atomic energy

    International Nuclear Information System (INIS)

    Mora, A.; Gutierrez, I.; Vargas, N.M.

    1992-01-01

    Contains information about: fundamental aspects of atomic energy; International Atomic Energy Agency; pacific uses of nuclear energy at national and international level; regulation for some risky activities in the pacific uses of radioactive materials; United Nations system for the secure use of atomic energy with pacific purposes; nuclear accidents; responsibility as fundamental element of nuclear law. 207 refs

  6. International Voluntary Renewable Energy Markets (Presentation)

    Energy Technology Data Exchange (ETDEWEB)

    Heeter, J.

    2012-06-01

    This presentation provides an overview of international voluntary renewable energy markets, with a focus on the United States and Europe. The voluntary renewable energy market is the market in which consumers and institutions purchase renewable energy to match their electricity needs on a voluntary basis. In 2010, the U.S. voluntary market was estimated at 35 terawatt-hours (TWh) compared to 300 TWh in the European market, though key differences exist. On a customer basis, Australia has historically had the largest number of customers, pricing for voluntary certificates remains low, at less than $1 megawatt-hour, though prices depend on technology.

  7. Proceedings of the 10. international conference on energy - the new energy infrastructures market

    International Nuclear Information System (INIS)

    1998-01-01

    The main focus of this international conference was on reform and deregulation of the electrical industry and how these will impact on energy markets around the world. Energy source development, power project financing in developing countries, integration of energy market and partnering in the energy projects development in a global context, were some of the individual topics that received considerable attention. tabs., figs

  8. International energy options: an agenda for the 1980s

    Energy Technology Data Exchange (ETDEWEB)

    Tempest, P [ed.

    1981-01-01

    Selected papers from the conference are presented under section headings on: global dilemma; government response to the energy crisis; world power politics; capital constraints and opportunities; productivity and employment; energy demand; energy supply; risks and the need for contingency planning; and international energy policies.

  9. Inauguration of the international Institute of the nuclear energy

    International Nuclear Information System (INIS)

    Anon.

    2011-01-01

    On June 27, 2011 was inaugurated in Saclay (France) the I2EN (international Institute of the nuclear energy) and the Jannus platform. The I2EN has to particularly centralize and relay, at the international scale, the French formations offer in the field of nuclear energy. On the other hand, the Jannus platform is an example of cooperation between research organisms and universities. (O.M.)

  10. Internal wave energy radiated from a turbulent mixed layer

    Energy Technology Data Exchange (ETDEWEB)

    Munroe, James R., E-mail: jmunroe@mun.ca [Department of Physics and Physical Oceanography, Memorial University of Newfoundland, St. John' s, Newfoundland A1B 3X7 (Canada); Sutherland, Bruce R., E-mail: bsuther@ualberta.ca [Departments of Physics and Earth and Atmospheric Sciences, University of Alberta, Edmonton, Alberta T6G 2R3 (Canada)

    2014-09-15

    We examine mixed-layer deepening and the generation of internal waves in stratified fluid resulting from turbulence that develops in response to an applied surface stress. In laboratory experiments the stress is applied over the breadth of a finite-length tank by a moving roughened conveyor belt. The turbulence in the shear layer is characterized using particle image velocimetry to measure the kinetic energy density. The internal waves are measured using synthetic schlieren to determine their amplitudes, frequencies, and energy density. We also perform fully nonlinear numerical simulations restricted to two dimensions but in a horizontally periodic domain. These clearly demonstrate that internal waves are generated by transient eddies at the integral length scale of turbulence and which translate with the background shear along the base of the mixed layer. In both experiments and simulations we find that the energy density of the generated waves is 1%–3% of the turbulent kinetic energy density of the turbulent layer.

  11. On the International Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Eklund, S [International Atomic Energy Agency, Vienna (Austria)

    1963-07-15

    The main concepts motivating the decision to establish an international agency for peaceful uses of atomic energy are presented in the paper. They consists of: 1) co-ordination in the fields of safety field, legal liability and safeguards; 2) ensuring that scientific and technical data are made freely accessible on a worldwide scale and 3) assisting the developing countries in benefiting from this new science and technology and use the atomic energy for economic and social development

  12. Multiphoton ionization as a probe of molecular photofragmentation: statistical and dynamical energy partitioning in the multiphoton dissociation of nitromethane

    International Nuclear Information System (INIS)

    Rockney, B.H.

    1982-01-01

    Multiphoton ionization (MPI) appears in its first use as a probe of laser-induced photofragmentation. Specifically, MPI here reveals the internal and translational energy content of the nascent fragments from the infrared multiphoton dissociation (MPD) of nitromethane (CH 3 NO 2 ). The apparatus for this work consists of a pulsed supersonic molecular beam crossed by two pulsed and focused lasers - a CO 2 laser to induce collision-free unimolecular dissociation of CH 3 NO 2 , and a tunable dye laser following immediately to ionize selectively one of the pair of dissociation fragments for detection by a mass spectrometer and particle multiplier. A computer simulation of each fragment's MPI spectrum, a series of four photon resonances to members of the npsigma/sub u/ Rydberg state of NO 2 and three photon resonances to two vibrational members of the #betta# 1 Rydberg state of CH 3 , aids in determining the fragment's internal energy content. The dye laser is delayed and its focus is traced through a small quarter circle centered at the focus of the CO 2 laser. The flight times of the fragments from the point of dissociation and their laboratory scattering angular distributions at fixed ionizing laser wavelength provide their center of mass recoil velocity distributions. The energy deposited in the fragments evidences a striking mixture of statistical and dynamical energy partitioning. The statistical RRKM theory of unimolecular decomposition accurately predicts the amount of internal energy found in the fragments

  13. Investigation of international energy economics. [Use of econometric model EXPLOR

    Energy Technology Data Exchange (ETDEWEB)

    Deonigi, D.E.; Clement, M.; Foley, T.J.; Rao, S.A.

    1977-03-01

    The Division of International Affairs of the Energy Research and Development Administration is assessing the long-range economic effects of energy research and development programs in the U.S. and other countries, particularly members of the International Energy Agency (IEA). In support of this effort, a program was designed to coordinate the capabilities of five research groups--Rand, Virginia Polytechnic Institute, Brookhaven National Laboratory, Lawrence Livermore Laboratory, and Pacific Northwest Laboratory. The program could evaluate the international economics of proposed or anticipated sources of energy. This program is designed to be general, flexible, and capable of evaluating a diverse collection of potential energy (nuclear and nonnuclear) related problems. For example, the newly developed methodology could evaluate the international and domestic economic impact of nuclear-related energy sources, but also existing nonnuclear and potential energy sources such as solar, geothermal, wind, etc. Major items to be included would be the cost of exploration, cost of production, prices, profit, market penetration, investment requirements and investment goods, economic growth, change in balance of payments, etc. In addition, the changes in cost of producing all goods and services would be identified for each new energy source. PNL developed (1) a means of estimating the demands for major forms of energy by country, and (2) a means of identifying results or impacts on each country. The results for each country were then to be compared to assess relative advantages. PNL relied on its existing general econometric model, EXPLOR, to forecast the demand for energy by country. (MCW)

  14. Report of the fourth International Workshop on molecular blood group genotyping

    NARCIS (Netherlands)

    Daniels, G.; van der Schoot, C. E.; Olsson, M. L.

    2011-01-01

    The fourth International Society of Blood Transfusion (ISBT) workshop on molecular blood group genotyping was held in 2010, with a feedback meeting at the ISBT Congress in Berlin, Germany. Fifty laboratories participated, 17 more than in 2008. Six samples were distributed. Samples 1-3 were DNA

  15. Coronal Flux Rope Catastrophe Associated With Internal Energy Release

    Science.gov (United States)

    Zhuang, Bin; Hu, Youqiu; Wang, Yuming; Zhang, Quanhao; Liu, Rui; Gou, Tingyu; Shen, Chenglong

    2018-04-01

    Magnetic energy during the catastrophe was predominantly studied by the previous catastrophe works since it is believed to be the main energy supplier for the solar eruptions. However, the contribution of other types of energies during the catastrophe cannot be neglected. This paper studies the catastrophe of the coronal flux rope system in the solar wind background, with emphasis on the transformation of different types of energies during the catastrophe. The coronal flux rope is characterized by its axial and poloidal magnetic fluxes and total mass. It is shown that a catastrophe can be triggered by not only an increase but also a decrease of the axial magnetic flux. Moreover, the internal energy of the rope is found to be released during the catastrophe so as to provide energy for the upward eruption of the flux rope. As far as the magnetic energy is concerned, it provides only part of the energy release, or even increases during the catastrophe, so the internal energy may act as the dominant or even the unique energy supplier during the catastrophe.

  16. Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals.

    Science.gov (United States)

    Kroonblawd, Matthew P; Sewell, Thomas D; Maillet, Jean-Bernard

    2016-02-14

    In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linear and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock.

  17. Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals

    International Nuclear Information System (INIS)

    Kroonblawd, Matthew P.; Sewell, Thomas D.; Maillet, Jean-Bernard

    2016-01-01

    In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linear and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock

  18. Characteristics of energy exchange between inter- and intramolecular degrees of freedom in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with implications for coarse-grained simulations of shock waves in polyatomic molecular crystals

    Science.gov (United States)

    Kroonblawd, Matthew P.; Sewell, Thomas D.; Maillet, Jean-Bernard

    2016-02-01

    In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting initial distributions of energy between the intra- and intermolecular DoF. The results are used to parameterize a coarse-grained Dissipative Particle Dynamics at constant Energy (DPDE) model for TATB. Each TATB molecule in the DPDE model is represented as an all-atom, rigid-molecule mesoparticle, with explicit external (molecular translational and rotational) DoF and coarse-grained implicit internal (vibrational) DoF. In addition to conserving linear and angular momentum, the DPDE equations of motion conserve the total system energy provided that particles can exchange energy between their external and internal DoF. The internal temperature of a TATB molecule is calculated using an internal equation of state, which we develop here, and the temperatures of the external and internal DoF are coupled using a fluctuation-dissipation relation. The DPDE force expression requires specification of the input parameter σ that determines the rate at which energy is exchanged between external and internal DoF. We adjusted σ based on the predictions for relaxation processes obtained from MD simulations. The parameterized DPDE model was employed in large-scale simulations of shock compression of TATB. We show that the rate of energy exchange governed by σ can significantly influence the transient behavior of the system behind the shock.

  19. Nuclear energy and international organizations

    International Nuclear Information System (INIS)

    Lindemann, B.

    1975-01-01

    The historical perspectives of the international organizations' role concerning the development and spreading of the peaceful uses of nuclear energy, taking into account the national interests within and towards these organizations, are portrayed. The difference in political status between the so-called nuclear and non-nuclear States, lodged in Articles I and II of the Non-Proliferation Treaty is an important factor. The effects so far of these differences in status on the interest of nuclear States to participate in organizations and on factors which might possibly lead to conflict between these two groups are presented. The author skirts the cooperation between organizations (international bureaucracies, group-formation of states). (HP/LN) [de

  20. Proceedings of the international conference on molecular spectroscopy of advanced materials and biomolecules

    International Nuclear Information System (INIS)

    Sajan, D.

    2012-01-01

    This conference was an effort towards exploring advanced applications, with emphasis on recent trends in the Infrared and Raman spectra of advanced materials and biomolecules. The conference topics focused on a wide range of molecular spectroscopy, yet connected with molecular biological systems and materials. As molecular spectroscopy is finding tremendous significance in various fields of materials science, biomedical, pharmaceutical, planetary, mineral and forensic sciences, IMSAB 2012, provided a very dynamic and interactive platform for the international scientific community specializing in the field. Papers relevant to INIS are indexed separately

  1. The international framework for safeguarding peaceful nuclear energy programs

    International Nuclear Information System (INIS)

    Mazer, B.M.

    1980-01-01

    International law, in response to the need for safeguard assurances, has provided a framework which can be utilized by supplier and recipient states. Multilateral treaties have created the International Atomic Energy Agency which can serve a vital role in the establishment and supervision of safeguard agreements for nuclear energy programs. The Non-Proliferation Treaty has created definite obligations on nuclear-weapon and non-nuclear weapon states to alleviate some possibilities of proliferation and has rejuvenated the function of the IAEA in providing safeguards, especially to non-nuclear-weapon states which are parties to the Non-Proliferation treaty. States which are not parties to the Non-Proliferation Treaty may receive nuclear energy co-operation subject to IAEA safeguards. States like Canada, have insisted through the bilateral nuclear energy co-operation agreements that either individual or joint agreement be reached with the IAEA for the application of safeguards. Trilateral treaties among Canada, the recipient state and the IAEA have been employed and can provide the necessary assurances against the diversion of peaceful nuclear energy programs to military or non-peaceful uses. The advent of the Nuclear Suppliers Group and its guidlines has definitely advanced the cause of ensuring peaceful uses of nuclear energy. The ultimate objective should be the creation of an international structure incorporating the application of the most comprehensive safeguards which will be applied universally to all nuclear energy programs

  2. Effect of Internal Heteroatoms on Level Alignment at Metal/Molecular Monolayer/Si Interfaces

    NARCIS (Netherlands)

    Alon, Hadas; Garrick, Rachel; Pujari, Sidharam P.; Toledano, Tal; Sinai, Ofer; Kedem, Nir; Bendikov, Tatyana; Baio, Joe E.; Weidner, Tobias; Zuilhof, Han; Cahen, David; Kronik, Leeor; Sukenik, Chaim N.; Vilan, Ayelet

    2018-01-01

    Molecular monolayers at metal/semiconductor heterointerfaces affect electronic energy level alignment at the interface by modifying the interface's electrical dipole. On a free surface, the molecular dipole is usually manipulated by means of substitution at its external end. However, at an interface

  3. Suppressing Energy Loss due to Triplet Exciton Formation in Organic Solar Cells: The Role of Chemical Structures and Molecular Packing

    KAUST Repository

    Chen, Xiankai; Wang, Tonghui; Bredas, Jean-Luc

    2017-01-01

    In the most efficient solar cells based on blends of a conjugated polymer (electron donor) and a fullerene derivative (electron acceptor),ultrafast formation of charge-transfer (CT) electronic states at the donor-acceptor interfaces and efficient separation of these CT states into free charges, lead to internal quantum efficiencies near 100%. However, there occur substantial energy losses due to the non-radiative recombinations of the charges, mediated by the loweset-energy (singlet and triplet) CT states; for example, such recombinations can lead to the formation of triplet excited electronic states on the polymer chains, which do not generate free charges. This issue remains a major factor limiting the power conversion efficiencies (PCE) of these devices. The recombination rates are, however, difficult to quantify experimentally. To shed light on these issues, here, an integrated multi-scale theoretical approach that combines molecular dynamics simulations with quantum chemistry calculations is employed in order to establish the relationships among chemical structures, molecular packing, and non-radiative recombination losses mediated by the lowest-energy charge-transfer states.

  4. Suppressing Energy Loss due to Triplet Exciton Formation in Organic Solar Cells: The Role of Chemical Structures and Molecular Packing

    KAUST Repository

    Chen, Xiankai

    2017-04-21

    In the most efficient solar cells based on blends of a conjugated polymer (electron donor) and a fullerene derivative (electron acceptor),ultrafast formation of charge-transfer (CT) electronic states at the donor-acceptor interfaces and efficient separation of these CT states into free charges, lead to internal quantum efficiencies near 100%. However, there occur substantial energy losses due to the non-radiative recombinations of the charges, mediated by the loweset-energy (singlet and triplet) CT states; for example, such recombinations can lead to the formation of triplet excited electronic states on the polymer chains, which do not generate free charges. This issue remains a major factor limiting the power conversion efficiencies (PCE) of these devices. The recombination rates are, however, difficult to quantify experimentally. To shed light on these issues, here, an integrated multi-scale theoretical approach that combines molecular dynamics simulations with quantum chemistry calculations is employed in order to establish the relationships among chemical structures, molecular packing, and non-radiative recombination losses mediated by the lowest-energy charge-transfer states.

  5. Nuclear power issue as seen by the International Energy Agency

    International Nuclear Information System (INIS)

    Kelly, P.

    1976-01-01

    An account is given of the work of the International Energy Agency towards reducing the dependence of member states on imported oil. Forecasts of energy consumption are discussed, and the contributions that could be made by various energy sources, and by energy conservation, are examined. It is concluded that nuclear power is essential to a reduced dependence policy. The constraints on full realization of national nuclear programmes are stated as follows: licensing delays, waste disposal, financing, uranium supply, and fuel services. Ways in which these could be overcome by national and international action are suggested. Reference is made to the work of other atomic energy agencies: IAEA and OECD Nuclear Energy Agency. (U.K.)

  6. Molecular states of HeH/sup +/. Energies and dynamical couplings

    Energy Technology Data Exchange (ETDEWEB)

    Macias, A.; Riera, A.; Yanez, M.

    1983-01-01

    We complete the molecular results reported in a previous paper by presenting additional energies (for /sup 1,3/..sigma.. states) and radial couplings (between '..sigma.. states) of the HeH/sup +/ system. These results are needed to treat elastic and inelastic charge-exchange processes when full account is taken of momentum-transfer problems. We also present a formalism to calculate radial couplings between wave functions computed with the use of different variational methods and basis sets. The detailed form of the radial couplings is discussed and related to the Barat-Lichten correlation diagram. The effect of using finite basis sets in calculatig degenerate molecular energies is also discussed.

  7. International Energy Outlook 2016 With Projections to 2040

    Energy Technology Data Exchange (ETDEWEB)

    Conti, John [USDOE Energy Information Administration (EIA), Washington, DC (United States). Office of Petroleum, Natural Gas, and Biofuels Analysis; Holtberg, Paul [USDOE Energy Information Administration (EIA), Washington, DC (United States). Analysis Integration Team; Diefenderfer, Jim [USDOE Energy Information Administration (EIA), Washington, DC (United States). Office of Electricity, Coal, Nuclear, and Renewables Analysis; LaRose, Angelina [USDOE Energy Information Administration (EIA), Washington, DC (United States). Office of Integrated and International Energy Analysis; Turnure, James T. [USDOE Energy Information Administration (EIA), Washington, DC (United States). Office of Energy Consumption and Efficiency Analysis; Westfall, Lynn [USDOE Energy Information Administration (EIA), Washington, DC (United States). Office of Energy Markets and Financial Analysis

    2016-05-01

    The International Energy Outlook 2016 (IEO2016) presents an assessment by the U.S. Energy Information Administration (EIA) of the outlook for international energy markets through 2040. U.S. projections appearing in IEO2016 are consistent with those published in EIA’s Annual Energy Outlook 2015 (AEO2015). IEO2016 is provided as a service to energy managers and analysts, both in government and in the private sector. The projections are used by international agencies, federal and state governments, trade associations, and other planners and decisionmakers. They are published pursuant to the Department of Energy Organization Act of 1977 (Public Law 95-91), Section 205(c). The IEO2016 energy consumption projections are divided according to Organization for Economic Cooperation and Development members (OECD) and nonmembers (non-OECD). OECD members are divided into three basic country groupings: OECD Americas (United States, Canada, and Mexico/Chile), OECD Europe, and OECD Asia (Japan, South Korea, and Australia/New Zealand). Non-OECD countries are divided into five separate regional subgroups: non-OECD Europe and Eurasia (which includes Russia); non-OECD Asia (which includes China and India); Middle East; Africa; and non-OECD Americas (which includes Brazil). In some instances, the IEO2016 energy production models have different regional aggregations to reflect important production sources (for example, Middle East OPEC is a key region in the projections for liquids production). Complete regional definitions are listed in Appendix M. IEO2016 focuses exclusively on marketed energy. Nonmarketed energy sources, which continue to play an important role in some developing countries, are not included in the estimates. The IEO2016 projections are based on existing U.S. and foreign government laws and regulations. In general, IEO2016 reflects the effects of current policies—often stated through regulations—within the projections. EIA analysts attempt to interpret the

  8. Quantum computing applied to calculations of molecular energies

    Czech Academy of Sciences Publication Activity Database

    Pittner, Jiří; Veis, L.

    2011-01-01

    Roč. 241, - (2011), 151-phys ISSN 0065-7727. [National Meeting and Exposition of the American-Chemical-Society (ACS) /241./. 27.03.2011-31.03.2011, Anaheim] Institutional research plan: CEZ:AV0Z40400503 Keywords : molecular energie * quantum computers Subject RIV: CF - Physical ; Theoretical Chemistry

  9. Molecular dynamics simulations and free energy profile of ...

    Indian Academy of Sciences (India)

    aDepartment of Chemical Engineering, bDepartment of Chemistry, Amirkabir University of Technology,. 15875-4413 ... Lipid bilayers; Paracetamol; free energy; molecular dynamics simulation; membrane. 1. ..... bilayer is less favourable due to the hydrophobic nature .... Orsi M and Essex J W 2010 Soft Matter 6 3797. 54.

  10. Energy loss of charged particles to molecular gas targets

    International Nuclear Information System (INIS)

    Sigmund, P.

    1976-01-01

    The energy loss spectrum of fast charged particles penetrating a dilute molecular gas target has been analysed theoretically, with a homogeneous gas mixture in the state of complete dissociation as a reference standard. It is shown that the geometrical structure of molecules causes the energy-loss straggling and higher moments over the energy-loss spectrum to be greater than the corresponding quantities for a completely dissociated gas of equal composition. Such deviations from additivity are shown to be most pronounced at energies around the stopping-power maximum. There is found supporting evidence in the experimental literature. (Auth.)

  11. Peptide Free Energy Landscapes Calibrated by Molecular Orbital Calculations

    OpenAIRE

    Ono, S.; Kuroda, M.; Higo, J.; Kamiya, N.; Nakajima, N.; Nakamura, H.

    2002-01-01

    Free energy landscapes of peptide conformations werecalibrated by ab initiomolecular orbital calculations, after enhancedconformational sampling using the multicanonical molecular dynamicssimulations. Three different potentials of mean force for an isolateddipeptide were individually obtained using the conventional force fields,AMBER parm94, AMBER parm96, and CHARMm22. Each potential ofmean force was calibrated based on the umbrella sampling algorithm fromthe adiabatic energy map that was cal...

  12. An algorithm for mass matrix calculation of internally constrained molecular geometries

    International Nuclear Information System (INIS)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-01

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model

  13. An algorithm for mass matrix calculation of internally constrained molecular geometries.

    Science.gov (United States)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-28

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model.

  14. Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.

    Science.gov (United States)

    Cawkwell, M J; Niklasson, Anders M N

    2012-10-07

    Born-Oppenheimer molecular dynamics simulations with long-term conservation of the total energy and a computational cost that scales linearly with system size have been obtained simultaneously. Linear scaling with a low pre-factor is achieved using density matrix purification with sparse matrix algebra and a numerical threshold on matrix elements. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] yields microcanonical trajectories with the approximate forces obtained from the linear scaling method that exhibit no systematic drift over hundreds of picoseconds and which are indistinguishable from trajectories computed using exact forces.

  15. Summary report of IAEA workshop on atomic and molecular data for fusion energy research

    International Nuclear Information System (INIS)

    Clark, R.E.H.

    2007-02-01

    A workshop on Atomic and Molecular (A+M) Data for Fusion Energy Research was held at the International Centre for Theoretical Physics (ICTP) in Trieste, Italy, from 28 August until 8 September 2006. The workshop was attended by fourteen students and three ICTP associates representing eleven Member States. A total of eight lecturers, including six external to the Agency, made presentations to the workshop. All lecturers provided advance copies of the lecture materials, and provided written assignments for the students to provide practical examples of applications of data issues to actual problems related to fusion energy research. All materials were collected on CDs, which were distributed to the students at the conclusion of the workshop. During the course of the workshop, the students were given the opportunity to describe their background and research interests. The workshop did arouse interest in A+M processes related to fusion, and was viewed as successful by both the students and lecturers. (author)

  16. Collisional energy dependence of molecular ionization by metastable rare gas atoms

    International Nuclear Information System (INIS)

    Martin, R.M.; Parr, T.P.

    1979-01-01

    The collisional energy dependence of several molecular total ionization cross sections by metastable rare gas atoms was studied over the thermal energy region using the crossed molecular beam time-of-flight method. Results are reported for the collision systems He, Ne, and Ar ionizing the geometric isomers cis- and trans-dichloroethylene and ortho- and para-dichlorobenzene. The He ionization cross sections oscillate about an energy dependence of E/sup -1/2/ over the energy range 0.004--1.0 eV, and the Ar*+para-dichlorobenzene cross section oscillates about an energy dependence of E/sup -2/5/ over the energy range 0.011--0.64 eV. The remaining systems are characterized by ''bent'' E/sup -m/ dependences with m values of 0.56--0.70 at low energies changing to 0.07--0.29 at higher energies. Comparison with the slopes of the He* systems and the Ar*+para-dichlorobenzene system shows that the ''bent'' and ''oscillating'' energy dependences are similar except for the form of the cross section functions at the lowest energies. No systematic differences are found between the cross section energy dependences for ionization of different geometric isomers or for ionization by the different metastable rare gas atoms

  17. Photoswitchable Molecular Rings for Solar-Thermal Energy Storage.

    Science.gov (United States)

    Durgun, E; Grossman, Jeffrey C

    2013-03-21

    Solar-thermal fuels reversibly store solar energy in the chemical bonds of molecules by photoconversion, and can release this stored energy in the form of heat upon activation. Many conventional photoswichable molecules could be considered as solar thermal fuels, although they suffer from low energy density or short lifetime in the photoinduced high-energy metastable state, rendering their practical use unfeasible. We present a new approach to the design of chemistries for solar thermal fuel applications, wherein well-known photoswitchable molecules are connected by different linker agents to form molecular rings. This approach allows for a significant increase in both the amount of stored energy per molecule and the stability of the fuels. Our results suggest a range of possibilities for tuning the energy density and thermal stability as a function of the type of the photoswitchable molecule, the ring size, or the type of linkers.

  18. Environmental protection and international law: the case of nuclear energy

    International Nuclear Information System (INIS)

    Dagicour, F.

    2002-03-01

    Given the very hazardous nature of its activity, the nuclear industry has often been considered to be without a future. Concerns over climate change and increasing international energy needs have, however, shone a new light on the positive aspects of nuclear energy. As the only clean, stable and inexpensive energy source, available, nuclear energy promises a constant supply of electricity while protecting the atmosphere. This new relationship between the environment and nuclear energy calls for an analysis of the international regulation of the risks posed by nuclear energy production. Since the beginning of the nuclear age, the long term, unknown, and large geographic scope of the risks and effects of this activity have led to the adoption of a set of normative rules outside of the scope of international environmental law. The norms that now regulate this new, ultra-hazardous activity resulted in a set of rules aimed at protecting the environment in the face of high risk activities that now form the heart of international environmental law. Unwilling relinquish national sovereignty, States adopted a system of non-binding regulation to protect the environment and promote the nuclear industry. The Chernobyl accident later pointed to the weakness of this approach. Despite this weakness, the adoption of a soft law approach has led to progress in environmental protection in an area where States have been loathe to give up their sovereignty. (author)

  19. Scalable Quantum Simulation of Molecular Energies

    Directory of Open Access Journals (Sweden)

    P. J. J. O’Malley

    2016-07-01

    Full Text Available We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen using two distinct quantum algorithms. First, we experimentally execute the unitary coupled cluster method using the variational quantum eigensolver. Our efficient implementation predicts the correct dissociation energy to within chemical accuracy of the numerically exact result. Second, we experimentally demonstrate the canonical quantum algorithm for chemistry, which consists of Trotterization and quantum phase estimation. We compare the experimental performance of these approaches to show clear evidence that the variational quantum eigensolver is robust to certain errors. This error tolerance inspires hope that variational quantum simulations of classically intractable molecules may be viable in the near future.

  20. DTU international energy report 2013. Energy storage options for future sustainable energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Hvidtfeldt Larsen, H.; Soenderberg Petersen, L. (eds.)

    2013-11-01

    One of the great challenges in the transition to a non-fossil energy system with a high share of fluctuating renewable energy sources such as solar and wind is to align consumption and production in an economically satisfactory manner. Energy storage could provide the necessary balancing power to make this possible. This energy report addresses energy storage from a broad perspective: It analyses smaller stores that can be used locally in for example heat storage in the individual home or vehicle, such as electric cars or hydrogen cars. The report also addresses decentralized storage as flywheels and batteries linked to decentralized energy systems. In addition it addresses large central storages as pumped hydro storage and compressed air energy storage and analyse this in connection with international transmission and trading over long distances. The report addresses electrical storage, thermal storage and other forms of energy storage, for example conversion of biomass to liquid fuel and conversion of solar energy directly into hydrogen, as well as storage in transmission, grid storage etc. Finally, the report covers research, innovation and the future prospects and addresses the societal challenges and benefits of the use of energy storage. (Author)

  1. On the nature of intramolecular vibrational energy transfer in dense molecular environments

    Energy Technology Data Exchange (ETDEWEB)

    Benten, Rebekka S. von [Institut fuer Physikalische Chemie der Universitaet Goettingen, Tammannstrasse 6, D-37077 Goettingen (Germany); Abel, Bernd, E-mail: Bernd.Abel@uni-lepzig.de [Wilhelm-Ostwald-Institut fuer Physikalische und Theoretische Chemie, Universitaet Leipzig, Linne-Strasse 2, D-04103 Leipzig (Germany)

    2010-12-09

    Graphical abstract: Mechanisms of IVR in multi-tiers of intramolecular energy levels in different molecular environments are investigated. - Abstract: Transient femtosecond-IR-pump-UV-absorption probe-spectroscopy has been employed to shed light on the nature of intramolecular vibrational energy transfer (IVR) in dense molecular environments ranging from the diluted gas phase to the liquid. A general feature in our experiments and those of others is that IVR proceeds via multiple timescales if overtones or combination vibrations of high frequency modes are excited. It has been found that collisions enhance IVR if its (slower) timescales can compete with collisions. This enhancement is, however, much more weaker and rather inefficient as opposed to the effect of collisions on intermolecular energy transfer which is well known. In a series of experiments we found that IVR depends not significantly on the average energy transferred in a collision but rather on the number of collisions. The collisions are much less efficient in affecting IVR than VET. We conclude that collision induced broadening of vibrational energy levels reduces the energy gaps and enhances existing couplings between tiers. The present results are an important step forward to rationalize and understand apparently different and not consistent results from different groups on different molecular systems between gas and liquid phases.

  2. Background and perspective on rapid progress and deepening of international development of nuclear industry-composition of international nuclear energy business 'cooperation and competition'

    International Nuclear Information System (INIS)

    Kano, Tokio; Kanda, Keji; Ishizuka, Nobuo

    2005-01-01

    Based on the recognition that international development of nuclear industry was important by a viewpoint of international cooperation to neighboring Asian area and also it was the trump that defeated a feeling of domestic confinement, the Japan Atomic Industrial Forum (JAIF) founded Nuclear energy international development gathering' in November 2004. On that occasion our magazine (March, 2005 issue) featured 'prospects and problem of the international development of nuclear energy use'. Slightly for half a year afterwards this nuclear energy international development has been rapidly deepened and become a close-up as a policy of an important strategy of the field of nuclear energy that the government and the private sector were united to make. Therefore the nuclear energy international development was secondly featured from multidirectional points of view such as a background of nuclear energy international development, composition of international nuclear energy business, a main strategy of three makers, approach of finance / a business firm. (T. Tanaka)

  3. International human cooperation in Japan Atomic Energy Research Institute

    International Nuclear Information System (INIS)

    Shiba, Koreyuki; Kaieda, Keisuke; Makuuchi, Keizo; Takada, Kazuo; Nomura, Masayuki

    1997-01-01

    Rearing of talented persons in the area of nuclear energy is one of the important works in Japan Atomic Energy Research Institute. In this report, the present situations and future schedules of international human cooperation in this area wsere summarized. First, the recent activities of International Nuclear Technology Center were outlined in respect of international human cooperation. A study and training course which was started in cooperation with JICA and IAEA from the middle of eighties and the international nuclear safety seminar aiming at advancing the nuclear safety level of the world are now being put into practice. In addition, a study and training for rearing talented persons was started from 1996 to improve the nuclear safety level of the neighbouring countries. The activities of the nuclear research interchange system by Science and Technology Agency established in 1985 and Bilateral Co-operation Agreement from 1984 were explained and also various difficulties in the international cooperation were pointed out. (M.N.)

  4. Learning molecular energies using localized graph kernels

    Science.gov (United States)

    Ferré, Grégoire; Haut, Terry; Barros, Kipton

    2017-03-01

    Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. We benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

  5. Study on Properties of Energy Spectra of the Molecular Crystals

    Science.gov (United States)

    Pang, Xiao-Feng; Chen, Xiang-Rong

    The energy-spectra of nonlinear vibration of molecular crystals such as acetanilide have been calculated by using discrete nonlinear Schrödinger equation appropriate to the systems, containing various interactions. The energy levels including higher excited states are basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide. We further give the features of distribution of the energy-spectra for the acetanilide. Using the energy spectra we also explained well experimental results obtained by Careri et al..

  6. In vitro molecular machine learning algorithm via symmetric internal loops of DNA.

    Science.gov (United States)

    Lee, Ji-Hoon; Lee, Seung Hwan; Baek, Christina; Chun, Hyosun; Ryu, Je-Hwan; Kim, Jin-Woo; Deaton, Russell; Zhang, Byoung-Tak

    2017-08-01

    Programmable biomolecules, such as DNA strands, deoxyribozymes, and restriction enzymes, have been used to solve computational problems, construct large-scale logic circuits, and program simple molecular games. Although studies have shown the potential of molecular computing, the capability of computational learning with DNA molecules, i.e., molecular machine learning, has yet to be experimentally verified. Here, we present a novel molecular learning in vitro model in which symmetric internal loops of double-stranded DNA are exploited to measure the differences between training instances, thus enabling the molecules to learn from small errors. The model was evaluated on a data set of twenty dialogue sentences obtained from the television shows Friends and Prison Break. The wet DNA-computing experiments confirmed that the molecular learning machine was able to generalize the dialogue patterns of each show and successfully identify the show from which the sentences originated. The molecular machine learning model described here opens the way for solving machine learning problems in computer science and biology using in vitro molecular computing with the data encoded in DNA molecules. Copyright © 2017. Published by Elsevier B.V.

  7. Free energy landscape and molecular pathways of gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu, E-mail: tsli@gwu.edu [Department of Civil and Environmental Engineering, George Washington University, Washington DC 20052 (United States)

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p{sub B} histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p{sub B} histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  8. Free energy landscape and molecular pathways of gas hydrate nucleation

    International Nuclear Information System (INIS)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-01-01

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  9. Free energy landscape and molecular pathways of gas hydrate nucleation.

    Science.gov (United States)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  10. Evolution of energy labelling: analysis of international dynamics

    International Nuclear Information System (INIS)

    Malandrino, Ornella; Roca, Emmanuele

    2005-01-01

    Currently there are large variety of tools that play a very important role in providing benchmarks for sustainability performance of products and guidance for consumers. The present paper analyses the most important programme related to energy labelling, a market based instrument mainly addressed to consumers, certifying that a specific product is energy efficient. Particular attention has been given to International and European Union Labels of the consumption of energy and other resources by household appliances, to the energy efficient labelling programmes for office equipment and the certification schemes of energy performance of buildings

  11. INORE: The International Network on Offshore Renewable Energy

    International Nuclear Information System (INIS)

    Martini, Michele; De Andrén, Andrés

    2015-01-01

    The International Network on Offshore Renewable Energy (INORE) is a non-profit organization run by volunteers. INORE was born to support early stage researchers in the offshore renewable energy field. Today, INORE has more than 1200 members from more than 70 different countries. The aim of this organization is to facilitate networking and information exchange between young researchers and professionals. This is achieved by arranging symposia, workshops, networking events and issuing scholarships. Three main knowledge areas are currently within INORE’s dedication: sea wave energy, tidal current energy and offshore wind energy.

  12. Atomic and Molecular Data activities at NDC/JAERI

    International Nuclear Information System (INIS)

    Shirai, Toshizo

    2000-01-01

    The NDC/JAERI is a member of the international atomic and molecular (A+M) data center network for fusion, coordinated by the International Atomic Energy Agency. In this poster we introduce our Evaluated Atomic and Molecular Data Library (JEAMDL) developed in collaboration with the JAERI Research Committee on A+M Data and with researchers of ORNL and NIST under the US-Japan fusion cooperation program. JEAMDL comprises databases of collision cross section data and of spectroscopic data. We briefly summarize these two databases below. (author)

  13. Internal energy selection in vacuum ultraviolet photoionization of ethanol and ethanol dimers

    Science.gov (United States)

    Bodi, Andras

    2013-10-01

    Internal energy selected ethanol monomer and ethanol dimer ions were prepared by threshold photoionization of a supersonic molecular beam seeded with ethanol. The dissociative photoionization processes of the monomer, the lowest-energy CH3-loss channel of the dimer, and the fragmentation of larger clusters were found to be disjunct from the ionization onset to about 12 eV, which made it possible to determine the 0 K appearance energy of C-C bond breaking in the H-donor unit of the ethanol dimer cation as 9.719 ± 0.004 eV. This reaction energy is used together with ab initio calculations in a thermochemical cycle to determine the binding energy change from the neutral ethanol dimer to a protonated ethanol-formaldehyde adduct. The cycle also shows general agreement between experiment, theory, and previously published enthalpies of formation. The role of the initial ionization site, or rather the initial photoion state, is also discussed based on the dimer breakdown diagram and excited state calculations. There is no evidence for isolated state behavior, and the ethanol dimer dissociative photoionization processes appear to be governed by statistical theory and the ground electronic state of the ion. In the monomer breakdown diagram, the smoothly changing branching ratio between H and CH3 loss is at odds with rate theory predictions, and shows that none of the currently employed few-parameter rate models, appropriate for experimental rate curve fitting, yields a correct description for this process in the experimental energy range.

  14. Internal energy relaxation in shock wave structure

    International Nuclear Information System (INIS)

    Josyula, Eswar; Suchyta, Casimir J.; Boyd, Iain D.; Vedula, Prakash

    2013-01-01

    The Wang Chang-Uhlenbeck (WCU) equation is numerically integrated to characterize the internal structure of Mach 3 and Mach 5 shock waves in a gas with excitation in the internal energy states for the treatment of inelastic collisions. Elastic collisions are modeled with the hard sphere collision model and the transition rates for the inelastic collisions modified appropriately using probabilities based on relative velocities of the colliding particles. The collision integral is evaluated by the conservative discrete ordinate method [F. Tcheremissine, “Solution of the Boltzmann kinetic equation for high-speed flows,” Comput. Math. Math. Phys. 46, 315–329 (2006); F. Cheremisin, “Solution of the Wang Chang-Uhlenbeck equation,” Dokl. Phys. 47, 487–490 (2002)] developed for the Boltzmann equation. For the treatment of the diatomic molecules, the internal energy modes in the Boltzmann equation are described quantum mechanically given by the WCU equation. As a first step in the treatment of the inelastic collisions by the WCU equation, a two- and three-quantum system is considered to study the effect of the varying of (1) the inelastic cross section and (2) the energy gap between the quantum energy states. An alternative method, the direct simulation Monte Carlo method, is used for the Mach 3 shock wave to ensure the consistency of implementation in the two methods and there is an excellent agreement between the two methods. The results from the WCU implementation showed consistent trends for the Mach 3 and Mach5 standing shock waves simulations. Inelastic contributions change the downstream equilibrium state and allow the flow to transition to the equilibrium state further upstream

  15. Beam Flutter and Energy Harvesting in Internal Flow

    Science.gov (United States)

    Tosi, Luis Phillipe; Colonius, Tim; Sherrit, Stewart; Lee, Hyeong Jae

    2017-11-01

    Aeroelastic flutter, largely studied for causing engineering failures, has more recently been used as a means of extracting energy from the flow. Particularly, flutter of a cantilever or an elastically mounted plate in a converging-diverging flow passage has shown promise as an energy harvesting concept for internal flow applications. The instability onset is observed as a function of throat velocity, internal wall geometry, fluid and structure material properties. To enable these devices, our work explores features of the fluid-structure coupled dynamics as a function of relevant nondimensional parameters. The flutter boundary is examined through stability analysis of a reduced order model, and corroborated with numerical simulations at low Reynolds number. Experiments for an energy harvester design are qualitatively compared to results from analytical and numerical work, suggesting a robust limit cycle ensues due to a subcritical Hopf bifurcation. Bosch Corporation.

  16. Specifications of the International Atomic Energy Agency's international project on safety assessment driven radioactive waste management solutions

    International Nuclear Information System (INIS)

    Ghannadi, M.; Asgharizadeh, F.; Assadi, M. R.

    2008-01-01

    Radioactive waste is produced in the generation of nuclear power and the production and use of radioactive materials in the industry, research, and medicine. The nuclear waste management facilities need to perform a safety assessment in order to ensure the safety of a facility. Nuclear safety assessment is a structured and systematic way of examining a proposed facility, process, operation and activity. In nuclear waste management point of view, safety assessment is a process which is used to evaluate the safety of radioactive waste management and disposal facilities. In this regard the International Atomic Energy Agency is planed to implement an international project with cooperation of some member states. The Safety Assessment Driving Radioactive Waste Management Solutions Project is an international programme of work to examine international approaches to safety assessment in aspects of p redisposal r adioactive waste management, including waste conditioning and storage. This study is described the rationale, common aspects, scope, objectives, work plan and anticipated outcomes of the project with refer to International Atomic Energy Agency's documents, such as International Atomic Energy Agency's Safety Standards, as well as the Safety Assessment Driving Radioactive Waste Management Solutions project reports

  17. Gravitational attraction until relativistic equipartition of internal and translational kinetic energies

    Science.gov (United States)

    Bulyzhenkov, I. E.

    2018-02-01

    Translational ordering of the internal kinematic chaos provides the Special Relativity referents for the geodesic motion of warm thermodynamical bodies. Taking identical mathematics, relativistic physics of the low speed transport of time-varying heat-energies differs from Newton's physics of steady masses without internal degrees of freedom. General Relativity predicts geodesic changes of the internal heat-energy variable under the free gravitational fall and the geodesic turn in the radial field center. Internal heat variations enable cyclic dynamics of decelerated falls and accelerated takeoffs of inertial matter and its structural self-organization. The coordinate speed of the ordered spatial motion takes maximum under the equipartition of relativistic internal and translational kinetic energies. Observable predictions are discussed for verification/falsification of the principle of equipartition as a new basic for the ordered motion and self-organization in external fields, including gravitational, electromagnetic, and thermal ones.

  18. Obsolete or resurgent? The International Energy Agency in a changing global landscape

    International Nuclear Information System (INIS)

    Van de Graaf, Thijs

    2012-01-01

    Founded in response to the 1973 oil shock, the International Energy Agency (IEA) is arguably still the most important multilateral organization for energy-importing countries. Yet, the global geopolitical landscape has changed considerably since the IEA's creation. The rise of new energy consumers, new energy-related challenges and new international energy forums prompt a rethink of the agency's current role and institutional design. This article seeks to contribute to the recent debate on the future role of the IEA by examining specific drivers, avenues and constraints for institutional reform. The method used is SWOT analysis, which allows to summarize the key factors emanating from an assessment of an organization's internal characteristics (strengths and weaknesses) and its external environment (opportunities and threats). Building on this SWOT analysis, the article formulates a strategy for the IEA to remain the focal point in global energy governance. Key elements of this strategy include: stronger engagement with new consumers, rapprochement with OPEC, becoming a leading voice in the energy transition, and changing the agency's internal governance practices. - Highlights: ► The IEA is challenged by the rise of new consumers, threats and organizations. ► Assessment of the agency’s internal characteristics and external environment. ► The IEA needs to step up its outreach policy and fully embrace sustainable energy.

  19. Report of the International Consultative Group on Nuclear Energy

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

    The International Consultative Groups on Nuclear Energy adopted as its working premise the proposition that nuclear power will play a significant part in meeting future energy needs in an increasing number of countries. The Group's concern has been to examine the international political and economic conditions under which civil nuclear activities may be conducted safely, rationally, and in a manner generally acceptable to the world community. The views are presented in sections entitled: Energy and Nuclear Power; Establishing Nuclear Options; Nuclear Safety and the Public Interest; Nuclear Trade and Nuclear Proliferation; Conditions for the Future in which five conditions are summarized. The Group believes that if nuclear power is to be available to meet an increasing fraction of the world's future energy needs, nuclear power must, despite the difficulty of the sort-term climate, be systematically developed, without interruption or undue delay; earn and retain public acceptance; present technologies for using uranium more efficiently and be developed and tested as soon as possible, with both the coming decades and the 21st century in mind; be less feared; and convince countries depending on nuclear technology, services, or materials of continued international access to them under safeguards, on acceptable terms

  20. Compendium of structure and collision data in the first 12 issues of the international bulletin on atomic and molecular data for fusion

    International Nuclear Information System (INIS)

    Katsonis, K.; Rumble, J. Jr.

    1980-06-01

    This document is a compendium of the structure, spectra and collision data in the first 12 issues of the International Bulletin on Atomic and Molecular Data for Fusion. The Bulletin is issued quarterly by the International Atomic Energy Agency to assist the development of fusion research and technology. Not included in this compendium are those parts of the Bulletin concerned with Surface Effects, Work in Progress, Contributed Numerical Data, and Data Requests. Where necessary, corrections have been made to the data previously published to make the compendium as accurate as possible. The editors would appreciate any information on errors, duplications or omissions which would make future compendia more accurate and useful. (author)

  1. HIGH-ENERGY COSMIC-RAY DIFFUSION IN MOLECULAR CLOUDS: A NUMERICAL APPROACH

    International Nuclear Information System (INIS)

    Fatuzzo, M.; Melia, F.; Todd, E.; Adams, F. C.

    2010-01-01

    The propagation of high-energy cosmic rays (CRs) through giant molecular clouds constitutes a fundamental process in astronomy and astrophysics. The diffusion of CRs through these magnetically turbulent environments is often studied through the use of energy-dependent diffusion coefficients, although these are not always well motivated theoretically. Now, however, it is feasible to perform detailed numerical simulations of the diffusion process computationally. While the general problem depends upon both the field structure and particle energy, the analysis may be greatly simplified by dimensionless analysis. That is, for a specified purely turbulent field, the analysis depends almost exclusively on a single parameter-the ratio of the maximum wavelength of the turbulent field cells to the particle gyration radius. For turbulent magnetic fluctuations superimposed over an underlying uniform magnetic field, particle diffusion depends on a second dimensionless parameter that characterizes the ratio of the turbulent to uniform magnetic field energy densities. We consider both of these possibilities and parametrize our results to provide simple quantitative expressions that suitably characterize the diffusion process within molecular cloud environments. Doing so, we find that the simple scaling laws often invoked by the high-energy astrophysics community to model CR diffusion through such regions appear to be fairly robust for the case of a uniform magnetic field with a strong turbulent component, but are only valid up to ∼50 TeV particle energies for a purely turbulent field. These results have important consequences for the analysis of CR processes based on TeV emission spectra associated with dense molecular clouds.

  2. Global Trends of International Mergers and Acquisitions in the Energy Sector

    Directory of Open Access Journals (Sweden)

    Liubov Galperina

    2017-03-01

    Full Text Available The article explores conditions, factors and results of mergers and acquisitions in international business with the example of the energy industry. The directions of world energy market transformation in the framework of PESTLE analysis have been determined by the factors influencing the efficiency and future of the companies that have effected mergers and acquisitions. The transformation of the global energy market is associated with changes in the main market parameters that affect the sectoral and regional structure of international mergers and acquisitions. Including: growing demand for energy from the growing population of the planet, including due to an increase in the middle class share; fluctuation of world oil market prices; the growth of supply of shale oil changing the transnational flows of trade in primary petroleum products; rising demand for renewable energy as a result of cheapening technologies and diversification policies; the growth of renewable energy sources supply; increase in demand for atomic energy; improvement of energy infrastructure; introduction of energy efficient and low carbon technologies; introduction of safe technologies by energy companies; reduction of transaction costs in power grids due to optimization of modes at application of Smart Grid at all levels (local, on-site, regional, national, international; the expansion of the world-leading countries in the primary energy markets; demonopolization of national energy markets and liberalization of energy markets of the EU, USA, Japan, South Korea, Australia, etc. The world market of mergers and acquisitions has been characterized with the definition of key features of its development. International mergers and acquisitions in the energy sector are analysed on the basis of regional and industry characteristics. The international mergers and acquisitions in the energy sector has been analysed, taking into account the main scenarios for the development of the

  3. 4th International Conference on Energy and Environment 2013 (ICEE 2013)

    Science.gov (United States)

    Chakrabarty, Chandan Kumar; Shamsuddin, Abd Halim Bin; Ahmad, Ibrahim Bin; Desa, Mohamed Nor Bin Mohamed; Din, Norashidah Bte Md; Bte Mohd, Lariyah; Hamid, Nasri A.; See, Ong Hang; Hafiz Nagi, Farrukh; Yong, Lee Choon; Pasupuleti, Jagadeesh; Mei, Goh Su; Abdullah, Fairuz Bin; Satgunam, Meenaloshini

    2013-06-01

    The 4th International Conference on Energy & Environment 2013 (ICEE2013) was organized by the Universiti Tenaga Nasional (UNITEN) to provide a platform for creating and sharing ideas among engineers, researchers, scientists, industrialists and students in sustainable green energy and technologies. The theme 'Shaping a Sustainable Future through Advancement in Green Energy Technology' is in line with the University's vision to be a leading global energy university that shapes a sustainable future. The general scopes of the conference are renewable energy, smart grid, green technology, energy policies and economics, sustainable green energy and environment, sustainable education, international cooperation and innovation and technology transfer. Five international keynote speakers delivered their speeches in specialized areas of green energy technology and sustainability. In addition, the conference highlights several special parallel sessions by notable invited presenters in their niche areas, which are: Hybrid Energy Power Quality & Distributed Energy Smart Grid Nuclear Power & Technologies Geohazard Management Greener Environment for Sustainability Advances in Computational Fluid Dynamics The research papers presented in ICEE2013 are included in this volume of IOP Conference Series: Earth and Environmental Science (EES). EES is abstracted and indexed in SCOPUS, GeoBase, GeoRef, Compendex, Inspec, Chemical Abstracts Service, NASA Astrophysics Data System, and International Nuclear Information System (INIS). With the comprehensive programme outline, the organizing committee hopes that the ICEE2013 was a notable intellectual sharing session for the research and academic community in Malaysia and regionally. The organizing committee expresses gratitude to the ICEE2013 delegates for their great support and contributions to the event.

  4. Changes in the Global Energy System: Implications for China's International Strategic Environment

    Directory of Open Access Journals (Sweden)

    Zhang Chi

    2015-12-01

    Full Text Available This article briefly discusses major reasons for the slump of international oil prices and provides a prediction for the future development of international oil prices, before analyzing the three factors leading to significant changes of the global energy system, namely the eastward shift of the world energy consumption centre, the emergence of the United States as a major oil producer and the dramatic waning of the Organization of Petroleum Exporting Countries’ (OPEC influence. These factors and developments are shaping a new order of the global energy strategic landscape and exerting profound influence on China’s international strategic environment. In the foreseeable future, these changes of the global energy system would bring China more uncertainties regarding the country’s oil imports from the Middle East, more strategic pressure from the United States, while promoting China’s leverage on the global energy system and international relations.

  5. International Nuclear Information System. 1988-2002. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    2002-08-01

    This catalogue lists all sales publications and products of the International Atomic Energy Agency dealing with the International Nuclear Information System (INIS), and issued during the period 1 January 1990 - 31 July 2002. Most publications are issued in English, though some are also available in other languages. This is noted as E for English, F for French, G for German, R for Russian and S for Spanish before the relevant ISBN number. Some INIS Reference Series publications are available in electronic form from the INIS Clearinghouse. For more details on the INIS publications programme, please visit the INIS web site mentioned above

  6. International energy technology collaboration: benefits and achievements

    International Nuclear Information System (INIS)

    1996-01-01

    The IEA Energy Technology Collaboration Programme facilitates international collaboration on energy technology research, development and deployment. More than 30 countries are involved in Europe, America, Asia, Australasia and Africa. The aim is to accelerate the development and deployment of new energy technologies to meet energy security, environmental and economic development goals. Costs and resources are shared among participating governments, utilities, corporations and universities. By co-operating, they avoid unproductive duplication and maximize the benefits from research budgets. The IEA Programme results every year in hundreds of publications which disseminate information about the latest energy technology developments and their commercial utilisation. The IEA Energy Technology Collaboration Programme operates through a series of agreements among governments. This report details the activities and achievements of all 41 agreements, covering energy technology information centres and Research and Development projects in fossil fuels, renewable energy efficient end-use, and nuclear fusion technologies. (authors). 58 refs., 9 tabs

  7. International Conference SES 2006. Secure Energy Supply

    International Nuclear Information System (INIS)

    2006-01-01

    The International Conference SES 2006 (Secure Energy Supply, Bezpecna dodavka energie) was realised in Bratislava, during September 26 - 29, 2006 in the hotel Crowne Plaza and deals with most important problems of world and Slovak energetics. In work of Conference took part 108 slovak and 33 foreign participant from 11 countries of the world. Negotiations were realised in five sessions. First two days were devoted to lectures and second two days were visits of selected slovak energetic equipment. On the Conference has resounded matter of fact, that secure energy supply is extremely important subject for economy, but also for population

  8. Power transformations improve interpolation of grids for molecular mechanics interaction energies.

    Science.gov (United States)

    Minh, David D L

    2018-02-18

    A common strategy for speeding up molecular docking calculations is to precompute nonbonded interaction energies between a receptor molecule and a set of three-dimensional grids. The grids are then interpolated to compute energies for ligand atoms in many different binding poses. Here, I evaluate a smoothing strategy of taking a power transformation of grid point energies and inverse transformation of the result from trilinear interpolation. For molecular docking poses from 85 protein-ligand complexes, this smoothing procedure leads to significant accuracy improvements, including an approximately twofold reduction in the root mean square error at a grid spacing of 0.4 Å and retaining the ability to rank docking poses even at a grid spacing of 0.7 Å. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  9. Free Energy and Internal Combustion Engine Cycles

    OpenAIRE

    Harris, William D.

    2012-01-01

    The performance of one type (Carnot) of Internal Combustion Engine (ICE) cycle is analyzed within the framework of thermodynamic free energies. ICE performance is different from that of an External Combustion Engine (ECE) which is dictated by Carnot's rule.

  10. International Standards to Develop and Promote Energy Efficiency and Renewable Energy Sources

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    International Standards are a powerful tool for disseminating new technologies and good practices, developing global markets and supporting the harmonization of government policies on energy efficiency and renewable sources on a global scale.

  11. Study on low-energy sputtering near the threshold energy by molecular dynamics simulations

    Directory of Open Access Journals (Sweden)

    C. Yan

    2012-09-01

    Full Text Available Using molecular dynamics simulation, we have studied the low-energy sputtering at the energies near the sputtering threshold. Different projectile-target combinations of noble metal atoms (Cu, Ag, Au, Ni, Pd, and Pt are simulated in the range of incident energy from 0.1 to 200 eV. It is found that the threshold energies for sputtering are different for the cases of M1 < M2 and M1 ≥ M2, where M1 and M2 are atomic mass of projectile and target atoms, respectively. The sputtering yields are found to have a linear dependence on the reduced incident energy, but the dependence behaviors are different for the both cases. The two new formulas are suggested to describe the energy dependences of the both cases by fitting the simulation results with the determined threshold energies. With the study on the energy dependences of sticking probabilities and traces of the projectiles and recoils, we propose two different mechanisms to describe the sputtering behavior of low-energy atoms near the threshold energy for the cases of M1 < M2 and M1 ≥ M2, respectively.

  12. 2013 MOLECULAR ENERGY TRANSFER GORDON RESEARCH CONFERENCE (JANUARY 13-18, 2013 - VENTURA BEACH MARRIOTT, VENTURA CA

    Energy Technology Data Exchange (ETDEWEB)

    Reid, Scott A. [Marquette University

    2012-10-18

    Sessions covered all areas of molecular energy transfer, with 10 sessions of talks and poster sessions covering the areas of :  Energy Transfer in Inelastic and Reactive Scattering  Energy Transfer in Photoinitiated and Unimolecular Reactions  Non-adiabatic Effects in Energy Transfer  Energy Transfer at Surfaces and Interfaces  Energy Transfer in Clusters, Droplets, and Aerosols  Energy Transfer in Solution and Solid  Energy Transfer in Complex Systems  Energy Transfer: New vistas and horizons  Molecular Energy Transfer: Where Have We Been and Where are We Going?

  13. Global energy governance: trade, infrastructure, and the diffusion of international organizations

    OpenAIRE

    Leonardo Baccini; Veronica Lenzi; Paul W. Thurner

    2013-01-01

    Why do states choose to join and form international governmental organizations (IGOs) that regulate energy policy? In this article we make three specific contributions to the literature on international cooperation and diffusion. First, we show that countries form and join energy IGOs in response to memberships previously gained by direct competitors among oil and gas producers and consumers. Moreover, we demonstrate that energy IGOs diffuse among countries that share oil and gas pipelines. F...

  14. Financing the energy renovation of public buildings through Internal Contracting. Infinite Solutions Guidebook

    International Nuclear Information System (INIS)

    Schilken, Peter; Turner, Ian; Kuehnbach, Matthias; Simic, Ivan; Kuharic, Boris; Laranjeira, Celia; Rodrigues, Carlos; Couceiro, Carla; Presotto, Agnese; Mazzeschi, Alessandro; Cleto, Joao

    2017-02-01

    Meeting the European energy and climate policy objectives will require the mobilisation of substantial energy efficiency and renewable energy investments at the local level. Given both the substantial effort necessary to finance the energy transition and restricted municipal budgets, it is clear that these objectives cannot be met through traditional public financing such as grants or direct investment, but by finding a new approach to financing solutions. This Energy Cities guidebook is built upon a comprehensive analysis of Stuttgart's Internal Contracting scheme and a detailed questioning of it by the learning authorities within the INFINITE Solutions project. It is intended to offer guidelines to municipalities as well as universities, hospitals or other institutions interested in applying Internal Contracting to improve their energy consumption and efficiency performance. The approach of this guidebook is developed as follows: The concept of contracting - especially Internal Contracting - is introduced. Universal guidance is offered on how to implement an Internal Contracting scheme and keep it working over the long term. The Internal Contracting scheme is presented in practice. Several cities describe their individual approaches to Internal Contracting and the various ways they have been able to adapt the scheme

  15. Efficiency of Energy Transduction in a Molecular Chemical Engine

    OpenAIRE

    Sasaki, Kazuo; Kanada, Ryo; Amari, Satoshi

    2006-01-01

    A simple model of the two-state ratchet type is proposed for molecular chemical engines that convert chemical free energy into mechanical work and vice versa. The engine works by catalyzing a chemical reaction and turning a rotor. Analytical expressions are obtained for the dependences of rotation and reaction rates on the concentrations of reactant and product molecules, from which the performance of the engine is analyzed. In particular, the efficiency of energy transduction is discussed in...

  16. Molecular Diagnostics of the Internal Structure of Starspots and Sunspots

    Science.gov (United States)

    Afram, N.; Berdyugina, S. V.; Fluri, D. M.; Solanki, S. K.; Lagg, A.; Petit, P.; Arnaud, J.

    2006-12-01

    We have analyzed the usefulness of molecules as a diagnostic tool for studying solar and stellar magnetism with the molecular Zeeman and Paschen-Back effects. In the first part we concentrate on molecules that are observed in sunspots such as MgH and TiO. We present calculated molecular line profiles obtained by assuming magnetic fields of 2-3 kG and compare these synthetic Stokes profiles with spectro-polarimetric observations in sunspots. The good agreement between the theory and observations allows us to turn our attention in the second part to starspots to gain insight into their internal structure. We investigate the temperature range in which the selected molecules can serve as indicators for magnetic fields on highly active cool stars and compare synthetic Stokes profiles with our recent observations.

  17. International bulletin on atomic and molecular data for fusion. No. 49

    International Nuclear Information System (INIS)

    Botero, J.

    1995-06-01

    This issue of the bulletin provides atomic and molecular data references relevant to fusion research and technology. In part 1 the indexation of the papers is provided separately for (i) structure and spectra, (ii) atomic and molecular collisions, and (iii) surface interactions. Part 2 contains the bibliographic data for the above-listed topics and brief bibliographic lists for the following topics: (a) fusion research of general interest, (b) high energy laser- and beam-matter interaction, (c) bibliographic and numerical data collections, and (d) interaction of atomic particles with fields. Moreover, the creation of the Atomic and Molecular Data Information System (AMDIS) is announced by the IAEA. AMDIS contains three main parts: the Atomic and Molecular Bibliographic Data System (AMBDAS), the numerical database of recommended and evaluated atomic, molecular and plasma-surface interaction data ALADDIN and an electronic bulletin board with information regarding data needs, meetings and programs of the IAEA Atomic and Molecular Data Unit. AMDIS may be reached via INTERNET. For information on how to access AMDIS, an electronic mail inquiry can be sent (address: ''pms'' followed by the usual ''at'' symbol followed by ''ripcrs01.iaea.or.at'')

  18. A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments.

    Science.gov (United States)

    Sellers, Benjamin D; James, Natalie C; Gobbi, Alberto

    2017-06-26

    Reducing internal strain energy in small molecules is critical for designing potent drugs. Quantum mechanical (QM) and molecular mechanical (MM) methods are often used to estimate these energies. In an effort to determine which methods offer an optimal balance in accuracy and performance, we have carried out torsion scan analyses on 62 fragments. We compared nine QM and four MM methods to reference energies calculated at a higher level of theory: CCSD(T)/CBS single point energies (coupled cluster with single, double, and perturbative triple excitations at the complete basis set limit) calculated on optimized geometries using MP2/6-311+G**. The results show that both the more recent MP2.X perturbation method as well as MP2/CBS perform quite well. In addition, combining a Hartree-Fock geometry optimization with a MP2/CBS single point energy calculation offers a fast and accurate compromise when dispersion is not a key energy component. Among MM methods, the OPLS3 force field accurately reproduces CCSD(T)/CBS torsion energies on more test cases than the MMFF94s or Amber12:EHT force fields, which struggle with aryl-amide and aryl-aryl torsions. Using experimental conformations from the Cambridge Structural Database, we highlight three example structures for which OPLS3 significantly overestimates the strain. The energies and conformations presented should enable scientists to estimate the expected error for the methods described and we hope will spur further research into QM and MM methods.

  19. Tomorrow's Mores. The International System, Geopolitical Changes and Energy

    International Nuclear Information System (INIS)

    Hoogeveen, F.; Perlot, W.

    2005-12-01

    The objective of this study is to provide an analysis of key geopolitical changes in the international system, with particular attention for energy issues and the EU, and on the basis of this analysis define possible energy futures up until 2020. Four sub-objectives have been identified: (1) to understand the international system and the main actors shaping it; (2) to understand an actor's energy policy and how energy policy is determined; (3) to identify the most important developments within the energy system; and (4) to understand the EU's position in the changing geopolitical landscape. Chapter 2 describes the theoretical and analytical framework used for the study. In this chapter important theoretical notions and assumptions are explained. It starts with a quadrants model combining two axes of uncertainty (multilateral-uni/bilateral and politics-economy). It continues with the foundation, consisting of key factors of analysis and assumptions about an actor's energy policy, underlying the analysis and the positioning of actors in the quadrants. It also contains a section on scenario studies. Chapter 3 provides an overview of the developments in the energy sector, with a focus on challenges, risks and problems with relevance to foreign policy and geopolitics. The chapter is based on the information on energy carriers, EU energy policy and important energy issues that is discussed in further detail in Annex A, B and C, respectively. Chapter 4 analyses the geopolitical landscape, starting with a description of the international system prior to 1989. It contains an analysis of the present situation and presents three possible energy futures towards 2020. Past, present and future are analysed on the basis of the quadrants model. The chapter includes a description of the most important actors. In Chapter 5 the analysis of chapter 4 is used to look at the case of the European Union. The current place and role of the EU is discussed. The implications for the EU of a

  20. Near-surface energy transfers from internal tide beams to smaller vertical scale motions

    Science.gov (United States)

    Chou, S.; Staquet, C.; Carter, G. S.; Luther, D. S.

    2016-02-01

    Mechanical energy capable of causing diapycnal mixing in the ocean is transferred to the internal wave field when barotropic tides pass over underwater topography and generate internal tides. The resulting internal tide energy is confined in vertically limited structures, or beams. As internal tide beams (ITBs) propagate through regions of non-uniform stratification in the upper ocean, wave energy can be scattered through multiple reflections and refractions, be vertically trapped, or transferred to non-tidal frequencies through different nonlinear processes. Various observations have shown that ITBs are no longer detectable in horizontal kinetic energy beyond the first surface reflection. Importantly, this implies that some of the internal tide energy no longer propagates in to the abyssal ocean and consequently will not be available to maintain the density stratification. Using the NHM, a nonlinear and nonhydrostatic model based on the MITgcm, simulations of an ITB propagating up to the sea surface are examined in order to quantify the transformation of ITB energy to other motions. We compare and contrast the transformations enabled by idealized, smoothly-varying stratification with transformations enabled by realistic stratification containing a broad-band vertical wavenumber spectrum of variations. Preliminary two-dimensional results show that scattering due to small-scale structure in realistic stratification profiles from Hawaii can lead to energy being vertically trapped near the surface. Idealized simulations of "locally" generated internal solitary waves are analyzed in terms of energy flux transfers from the ITB to solitary waves, higher harmonics, and mean flow. The amount of internal tide energy which propagates back down after near-surface reflection of the ITB in different environments is quantified.

  1. Second European study conference on molecular low energy collisions (MOLEC II)

    Energy Technology Data Exchange (ETDEWEB)

    1978-01-01

    The conference contained 52 papers on molecular low energy collisions including nonadiabatic transitions and excited states, vibrational and rotational energy transfer, chemical reactions, dissociation and ionization, general methods, potential surfaces, electronic excitation and excited states, inelastic scattering and anisotropic potentials, chemical reactions, and Van der Waals molecules. (JFP)

  2. Assuring nuclear energy's future through international co-operation

    International Nuclear Information System (INIS)

    Upson, P.

    1999-01-01

    It is invited lecture as the introduction to the sixt international meeting entitled Nuclear Energy in Central Europe. Good commercial operation, public information and education are needed to win the confidence of the public, and to attract young people to take over the industry's founding generation. Stimulating international co-operation and transfer of best practices can assure this happens across the whole of the Europian nuclear industry

  3. International energy workshop: overview of poll responses

    International Nuclear Information System (INIS)

    Manne, A.S.; Schrattenholzer, L.; Minkoff, T.F.

    1987-01-01

    The International Energy Workshop is an informally organized group. Its general aim is to compare the most up-to-date long-term energy projections available throughout the world, and to obtain a better understanding of the reasons for their differences. The current edition of the IEW poll supersedes all previous ones, and contains only those poll responses bearing publication dates of 1984-1986. Altogether, this edition of the poll contains 192 individual responses received from 71 participating organizations. The poll covers the period 1980-2010. Appendix I contains frequency distributions for each of the eight standard IEW regions: (1) USSR and Eastern Europe, (2) China, (3) Centrally Planned Economies, Subtotal, (4) OECD, (5) OPEC, (6) Non-OPEC Developing Countries, (7) Market Economies, Subtotal, and (8) World, Total. In addition, frequency distributions are provided for four individual countries/regions: Canada, Japan, OECD Europe, and USA. Poll items 3-16 refer to individual fuel types: oil, gas, coal, hydroelectric, nuclear, solar and other renewables. To ensure international comparability, these are expressed in terms of commercial primary energy consumption, production and net trade (exports minus imports). (Author)

  4. Internal defibrillation: pain perception of low energy shocks.

    Science.gov (United States)

    Steinhaus, David M; Cardinal, Debbie S; Mongeon, Luc; Musley, Shailesh Kumar; Foley, Laura; Corrigan, Susie

    2002-07-01

    Recently, device-based low energy cardoversion shocks have been used as therapy for AF. However, discomfort from internal low energy electrical shocks is poorly understood. The aim of this study was to evaluate pain perception with low energy internal discharges. Eighteen patients with ICD devices for malignant ventricular arrhythmias were recruited to receive shocks of 0.4 and 2 J in the nonsedated state. Discharges were delivered in a blinded, random order and questionnaires were used to determine discomfort levels and tolerability. Patients perceived discharges at these energies as relatively uncomfortable, averaging a score of 7.3 on a discomfort scale of 0-10, and could not distinguish 0.4-J shocks from 2-J shocks. Second shocks were perceived as more uncomfortable than initial discharges, regardless of the order in which the shocks were delivered. Despite the perceived discomfort, 83% of patients stated that they would tolerate discharges of this magnitude once per month, and 44% would tolerate weekly discharges. Patients perceive low energy discharges as painful and cannot distinguish between shocks of 0.4 and 2 J. The results suggest that ICD systems developed to treat atrial tachyarrhythmias should minimize the number of shocks delivered to terminate an atrial tachyarrhythmia episode. The majority of the patients tolerated low energy shocks provided the discharges are infrequent (once per month).

  5. Properties of Energy Spectra of Molecular Crystals Investigated by Nonlinear Theory

    Science.gov (United States)

    Pang, Xiao-Feng; Zhang, Huai-Wu

    We calculate the quantum energy spectra of molecular crystals, such as acetanilide, by using discrete nonlinear Schrodinger equation, containing various interactions, appropriate to the systems. The energy spectra consist of many energy bands, in each energy band there are a lot of energy levels including some higher excited states. The result of energy spectrum is basically consistent with experimental values obtained by infrared absorption and Raman scattering in acetanilide and can also explain some experimental results obtained by Careri et al. Finally, we further discuss the influences of variously characteristic parameters on the energy spectra of the systems.

  6. Nuclear energy: exit or revival? International aspects

    International Nuclear Information System (INIS)

    2001-11-01

    This colloquium took place less than 1 year after the decision of the US of revival of their nuclear program. Thus the international context has changed, even if nuclear contestation remains as strong as in the past. Among governments, some positions preach the banishment of nuclear energy while others consider the nuclear option as the only solution to meet the growing up energy demand and the future environmental and economical stakes. This report makes a synthesis of the different talks given by the participants during the 3 round tables of the colloquium on the future of nuclear energy: the ecological stake, the democratic stake, and the energy policy stake. Four talks of French government representatives open and conclude the debates of the different round tables. (J.S.)

  7. Washington International Renewable Energy Conference 2008 Pledges: Methodology and Assumptions Summary

    Energy Technology Data Exchange (ETDEWEB)

    Babiuch, B.; Bilello, D. E.; Cowlin, S. C.; Mann, M.; Wise, A.

    2008-08-01

    The 2008 Washington International Renewable Energy Conference (WIREC) was held in Washington, D.C., from March 4-6, 2008, and involved nearly 9,000 people from 125 countries. The event brought together worldwide leaders in renewable energy (RE) from governments, international organizations, nongovernmental organizations, and the private sector to discuss the role that renewables can play in alleviating poverty, growing economies, and passing on a healthy planet to future generations. The conference concluded with more than 140 governments, international organizations, and private-sector representatives pledging to advance the uptake of renewable energy. The U.S. government authorized the National Renewable Energy Laboratory (NREL) to estimate the carbon dioxide (CO2) savings that would result from the pledges made at the 2008 conference. This report describes the methodology and assumptions used by NREL in quantifying the potential CO2 reductions derived from those pledges.

  8. China's conception of energy security : sources and international impacts

    Energy Technology Data Exchange (ETDEWEB)

    Constantin, C.

    2005-03-01

    The unique challenges and opportunities associated with China's rapid economic growth were discussed with reference to the potential risk of political disruption or destabilizing international markets. The author notes that two common mistakes are typically made when assessing the evolution of China's energy policy. The first is that China's future path is assimilated with that of developed countries, thereby dismissing evidence that might point toward a different relationship with energy. Second, analysts tend to focus on the external expression of China's energy needs, its oil imports, while overlooking other energy-related issues such as insufficient electricity supplies or environmental degradation. The author argues that Chinese leadership is redefining its understanding of what constitutes energy security for the country. This report assesses the international impacts of such a redefinition along with the international aspects of a business-as-usual scenario in which China pursues its traditional model of energy security. It was emphasized that two different views of energy security lead to different sets of challenges and opportunities for western governments and businesses. 101 refs., 2 figs.

  9. Comparison of calculated energy flux of internal tides with microstructure measurements

    Directory of Open Access Journals (Sweden)

    Saeed Falahat

    2014-10-01

    Full Text Available Vertical mixing caused by breaking of internal tides plays a major role in maintaining the deep-ocean stratification. This study compares observations of dissipation from microstructure measurements to calculations of the vertical energy flux from barotropic to internal tides, taking into account the temporal variation due to the spring-neap tidal cycle. The dissipation data originate from two surveys in the Brazil Basin Tracer Release Experiment (BBTRE, and one over the LArval Dispersal along the Deep East Pacific Rise (LADDER3, supplemented with a few stations above the North-Atlantic Ridge (GRAVILUCK and in the western Pacific (IZU. A good correlation is found between logarithmic values of energy flux and local dissipation in BBTRE, suggesting that the theory is able to predict energy fluxes. For the LADDER3, the local dissipation is much smaller than the calculated energy flux, which is very likely due to the different topographic features of BBTRE and LADDER3. The East Pacific Rise consists of a few isolated seamounts, so that most of the internal wave energy can radiate away from the generation site, whereas the Brazil Basin is characterised by extended rough bathymetry, leading to a more local dissipation. The results from all four field surveys support the general conclusion that the fraction of the internal-tide energy flux that is dissipated locally is very different in different regions.

  10. ''Neighbourhood'' as an international energy policy concept

    International Nuclear Information System (INIS)

    Noel, Pierre; Campaner, Nadia

    2005-01-01

    Since 2002, the concept of ''neighbourhood'' has been central to the EU thinking about the emergence of a European foreign and security policy. The relations between the EU and the countries that share - or could share in the future - a border with it, but have little or no prospects for full membership, are supposed to be structured by the emerging ''European Neighbourhood Policy'' (ENP). On the receiving end of this policy proposal are a number of countries on the Eastern edge of the Union, in the South Caucasus, East and South of the Mediterranean. The ENP is very much a ''transformationist'' agenda, with very ambitious goals of bringing about long term political and economic reforms in the neighbour countries. The ultimate goal is to promote stability and prosperity on the edges of the Union. The means for that is to exchange gradual integration into the EU common market and direct economic aid against verifiable commitments of political and economic reforms. Many neighbour countries are of great significance as energy producers, energy exporters, or transit countries to the EU. Hence the following two questions: 1) Is there an explicit energy security component - or energy motive - in the ENP. If yes, how is it structured. 2) What are the potential energy security implications of the ENP. In other words: To what extent, and through which mechanisms, would EU energy security be served by a process of economic and political reforms in the neighbour countries. It's worth extending the questioning to the study of the ''neighbourhood'' dimension in the existing EU international energy policy. It appears that the energy security thinking of the EU Commission has long been structured by the concept of ''neighbourhood''. It is then of some importance to study how the development of this policy will be affected by the implementation of the ENP. Beyond that, we develop a critical assessment of ''neighbourhood'' as a concept for energy security policies. Based on a

  11. Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

    International Nuclear Information System (INIS)

    Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen; De Meyer, Thierry; De Clerck, Karen

    2014-01-01

    A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed

  12. An energy-filtering device coupled to a quadrupole mass spectrometer for soft-landing molecular ions on surfaces with controlled energy

    Energy Technology Data Exchange (ETDEWEB)

    Bodin, A.; Laloo, R.; Abeilhou, P.; Guiraud, L.; Gauthier, S.; Martrou, D. [Nanosciences Group, CEMES, CNRS UPR 8011 and University Toulouse III - Paul Sabatier, 29 rue Jeanne Marvig, BP94347, F-31055 Toulouse Cedex 4 (France)

    2013-09-15

    We have developed an energy-filtering device coupled to a quadrupole mass spectrometer to deposit ionized molecules on surfaces with controlled energy in ultra high vacuum environment. Extensive numerical simulations as well as direct measurements show that the ion beam flying out of a quadrupole exhibits a high-energy tail decreasing slowly up to several hundred eV. This energy distribution renders impossible any direct soft-landing deposition of molecular ions. To remove this high-energy tail by energy filtering, a 127° electrostatic sector and a specific triplet lenses were designed and added after the last quadrupole of a triple quadrupole mass spectrometer. The results obtained with this energy-filtering device show clearly the elimination of the high-energy tail. The ion beam that impinges on the sample surface satisfies now the soft-landing criterion for molecular ions, opening new research opportunities in the numerous scientific domains involving charges adsorbed on insulating surfaces.

  13. Molecular-beam scattering

    International Nuclear Information System (INIS)

    Vernon, M.F.

    1983-07-01

    The molecular-beam technique has been used in three different experimental arrangements to study a wide range of inter-atomic and molecular forces. Chapter 1 reports results of a low-energy (0.2 kcal/mole) elastic-scattering study of the He-Ar pair potential. The purpose of the study was to accurately characterize the shape of the potential in the well region, by scattering slow He atoms produced by expanding a mixture of He in N 2 from a cooled nozzle. Chapter 2 contains measurements of the vibrational predissociation spectra and product translational energy for clusters of water, benzene, and ammonia. The experiments show that most of the product energy remains in the internal molecular motions. Chapter 3 presents measurements of the reaction Na + HCl → NaCl + H at collision energies of 5.38 and 19.4 kcal/mole. This is the first study to resolve both scattering angle and velocity for the reaction of a short lived (16 nsec) electronic excited state. Descriptions are given of computer programs written to analyze molecular-beam expansions to extract information characterizing their velocity distributions, and to calculate accurate laboratory elastic-scattering differential cross sections accounting for the finite apparatus resolution. Experimental results which attempted to determine the efficiency of optically pumping the Li(2 2 P/sub 3/2/) and Na(3 2 P/sub 3/2/) excited states are given. A simple three-level model for predicting the steady-state fraction of atoms in the excited state is included

  14. The pressure, internal energy, and conductivity of tantalum plasma

    Energy Technology Data Exchange (ETDEWEB)

    Apfelbaum, E.M. [Russian Academy of Sciences, Joint Institute for High Temperatures, Department of Computational Physics, Moscow (Russian Federation)

    2017-11-15

    The pressure, internal energy, and conductivity of a tantalum plasma were calculated at the temperatures 10-100 kK and densities less than 3 g/cm{sup 3}. The plasma composition, pressure, and internal energy were obtained by means of the corresponding system of the coupled mass action law equations. We have considered atom ionization up to +3. The conductivity was calculated within the relaxation time approximation. Comparisons of our results with available measurements and calculation data show good agreement in the area of correct applicability of the present model. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. Integrating global energy and climate governance: The changing role of the International Energy Agency

    International Nuclear Information System (INIS)

    Heubaum, Harald; Biermann, Frank

    2015-01-01

    Despite the long-recognized interlinkages between global energy consumption and climate change, there has historically been only limited policy interaction, let alone integration, between the two fields. This compartmentalization is mirrored in scholarship, where much research has focused on the fragmentation of, respectively, global energy and global climate governance, but only little has been said about how these fields might be integrated. Our analysis of the International Energy Agency’s (IEA) changing activities in recent years shows that governance integration – both within global energy governance and between global energy and climate governance – is now happening. The IEA has broadened its portfolio to embrace the full spectrum of energy issues, including renewable energy and climate change; it has built and is expanding key partnerships with both the UN climate convention and the International Renewable Energy Agency (IRENA); and it has become an authoritative advocate for the inter-related goals of a low-carbon transition and climate change mitigation. We show that these developments are not the result of a top-down plan, but have rather emerged through the Agency’s various efforts to pursue its energy-centric mandate in a fast-changing global policy environment. - Highlights: • Assesses integration between global energy and global climate governance. • Analyzes organizational change in the IEA and its impact on governance integration. • Discusses recent activities and advocacy by the IEA in relation to climate change.

  16. Molecular-Level Simulations of the Turbulent Taylor-Green Flow

    Science.gov (United States)

    Gallis, M. A.; Bitter, N. P.; Koehler, T. P.; Plimpton, S. J.; Torczynski, J. R.; Papadakis, G.

    2017-11-01

    The Direct Simulation Monte Carlo (DSMC) method, a statistical, molecular-level technique that provides accurate solutions to the Boltzmann equation, is applied to the turbulent Taylor-Green vortex flow. The goal of this work is to investigate whether DSMC can accurately simulate energy decay in a turbulent flow. If so, then simulating turbulent flows at the molecular level can provide new insights because the energy decay can be examined in detail from molecular to macroscopic length scales, thereby directly linking molecular relaxation processes to macroscopic transport processes. The DSMC simulations are performed on half a million cores of Sequoia, the 17 Pflop platform at Lawrence Livermore National Laboratory, and the kinetic-energy dissipation rate and the energy spectrum are computed directly from the molecular velocities. The DSMC simulations are found to reproduce the Kolmogorov -5/3 law and to agree with corresponding Navier-Stokes simulations obtained using a spectral method. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

  17. The renewable energy development framework - II. The foundations of renewable energy development: Economic foundations of renewable energies; International foundations of renewable energies; European foundations of renewable energy development; Foundations of renewable energy development in internal law

    International Nuclear Information System (INIS)

    Combes Motel, Pascale; Thebaut, Matthieu; Loic Grard; Michallet, Isabelle

    2012-01-01

    A first article analysis the reasons for the development of renewable energies (economic and environmental reasons, European commitments in terms of production objectives), how these renewable energies can be developed (acceptation by the population, administrative, technological, and financial constraints, political instruments related to market, taxes and purchase prices). A second article proposes a discussion about the way international law deals with renewable energies as far as texts as well as actors are concerned. The third article describes the European ambitions regarding renewable energies as a product of national perspectives (national action plans and projects) as well as of European perspectives (financing, integrated actions). The last article presents and comments various legal texts dealing with the development of renewable energies in France (texts concerning the right to energy, the environment law, planning tools, incentive measures)

  18. World energy resources. International Geohydroscience and Energy Research Institute

    International Nuclear Information System (INIS)

    Brown, C.E.

    2002-01-01

    World Energy Resources is an explanatory energy survey of the countries and major regions of the world, their geographic and economic settings, and significant inter-relationships. This book attempts to combine several interacting energy themes that encompass a historical development, energy issues and forecasts, economic geography, environmental programs, and world energy use. The main thrust of this book -World Energy Resources - is based on principles of energy science, applied geology, geophysics, and other environmental sciences as they relate to the exploration, exploitation, and production of resources in this country and throughout the world. This work is an analysis of the United States (USA) and world oil, gas, coal, and alternative energy resources and their associated issues, forecasts, and related policy. This book could not have been attempted without a broad geological exposure and international geographic awareness. Much information is scattered among federal and state agencies, schools, and other institutions, and this book has attempted to combine some of the vast information base. This attempt can only skim the information surface at best, but its regional and topical coverage is broad in scope. Part I introduces conventional energy resources and their historical developments, and includes chapters 1 to 7. The basic concepts and supporting facts on energy sources are presented here for the general education of energy analysts, policy makers, and scientists that desire a brief review of advanced technologies and history. Part II includes chapters 8 to 14 and provides discussions of the renewable energy sources and the available alternative energy sources and technologies to oil, gas, coal, and nuclear sources. Part III includes chapters 15 to 20 and provides an analysis of United States energy markets and forecasts through the first quarter of the 21st century, while including some world energy data. Widely-used energy forecasting models are

  19. Proceedings of the 4. international green energy conference

    International Nuclear Information System (INIS)

    Li, J.; Wang, X.Q.; Hao, Y.Z.; Zhu, L.L.

    2008-01-01

    This multi-disciplinary international conference was organized for the development and promotion of the non-polluting, renewable and sustainable energy known as green energy. It was attended by researchers, scientists, engineers, practitioners and policy makers from around the world to discuss the future direction, strategies and priorities in the field of green energy, including energy diversity with local energy resources such as solar, hydro, biomass, wind, geothermal and other renewable sources of energy. Green energy technologies have the potential to meet future energy needs while reducing environmental impact and strengthening the economy. The 3 main conference topics were: (1) renewable and green energy resources and technologies such as fuel cells, hydrogen energy, alternative fuels and green building development, (2) advanced energy systems, including power generation, distributed energy systems, energy efficiency and exergy optimization, and (3) energy, environment and sustainable development with particular focus on energy economics, greenhouse gas mitigation technologies, and energy security issues. All 135 presentations from the conference have been catalogued separately for inclusion in this database. refs., tabs., figs

  20. Energy policy of the International Energy Agency (IEA) countries. General review of the year 1990

    International Nuclear Information System (INIS)

    1992-01-01

    This book is a general review on energy policy leaded by Members countries of International Energy Agency (IEA) during the year 1990. This book describes also the trends and the recent events which have affected energy demand, energy conservation, energy efficiency, energy supply and energy source development. This annual review gives the IEA energy forecasting for the next years, till year 2001. A detailed study of energy policy in Federal Republic of Germany, Austria, Denmark, Greece, Ireland and Japan is given. The policy of fifteen another Members countries, which have been analyzed the previous years, is recapitulated and briefly brought up to date

  1. Molecular approaches to improvement of Jatropha curcas Linn. as a sustainable energy crop.

    Science.gov (United States)

    Sudhakar Johnson, T; Eswaran, Nalini; Sujatha, M

    2011-09-01

    With the increase in crude oil prices, climate change concerns and limited reserves of fossil fuel, attention has been diverted to alternate renewable energy sources such as biofuel and biomass. Among the potential biofuel crops, Jatropha curcas L, a non-domesticated shrub, has been gaining importance as the most promising oilseed, as it does not compete with the edible oil supplies. Economic relevance of J. curcas for biodiesel production has promoted world-wide prospecting of its germplasm for crop improvement and breeding. However, lack of adequate genetic variation and non-availability of improved varieties limited its prospects of being a successful energy crop. In this review, we present the progress made in molecular breeding approaches with particular reference to tissue culture and genetic transformation, genetic diversity assessment using molecular markers, large-scale transcriptome and proteome studies, identification of candidate genes for trait improvement, whole genome sequencing and the current interest by various public and private sector companies in commercial-scale cultivation, which highlights the revival of Jatropha as a sustainable energy crop. The information generated from molecular markers, transcriptome profiling and whole genome sequencing could accelerate the genetic upgradation of J. curcas through molecular breeding.

  2. Development of an International Electric Cooperative Initiative on Energy Efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Paul Clark; David South

    2004-05-01

    NRECA conceived of the International Electric Cooperative Initiative on Energy Efficiency (IECIEE) in order to provide an ongoing means of contributing voluntary actions on greenhouse gas emissions mitigation as an integral component of its international programs and projects. This required designing the IECIEE to be integrated directly with the core interests and attributes of participating cooperatives in the U.S. and Latin America, which was the initial focus area selected for the IECIEE. In the case of NRECA International, the core interests related to promoting and strengthening the electric cooperative model, which has proved highly successful in maximizing operational efficiencies in electric power generation, distribution and retailing, as compared to government-owned entities. The approach involved three basic components: (i) establishing the IECIEE mechanism, which involved setting up a functioning organizational vehicle providing for investment, management, and emissions credit accounting; (ii) developing a portfolio of projects in countries where NRECA International could effectively implement the broader mandate of cooperative development as energy efficient suppliers and distributors of electrical energy; and (iii) conducting outreach to obtain the commitment of participants and resources from U.S. and Latin American cooperatives and partnering agencies in the development financing community.

  3. Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method

    International Nuclear Information System (INIS)

    Zeng Xiancheng; Hu Hao; Hu Xiangqian; Yang Weitao

    2009-01-01

    A quantum mechanical/molecular mechanical minimum free energy path (QM/MM-MFEP) method was developed to calculate the redox free energies of large systems in solution with greatly enhanced efficiency for conformation sampling. The QM/MM-MFEP method describes the thermodynamics of a system on the potential of mean force surface of the solute degrees of freedom. The molecular dynamics (MD) sampling is only carried out with the QM subsystem fixed. It thus avoids 'on-the-fly' QM calculations and thus overcomes the high computational cost in the direct QM/MM MD sampling. In the applications to two metal complexes in aqueous solution, the new QM/MM-MFEP method yielded redox free energies in good agreement with those calculated from the direct QM/MM MD method. Two larger biologically important redox molecules, lumichrome and riboflavin, were further investigated to demonstrate the efficiency of the method. The enhanced efficiency and uncompromised accuracy are especially significant for biochemical systems. The QM/MM-MFEP method thus provides an efficient approach to free energy simulation of complex electron transfer reactions.

  4. International ministerial conference on nuclear energy in the 21st century. Presentations

    International Nuclear Information System (INIS)

    2009-01-01

    The International Ministerial Conference on Nuclear Energy in the 21st Century was held in Beijing, China, from 20 to 22 April 2009, attended by ministers, high-ranking officials and experts from 61 States and 7 international organizations, with a total of 808 participants and observers. This conference was organized by the International Atomic Energy Agency (IAEA), hosted by the Chinese Government through the China Atomic Energy Authority (CAEA), and co-sponsored by the Nuclear Energy Agency (NEA) of OECD and the China Nuclear Energy Association (CNEA). Its aim was to review the status and the prospects of nuclear energy, including the evolution of technology, and offer a forum for many countries considering the potential benefits of adding nuclear power to the energy mix. A wide range of issues has been covered during the three days' conference, including energy resources and the environment, technology available now and in the future, infrastructure development, reliable fuel supply, spent fuel and waste management. The participants exchanged views on the future role of nuclear energy by presentations, discussions and consultations. There was a broad convergence of views among participants. The goal of the conference has been achieved

  5. Rigid Body Energy Minimization on Manifolds for Molecular Docking.

    Science.gov (United States)

    Mirzaei, Hanieh; Beglov, Dmitri; Paschalidis, Ioannis Ch; Vajda, Sandor; Vakili, Pirooz; Kozakov, Dima

    2012-11-13

    Virtually all docking methods include some local continuous minimization of an energy/scoring function in order to remove steric clashes and obtain more reliable energy values. In this paper, we describe an efficient rigid-body optimization algorithm that, compared to the most widely used algorithms, converges approximately an order of magnitude faster to conformations with equal or slightly lower energy. The space of rigid body transformations is a nonlinear manifold, namely, a space which locally resembles a Euclidean space. We use a canonical parametrization of the manifold, called the exponential parametrization, to map the Euclidean tangent space of the manifold onto the manifold itself. Thus, we locally transform the rigid body optimization to an optimization over a Euclidean space where basic optimization algorithms are applicable. Compared to commonly used methods, this formulation substantially reduces the dimension of the search space. As a result, it requires far fewer costly function and gradient evaluations and leads to a more efficient algorithm. We have selected the LBFGS quasi-Newton method for local optimization since it uses only gradient information to obtain second order information about the energy function and avoids the far more costly direct Hessian evaluations. Two applications, one in protein-protein docking, and the other in protein-small molecular interactions, as part of macromolecular docking protocols are presented. The code is available to the community under open source license, and with minimal effort can be incorporated into any molecular modeling package.

  6. 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)

  7. Secondary electron emission from Au by medium energy atomic and molecular ions

    CERN Document Server

    Itoh, A; Obata, F; Hamamoto, Y; Yogo, A

    2002-01-01

    Number distributions of secondary electrons emitted from a Au metal surface have been measured for atomic and molecular ions of H sup + , He sup + , C sup + , N sup + , O sup + , H sup + sub 2 , H sup + sub 3 , HeH sup + , CO sup + and O sup + sub 2 in the energy range 0.3-2.0 MeV. The emission statistics obtained are described fairly well by a Polya function. The Polya parameter b, determining the distribution shape, is found to decrease monotonously with increasing emission yield gamma, revealing a surprising relationship of b gamma approx 1 over the different projectile species and impact energies. This finding supports certainly the electron cascading model. Also we find a strong negative molecular effect for heavier molecular ions, showing a significant reduction of gamma compared to the estimated values using constituent atomic projectile data.

  8. South Africa and nuclear energy - national and international legal aspects

    International Nuclear Information System (INIS)

    Barrie, G.N.

    1987-01-01

    This article gives an exposition of the national and international legal aspects of what appears to be a technological triumph for South Africa. The nuclear policy, facilities, aims and capabilities of the country are described, as well as its nuclear energy program and development. When the Nuclear Energy Act 92 of 1982 was promulgated, a new internal legal dispensation commenced. The main objects of the act, powers and functions of the Atomic Energy Corporation of South Africa Ltd and the Council for Nuclear Safety are stated. South Africa's official viewpoint and attitude regarding the Nuclear Non-Proliferation Treaty, the advantages and obstades to South Africa's signature and ratification of the Treaty are discussed

  9. International co-operation in the field of wind energy

    Energy Technology Data Exchange (ETDEWEB)

    Wolff, J. [VTT Energy, Espoo (Finland)

    1998-10-01

    The use of wind energy is expanding rapidly worldwide. At the end of 1996 over 6000 MW was installed and the annual increase has during the last years exceeded 1000 MW. The development is also reaching more and more countries. In order to maintain technical and commercial development international co-operation is needed to secure cost-effectiveness, reliability and safety of the technology. International recommendations, harmonisation and standardisation is promoted by several international organizations like IEA, IEC and the classification organisations

  10. A Splash to Nano-Sized Inorganic Energy-Materials by the Low-Temperature Molecular Precursor Approach.

    Science.gov (United States)

    Driess, Matthias; Panda, Chakadola; Menezes, Prashanth Wilfried

    2018-05-07

    The low-temperature synthesis of inorganic materials and their interfaces at the atomic and molecular level provides numerous opportunities for the design and improvement of inorganic materials in heterogeneous catalysis for sustainable chemical energy conversion or other energy-saving areas. Using suitable molecular precursors for functional inorganic nanomaterial synthesis allows for facile control over uniform particle size distribution, stoichiometry, and leads to desired chemical and physical properties. This minireview outlines some advantages of the molecular precursor approach in light of selected recent developments of molecule-to-nanomaterials synthesis for renewable energy applications, relevant for the oxygen evolution reaction (OER), hydrogen evolution reaction (HER) and overall water-splitting. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Asymmetric impacts of international energy shocks on macroeconomic activities

    International Nuclear Information System (INIS)

    Yeh, Fang-Yu; Hu, Jin-Li; Lin, Cheng-Hsun

    2012-01-01

    While limited by its scarcity of natural resources, the impacts of energy price changes on Taiwan's economic activities have been an important issue for social public and government authorities. This study applies the multivariate threshold model to investigate the effects of various international energy price shocks on Taiwan's macroeconomic activity. By separating energy price changes into the so-called decrease and increase regimes, we can realize different impacts of energy price changes and their shocks on economic output. The results confirm that there is an asymmetric threshold effect for the energy-output nexus. The optimal threshold levels are exactly where the oil price change is at 2.48%, the natural gas price change is at 0.66%, and the coal price change is at 0.25%. The impulse response analysis suggests that oil price and natural gas shocks have a delayed negative impact on macroeconomic activities. - Highlights: ► This study applies multivariate threshold model to investigate the effects of various international energy price shocks on Taiwan's macroeconomic activity. ► The results confirm that there is an asymmetric threshold effect for energy-output nexus. ► The optimal threshold levels are exactly found where oil price change is at 2.48%, natural gas price change is at 0.66%, and coal price change is at 0.25%.

  12. Energy transformation in molecular electronic systems

    International Nuclear Information System (INIS)

    Kasha, M.

    1985-01-01

    Our new optical pumping spectroscopy (steady state, and double-laser pulse) allows the production and study of the unstable rare tautomer in its ground and excited states, including picosecond dynamic studies. Molecules under study here included 7-azaindole (model for biological purines), 3-hydroxyflavone (model for plant flavones), lumichrome, and other heterocyclics. New detailed molecular mechanisms for proton transfer are derived, especially with catalytic assisting molecules. A new proton-transfer laser of extraordinary efficiency has become a side dividend, possibly worth of industrial development. The excited and highly reactive singlet molecular oxygen species 1 Δ/sub g/) has proven to be ubiquitous in chemical peroxide systems and in physically excited sensitizer-oxygen systems. Hyperbaric oxygen mechanisms in biology probably involve singlet oxygen. We have undertaken a spectroscopic study of tris - dibenzoylmethane chelates of Al, Gd, Eu, and Yb trivalent ions. These chelates offer a variety of electronic behaviors, from Z-effects on π-electron spin-orbital coupling (Al, Gd) to Weissman intramolecular energy transfer to 4f mestable levels (Eu, Gd). Elegant new spectroscopic resolution at 77K permits separation of tautomeric, parasitic self-absorption, dissociation, and cage effects to be resolved. 18 refs., 4 figs

  13. Brussels' new energy package. Focus on the internal market proposals

    International Nuclear Information System (INIS)

    Graeper, F.W.J.H.N.

    2007-01-01

    January 10, 2007, the European Commission presented its proposals for an integrated climate change and energy package. The proposals set out in the 'Energy Policy for Europe' document follow the Green Paper on a European Strategy for Sustainable, Competitive and Secure Energy, a consultation document launched in March 2006 by the Commission. The ideas put forward in the Green Paper have been developed and translated into a proposal for an action plan with respect to the three main objectives of a European Energy Policy: security of supply, combating climate change and the completion of the internal market for electricity and gas. This ardcle will briefly discuss the main elements of the Energy Policy for Europe proposals. The article will then focus on some aspects of the proposals for the internal energy market. In doing so it will concentrate on matters related to the natural gas market. Special attention will be given to the proposals with respect to unbundling and improved regulation of network access and the possible trade-off between the degree of unbundling and the level of regulatory involvement

  14. Fifth International Conference on High Energy Density Physics

    Energy Technology Data Exchange (ETDEWEB)

    Beg, Farhat

    2017-07-05

    The Fifth International Conference on High Energy Density Physics (ICHED 2015) was held in the Catamaran Hotel in San Diego from August 23-27, 2015. This meeting was the fifth in a series which began in 2008 in conjunction with the April meeting of the American Physical Society (APS). The main goal of this conference has been to bring together researchers from all fields of High Energy Density Science (HEDS) into one, unified meeting.

  15. The Conceptualization of Energy Security: the International Experience

    Directory of Open Access Journals (Sweden)

    Muzychenko Mykola V.

    2017-08-01

    Full Text Available The article reviews and analyzes existing interpretations of the term of «energy security», which are used by international organizations, individual countries, and foreign scientists. As result of a generalization of the numerous existing conceptual-methodical and substantive approaches to the definition of energy security, its main components and possible ways of its ensuring, it has been found that the concept of energy security includes many multifactor components that are interconnected by numerous functional linkages, including economic, political, social, and ecological aspects. The issues related to geology, geography, and time factor have impact on interpretation of energy security. But in general, energy security can be seen in a one-aspect dimension that is largely based on the security of energy supplies (availability of energy resources and in a multi-aspect dimension which, in addition to the security of energy supplies, also takes into consideration a number of other important interrelated aspects of energy security, particularly in the areas of accessibility of energy resources, energy efficiency, and environmental safety.

  16. Fluctuating hydrodynamics for multiscale modeling and simulation: energy and heat transfer in molecular fluids.

    Science.gov (United States)

    Shang, Barry Z; Voulgarakis, Nikolaos K; Chu, Jhih-Wei

    2012-07-28

    This work illustrates that fluctuating hydrodynamics (FHD) simulations can be used to capture the thermodynamic and hydrodynamic responses of molecular fluids at the nanoscale, including those associated with energy and heat transfer. Using all-atom molecular dynamics (MD) trajectories as the reference data, the atomistic coordinates of each snapshot are mapped onto mass, momentum, and energy density fields on Eulerian grids to generate a corresponding field trajectory. The molecular length-scale associated with finite molecule size is explicitly imposed during this coarse-graining by requiring that the variances of density fields scale inversely with the grid volume. From the fluctuations of field variables, the response functions and transport coefficients encoded in the all-atom MD trajectory are computed. By using the extracted fluid properties in FHD simulations, we show that the fluctuations and relaxation of hydrodynamic fields quantitatively match with those observed in the reference all-atom MD trajectory, hence establishing compatibility between the atomistic and field representations. We also show that inclusion of energy transfer in the FHD equations can more accurately capture the thermodynamic and hydrodynamic responses of molecular fluids. The results indicate that the proposed MD-to-FHD mapping with explicit consideration of finite molecule size provides a robust framework for coarse-graining the solution phase of complex molecular systems.

  17. Internal energy of HCl upon photolysis of 2-chloropropene at 193 nm investigated with time-resolved Fourier-transform spectroscopy and quasiclassical trajectories

    International Nuclear Information System (INIS)

    Chang, C.-M.; Huang, Y.-H.; Liu, S.-Y.; Lee, Y.-P.; Pombar-Perez, Marta; Martinez-Nunez, Emilio; Vazquez, Saulo A.

    2008-01-01

    Following photodissociation of 2-chloropropene (H 2 CCClCH 3 ) at 193 nm, vibration-rotationally resolved emission spectra of HCl (υ≤6) in the spectral region of 1900-2900 cm -1 were recorded with a step-scan time-resolved Fourier-transform spectrometer. All vibrational levels show a small low-J component corresponding to ∼400 K and a major high-J component corresponding to 7100-18 700 K with average rotational energy of 39± 3 11 kJ mol -1 . The vibrational population of HCl is inverted at υ=2, and the average vibrational energy is 86±5 kJ mol -1 . Two possible channels of molecular elimination producing HCl+propyne or HCl+allene cannot be distinguished positively based on the observed internal energy distribution of HCl. The observed rotational distributions fit qualitatively with the distributions of both channels obtained with quasiclassical trajectories (QCTs), but the QCT calculations predict negligible populations for states at small J. The observed vibrational distribution agrees satisfactorily with the total QCT distribution obtained as a weighted sum of contributions from both four-center elimination channels. Internal energy distributions of HCl from 2-chloropropene and vinyl chloride are compared.

  18. Kepentingan Indonesia Bergabung dengan Irena (International Renewable Energy Agency) Tahun 2014

    OpenAIRE

    Harto, Syafri; ", Zulfadli

    2016-01-01

    This research will explain about Indonesia interest joined with IRENA ( International Renewable Energy Agency). Nowadays energy condition is so far from standart of energy endurance. Indonesia energy needs still dominated by fossil energy. In 2013, Fossil Energy produces 93,4% of energy consumtion, 5,7% by renewable energy. 7% oil, 20,1% gas, 24,5% from coal. With Indonesia energy endurance and global market that affected domestic energy condition, Indonesia need to comply the national intere...

  19. International energy indicators, October-November 1981

    Science.gov (United States)

    Rossi, E., Jr.

    Detailed data are presented for energy indicators in tables and graphs. Specific international data are presented: world crude oil production, 1974 to July 1981; OPEC crude oil productive capacity; world crude oil and refined product inventory levels, 1975 through the first half of 1981; oil consumption in OFCD countries, 1975 through the first half of 1981; USSR crude oil production, 1975 through July 1981; and free world and US nuclear electricity generation, 1973 through September 1981 and current capacity. Data presented for energy indicators in the US are: US domestic oil supply and crude oil production, 1977 through March 1981; US gross imports of crude oil and products, 1973 through August 1981; landed cost of Saudi crude oil in current and 1974 dollars; US coal trade, 1975 through July 1981; US natural gas trade, 1975 through August 1981; summary of US merchandise trade, 1977 through the first half of 1981; and the energy/gross national product ratio from 1974 through the first half of 1981.

  20. Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method

    Directory of Open Access Journals (Sweden)

    N.Yoshida

    2007-09-01

    Full Text Available An analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field (MOZ-SCF method is presented. MOZ-SCF theory is one of the theories to considering the solvent effects on the solute electronic structure in solution. [Yoshida N. et al., J. Chem. Phys., 2000, 113, 4974] Molecular geometries of water, formaldehyde, acetonitrile and acetone in water are optimized by analytical energy gradient formula. The results are compared with those from the polarizable continuum model (PCM, the reference interaction site model (RISM-SCF and the three dimensional (3D RISM-SCF.

  1. Energy harvesting by dynamic unstability and internal resonance for piezoelectric beam

    Energy Technology Data Exchange (ETDEWEB)

    Lan, Chunbo; Qin, Weiyang, E-mail: 353481781@qq.com; Deng, Wangzheng [Department of Engineering Mechanics, Northwestern Polytechnical University, Xi' an 710072 (China)

    2015-08-31

    We investigated the energy harvesting of a vertical beam with tip mass under vertical excitations. We applied dynamic unstability and internal resonance to improve the efficiency of harvesting. The experiments of harmonic excitation were carried out. Results show that for the beam there exist internal resonances in the dynamically unstable and the buckling bistable cases. The dynamic unstability is a determinant for strong internal resonance or mode coupling, which can be used to create a large output from piezoelectric patches. Then, the experiments of stochastic excitation were carried out. Results prove that the internal resonance or mode coupling can transfer the excitation energy to the low order modes, mainly the first and the second one. This can bring about a large output voltage. For a stochastic excitation, it is proved that there is an optimal weight of tip mass for realizing internal resonance and producing large outputs.

  2. Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics

    Science.gov (United States)

    Lau, Gabriel V.; Hunt, Patricia A.; Müller, Erich A.; Jackson, George; Ford, Ian J.

    2015-12-01

    Atmospheric aerosols play a vital role in affecting climate by influencing the properties and lifetimes of clouds and precipitation. Understanding the underlying microscopic mechanisms involved in the nucleation of aerosol droplets from the vapour phase is therefore of great interest. One key thermodynamic quantity in nucleation is the excess free energy of cluster formation relative to that of the saturated vapour. In our current study, the excess free energy is extracted for clusters of pure water modelled with the TIP4P/2005 intermolecular potential using a method based on nonequilibrium molecular dynamics and the Jarzynski relation. The change in free energy associated with the "mitosis" or division of a cluster of N water molecules into two N/2 sub-clusters is evaluated. This methodology is an extension of the disassembly procedure used recently to calculate the excess free energy of argon clusters [H. Y. Tang and I. J. Ford, Phys. Rev. E 91, 023308 (2015)]. Our findings are compared to the corresponding excess free energies obtained from classical nucleation theory (CNT) as well as internally consistent classical theory (ICCT). The values of the excess free energy that we obtain with the mitosis method are consistent with CNT for large cluster sizes but for the smallest clusters, the results tend towards ICCT; for intermediate sized clusters, we obtain values between the ICCT and CNT predictions. Furthermore, the curvature-dependent surface tension which can be obtained by regarding the clusters as spherical droplets of bulk density is found to be a monotonically increasing function of cluster size for the studied range. The data are compared to other values reported in the literature, agreeing qualitatively with some but disagreeing with the values determined by Joswiak et al. [J. Phys. Chem. Lett. 4, 4267 (2013)] using a biased mitosis approach; an assessment of the differences is the main motivation for our current study.

  3. Water droplet excess free energy determined by cluster mitosis using guided molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Lau, Gabriel V.; Müller, Erich A.; Jackson, George [Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Hunt, Patricia A. [Department of Chemistry, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Ford, Ian J. [Department of Physics and Astronomy and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2015-12-28

    Atmospheric aerosols play a vital role in affecting climate by influencing the properties and lifetimes of clouds and precipitation. Understanding the underlying microscopic mechanisms involved in the nucleation of aerosol droplets from the vapour phase is therefore of great interest. One key thermodynamic quantity in nucleation is the excess free energy of cluster formation relative to that of the saturated vapour. In our current study, the excess free energy is extracted for clusters of pure water modelled with the TIP4P/2005 intermolecular potential using a method based on nonequilibrium molecular dynamics and the Jarzynski relation. The change in free energy associated with the “mitosis” or division of a cluster of N water molecules into two N/2 sub-clusters is evaluated. This methodology is an extension of the disassembly procedure used recently to calculate the excess free energy of argon clusters [H. Y. Tang and I. J. Ford, Phys. Rev. E 91, 023308 (2015)]. Our findings are compared to the corresponding excess free energies obtained from classical nucleation theory (CNT) as well as internally consistent classical theory (ICCT). The values of the excess free energy that we obtain with the mitosis method are consistent with CNT for large cluster sizes but for the smallest clusters, the results tend towards ICCT; for intermediate sized clusters, we obtain values between the ICCT and CNT predictions. Furthermore, the curvature-dependent surface tension which can be obtained by regarding the clusters as spherical droplets of bulk density is found to be a monotonically increasing function of cluster size for the studied range. The data are compared to other values reported in the literature, agreeing qualitatively with some but disagreeing with the values determined by Joswiak et al. [J. Phys. Chem. Lett. 4, 4267 (2013)] using a biased mitosis approach; an assessment of the differences is the main motivation for our current study.

  4. 76 FR 6128 - Energy Exchange International, LLC; Supplemental Notice That Initial Market-Based Rate Filing...

    Science.gov (United States)

    2011-02-03

    ... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. ER11-2730-000] Energy Exchange International, LLC; Supplemental Notice That Initial Market-Based Rate Filing Includes Request for... proceeding Energy Exchange International, LLC's application for market-based rate authority, with an...

  5. International Energy Agency Solar Heating and Cooling Program

    Science.gov (United States)

    Brooks, A. J.

    This trip was undertaken to participate in and represent the United States Industry at the International Energy Agency (IEA) Solar Heating and Cooling Program (SHCP) Task 14 Workshop. The meeting took place at the A1 Bani Hotel in Rome Italy.

  6. gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations.

    Science.gov (United States)

    Serçinoglu, Onur; Ozbek, Pemra

    2018-05-25

    Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming to identify interactions between individual amino acid residues and the role played by each in the context of MD simulations, we present a stand-alone software called gRINN (get Residue Interaction eNergies and Networks). gRINN features graphical user interfaces (GUIs) and a command-line interface for generating and analyzing pairwise residue interaction energies and energy correlations from protein MD simulation trajectories. gRINN utilizes the features of NAMD or GROMACS MD simulation packages and automatizes the steps necessary to extract residue-residue interaction energies from user-supplied simulation trajectories, greatly simplifying the analysis for the end-user. A GUI, including an embedded molecular viewer, is provided for visualization of interaction energy time-series, distributions, an interaction energy matrix, interaction energy correlations and a residue correlation matrix. gRINN additionally offers construction and analysis of Protein Energy Networks, providing residue-based metrics such as degrees, betweenness-centralities, closeness centralities as well as shortest path analysis. gRINN is free and open to all users without login requirement at http://grinn.readthedocs.io.

  7. International Atomic Energy Agency: Highlights of activities

    International Nuclear Information System (INIS)

    Gillen, A.

    1992-09-01

    This document provides a brief, well-illustrated summary of the activities of the International Atomic Energy Agency in the months up to September 1992. Especially mentioned are the programmes to enhance the safety of nuclear power, from the study of nuclear reactors to assessing the radiological consequences of reactor accidents, and the areas of non-proliferation and safeguards

  8. International Atomic Energy Agency. Highlights of activities

    International Nuclear Information System (INIS)

    Gillen, V.A.

    1991-09-01

    This document provides a brief, well-illustrated summary of the activities of the International Atomic Energy Agency in the months up to September 1991. Especially mentioned are the programmes to enhance the safety of nuclear power, from the study of nuclear reactors to assessing the radiological consequences of reactor accidents, and the areas of non-proliferation and safeguards

  9. 77 FR 61583 - International Energy Agency Meetings

    Science.gov (United States)

    2012-10-10

    ...) will meet on October 17 and 18, 2012, at the headquarters of the IEA in Paris, France in connection... the International Energy Agency (IEA) will be held at the headquarters of the IEA, 9, rue de la F... October 18. The purpose of this notice is to permit attendance by representatives of U.S. company members...

  10. International energy market dynamics: a modelling approach. Tome 1

    International Nuclear Information System (INIS)

    Nachet, S.

    1996-01-01

    This work is an attempt to model international energy market and reproduce the behaviour of both energy demand and supply. Energy demand was represented using sector versus source approach. For developing countries, existing link between economic and energy sectors were analysed. Energy supply is exogenous for energy sources other than oil and natural gas. For hydrocarbons, exploration-production process was modelled and produced figures as production yield, exploration effort index, etc. The model built is econometric and is solved using a software that was constructed for this purpose. We explore the energy market future using three scenarios and obtain projections by 2010 for energy demand per source and oil natural gas supply per region. Economic variables are used to produce different indicators as energy intensity, energy per capita, etc. (author). 378 refs., 26 figs., 35 tabs., 11 appends

  11. International energy market dynamics: a modelling approach. Tome 2

    International Nuclear Information System (INIS)

    Nachet, S.

    1996-01-01

    This work is an attempt to model international energy market and reproduce the behaviour of both energy demand and supply. Energy demand was represented using sector versus source approach. For developing countries, existing link between economic and energy sectors were analysed. Energy supply is exogenous for energy sources other than oil and natural gas. For hydrocarbons, exploration-production process was modelled and produced figures as production yield, exploration effort index, ect. The model build is econometric and is solved using a software that was constructed for this purpose. We explore the energy market future using three scenarios and obtain projections by 2010 for energy demand per source and oil and natural gas supply per region. Economic variables are used to produce different indicators as energy intensity, energy per capita, etc. (author). 378 refs., 26 figs., 35 tabs., 11 appends

  12. Review of international forum on peaceful use of nuclear energy and nuclear non-proliferation

    International Nuclear Information System (INIS)

    Shimizu, Ryo; Suzuki, Mitsutoshi; Sakurai, Satoshi; Tamai, Hiroshi; Yamamura, Tsukasa; Kuno, Yusuke

    2012-02-01

    International forum on peaceful use of nuclear energy and nuclear non-proliferation was held at Gakushi-kaikan, Tokyo on February 2-3, 2011 in cooperation with The Japan Institute of International Affairs (JIIA) and The University of Tokyo Global COE. In our International Forum, we would like to encourage active discussion of international challenges to and solutions for compatibility between peaceful use of nuclear energy and nuclear non-proliferation, and international cooperation for emerging nuclear energy states. It was successfully carried out with as many as 310 participants and a lot of discussions. This report includes abstracts of keynote speeches, summary of panel discussions and materials of the presentations in the forum. (author)

  13. International conference on clinical PET and molecular nuclear medicine (IPET 2007). Book of abstracts

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2007-07-01

    The International Atomic Energy Agency is organizing its first international conference on 'Clinical PET and Molecular Nuclear Medicine'. Medical imaging technologies have undergone explosive growth over the past two decades. Today, imaging is at a crossroad, with molecular targeted imaging agents expected to broadly expand the capabilities of conventional anatomical imaging methods. Observing molecular interactions in the living body by the radiotracer technique has become known as 'molecular nuclear medicine'. Molecular nuclear medicine techniques analyze cellular biochemistry and its relationship to disease processes expressed in tissue and organ dysfunction, for diagnostic and therapeutic purposes. People can often have similar manifestations of disease, but no two patients will be the same. Functional radionuclide imaging and positron emission tomography (PET) provide excellent opportunities to follow the pathology in individual patients and therefore provide a means for tailored clinical management. These also provide the means to assess the response to treatment in a safe and non-invasive manner. Changes at molecular and cellular levels provide vital clues for evaluating the effectiveness of chosen clinical treatment plans. This information is expected to have a major impact on understanding disease, disease detection, individualised treatment, and drug development. Recently, considerable attention has been drawn to nuclear medicine with the visualization of biochemical processes in vivo such as PET studies with 18F-FDG in many different organs and in cancerous tissues. With the arrival of PET/CT systems there is a new era of accurate mapping of disease processes. Today, 18F-FDG is the most useful PET tracer for the detection, staging, treatment planning and management of cancer. There is mounting evidence for its competitive advantage over conventional techniques in major medical areas including oncology, cardiology, and neurology. Nuclear medicine is

  14. International conference on clinical PET and molecular nuclear medicine (IPET 2007). Book of abstracts

    International Nuclear Information System (INIS)

    2007-01-01

    The International Atomic Energy Agency is organizing its first international conference on 'Clinical PET and Molecular Nuclear Medicine'. Medical imaging technologies have undergone explosive growth over the past two decades. Today, imaging is at a crossroad, with molecular targeted imaging agents expected to broadly expand the capabilities of conventional anatomical imaging methods. Observing molecular interactions in the living body by the radiotracer technique has become known as 'molecular nuclear medicine'. Molecular nuclear medicine techniques analyze cellular biochemistry and its relationship to disease processes expressed in tissue and organ dysfunction, for diagnostic and therapeutic purposes. People can often have similar manifestations of disease, but no two patients will be the same. Functional radionuclide imaging and positron emission tomography (PET) provide excellent opportunities to follow the pathology in individual patients and therefore provide a means for tailored clinical management. These also provide the means to assess the response to treatment in a safe and non-invasive manner. Changes at molecular and cellular levels provide vital clues for evaluating the effectiveness of chosen clinical treatment plans. This information is expected to have a major impact on understanding disease, disease detection, individualised treatment, and drug development. Recently, considerable attention has been drawn to nuclear medicine with the visualization of biochemical processes in vivo such as PET studies with 18F-FDG in many different organs and in cancerous tissues. With the arrival of PET/CT systems there is a new era of accurate mapping of disease processes. Today, 18F-FDG is the most useful PET tracer for the detection, staging, treatment planning and management of cancer. There is mounting evidence for its competitive advantage over conventional techniques in major medical areas including oncology, cardiology, and neurology. Nuclear medicine is

  15. International bulletin on atomic and molecular data for fusion. No. 11

    International Nuclear Information System (INIS)

    Katsonis, K.; Rumble, J. Jr.

    1980-01-01

    This bulletin deals with atomic and molecular data for fusion. A bibliography for the most recent data presented in the document is provided. Work in progress is briefly reported. The bulletin contains a list of references the publications on controlled fusion and plasma physics for 1979. It contains an index to the contributed papers presented at the 11th International Conference on the Physics of Electronics and Atomic Collision (ICPEAC) held in Kyoto (Japan) in summer 1979

  16. Regional and International Networking to Support the Energy Regulatory Commission of Thailand

    Energy Technology Data Exchange (ETDEWEB)

    Lavansiri, Direk; Bull, Trevor

    2010-09-15

    The Energy Regulatory Commission of Thailand is a new regulatory agency. The structure of the energy sector; the tradition of administration; and, the lack of access to experienced personnel in Thailand all pose particular challenges. The Commission is meeting these challenges through regional and international networking to assist in developing policies and procedures that allow it to meet international benchmarks.

  17. Summary of international energy research and development activities, 1974--1976

    International Nuclear Information System (INIS)

    1977-11-01

    This directory includes information covering 3017 ongoing and recently completed energy research projects conducted in Canada, Italy, the Federal Republic of Germany, France, The Netherlands, the United Kingdom, Denmark, Sweden, Israel, and 18 other countries. This information was registered with the Smithsonian Science Information Exchange (SSIE) by supporting organizations in the nine countries listed and by international organizations such as the International Atomic Energy Agency. All narrative information presented in the directory and, in some cases, organization names were translated into English. In addition to the title and text of project summaries, the directory contains the following indexes: Subject Index, Investigator Index, Performing Organization Index, and Supporting Organization Index. To reflect particular facets of energy research, the Subject Index is cross-referenced. The Subject Index is based upon the SSIE classification system, which organizes index terms in hierarchies to relate groups of narrow subject areas within broad areas. The following types of energy information are included: organic sources of energy (gas and oil; coal; peat, hydrocarbons, and nonfossil organic sources); thermonuclear energy and plasma physics; fission sources and energy production (reactor fuels assemblies and fuel management; reactor materials; reactor components; reactor thermodynamics, thermohydraulics, and mechanics; reactor safety and control; reactor testing, operations, and analysis; reactor and nuclear physics; uranium exploration and mining; reactors--general); geophysical energy sources (geothermal, hydro, solar, wave, and wind); conversion technology; environmental aspects of energy conversion and use; transport and transmission of energy; energy utilization and conservation; and energy systems and other energy research

  18. Simulation of the energy spectra of original versus recombined H2+ molecular ions transmitted through thin foils

    International Nuclear Information System (INIS)

    Barriga-Carrasco, Manuel D.; Garcia-Molina, Rafael

    2004-01-01

    This work presents the results of computer simulations for the energy spectra of original versus recombined H 2 + molecular ions transmitted through thin amorphous carbon foils, for a broad range of incident energies. A detailed description of the projectile motion through the target has been done, including nuclear scattering and Coulomb repulsion as well as electronic self-retarding and wake forces; the two latter are calculated in the dielectric formalism framework. Differences in the energy spectra of recombined and original transmitted H 2 + molecular ions clearly appear in the simulations, in agreement with the available experimental data. Our simulation code also differentiates the contributions due to original and to recombined H 2 + molecular ions when the energy spectra contain both contributions, a feature that could be used for experimental purposes in estimating the ratio between the number of original and recombined H 2 + molecular ions transmitted through thin foils

  19. 1st International Symposium on Energy System Optimization

    CERN Document Server

    Fichtner, Wolf; Heuveline, Vincent; Leibfried, Thomas

    2017-01-01

    The papers presented in this volume address diverse challenges in energy systems, ranging from operational to investment planning problems, from market economics to technical and environmental considerations, from distribution grids to transmission grids and from theoretical considerations to data provision concerns and applied case studies. The International Symposium on Energy System Optimization (ISESO) was held on November 9th and 10th 2015 at the Heidelberg Institute for Theoretical Studies (HITS) and was organized by HITS, Heidelberg University and Karlsruhe Institute of Technology.

  20. Exploring Low Internal Reorganization Energies for Silicene Nanoclusters

    KAUST Repository

    Pablo-Pedro, Ricardo

    2017-08-17

    High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we performed DFT calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydrogen-passivated edges denoted by H-SiNC. We observe that across all geometries, H-SiNCs feature large electron affinities and highly stabilized anionic states, indicating their potential as n-type materials. Our findings suggest that fine-tuning the size of H-SiNCs along the zigzag and armchair directions may permit the design of novel n-type electronic materials and spinctronics devices that incorporate both high electron affinities and very low internal reorganization energies.

  1. Crossing the phantom divide: Dark energy internal degrees of freedom

    International Nuclear Information System (INIS)

    Hu, Wayne

    2005-01-01

    Dark energy constraints have forced viable alternatives that differ substantially from a cosmological constant Λ to have an equation of state w that evolves across the phantom divide set by Λ. Naively, crossing this divide makes the dark energy gravitationally unstable, a problem that is typically finessed by unphysically ignoring the perturbations. While this procedure does not affect constraints near the favored cosmological constant model it can artificially enhance the confidence with which alternative models are rejected. Similar to the general problem of stability for w<0, the solution lies in the internal degrees of freedom in the dark energy sector. We explicitly show how to construct a two scalar field model that crosses the phantom divide and mimics the single field behavior on either side to substantially better than 1% in all observables. It is representative of models where the internal degrees of freedom keep the dark energy smooth out to the horizon scale independently of the equation of state

  2. Netherlands as producer of energy knowledge. Dutch governmental efforts for energy R and D in an international perspective

    International Nuclear Information System (INIS)

    Van Duin, A.M.

    2006-04-01

    The Dutch Ministry of Economic Affairs aims to link its transition policy in a broader context to international energy - and climate policy. A clear view on the Dutch position in the field of energy research policy is an important aspect of this international anchoring of the transition policy. For that purpose this report offers a first insight in the scope, the quality and the focus of Dutch energy R and D budget in comparison with the situation in a number of other countries. Furthermore, the attention is directed at recent developments and issues involved in the organisation of energy research. Several instruments for priority setting and organisational issues are recommended for consideration in the process of the international anchoring of transition policy. With regard to the per capita budgets for energy R and D, the Netherlands is leading together with Japan and the United States. Concerning the knowledge position in the field of energy, as of yet no research has been conducted expressing this knowledge position in publications, citations and patents. However, in the programming for the Dutch energy research strategy (EOS) a positive picture is presented. The role of the Netherlands in the European Framework Programmes indirectly indicates a good position as well. However, the scope of the Dutch government budget for energy R and D has been relatively strongly decreasing over the past years. The private contributions to energy R and D in the Netherlands are reasonable (50%), but the Dutch government expects that these - as a result of liberalisation - will decrease as well. In the Netherlands a relatively great part of the budget is spent on sustainable energy and energy conservation (together 70%). The Netherlands spend more on biomass and in particular on wind energy and less on solar energy than is the case in the other countries. Compared to the other countries, the Dutch budget for energy conservation has been remarkably evenly divided over the

  3. Internal gravity, self-energy, and disruption of comets and asteroids

    Science.gov (United States)

    Dobrovolskis, Anthony R.; Korycansky, D. G.

    2018-03-01

    The internal gravity and self-gravitational energy of a comet, asteroid, or small moon have applications to their geophysics, including their formation, evolution, cratering, and disruption, the stresses and strains inside such objects, sample return, eventual asteroid mining, and planetary defense strategies for potentially hazardous objects. This paper describes the relation of an object's self-energy to its collisional disruption energy, and shows how to determine an object's self-energy from its internal gravitational potential. Any solid object can be approximated to any desired accuracy by a polyhedron of sufficient complexity. An analytic formula is known for the gravitational potential of any homogeneous polyhedron, but it is widely believed that this formula applies only on the surface or outside of the object. Here we show instead that this formula applies equally well inside the object. We have used these formulae to develop a numerical code which evaluates the self-energy of any homogeneous polyhedron, along with the gravitational potential and attraction both inside and outside of the object, as well as the slope of its surface. Then we use our code to find the internal, external, and surface gravitational fields of the Platonic solids, asteroid (216) Kleopatra, and comet 67P/Churyumov-Gerasimenko, as well as their surface slopes and their self-gravitational energies. We also present simple spherical, ellipsoidal, cuboidal, and duplex models of Kleopatra and comet 67P, and show how to generalize our methods to inhomogeneous objects and magnetic fields. At present, only the self-energies of spheres, ellipsoids, and cuboids (boxes) are known analytically (or semi-analytically). The Supplementary Material contours the central potential and self-energy of homogeneous ellipsoids and cuboids of all aspect ratios, and also analytically the self-gravitational energy of a "duplex" consisting of two coupled spheres. The duplex is a good model for "contact binary

  4. COMPETITIVE ADVANTAGES THROUGH THE IMPLEMENTATION OF INTERNATIONAL ENERGY MANAGEMENT STANDARDS

    Directory of Open Access Journals (Sweden)

    PALIEKHOVA L. L.

    2016-03-01

    Full Text Available Purpose. The purpose of the presented research is to explore the potential of international energy management standards to increase competitiveness of industrial enterprises under conditions of Ukrainian transitional economy. The study had the following objectives: to trace the evolution of fundamental energy efficiency standards; to discuss experience in their use in various countries; to identify factors that are key to achieving competitive advantage under the implementation ISO 50001. Methodology. This article presents a historical overview of the standardisation of principles and approaches for the purpose of the energy-efficient management. The research was carried out by studying the international documents, voluntary standards and national practices in the field of energy efficiency. Conclusions. The study examines the experiences of different countries in the field of energy management systems. The authors conducted a comparative analysis of the ISO 50001 with the other basic standards for the organisation of management. The system approach enables to identify the main factors and their impact on capacity to achieve competitive advantages, which are possible to obtain after certification to ISO 50001. Originality. The study reviewed and analysed the energy management penetration within its dynamics at time and country level. After analysing the statistical data and the results of the interviews, the authors identified 20 key factors affecting the competitiveness of enterprises that are certified to ISO 50001. All of these factors were divided into four groups, two groups represent external environment – opportunities and threats, and two groups – internal capacity – strengths and weaknesses of enterprises. Practical value. The proposed system of factors may be useful for the planning of actions towards strengthening the capacity of energy management systems in the context of the formation competitive advantages on the industrial

  5. Molecular beam studies of ion-molecule reactions

    International Nuclear Information System (INIS)

    Gentry, W.R.

    1978-01-01

    A review is presented in which an attempt is made to highlight some of the areas in which molecular beam techniques contribute to the understanding of ion--molecule reaction dynamics. Included are reactant kinetic energy range and resolution, internal state selection and analysis, and new chemical systems and phenomena. 35 references

  6. International cooperation for rational use of energy in industry

    Energy Technology Data Exchange (ETDEWEB)

    1983-01-01

    Papers discussed the experiences of OLADE, IEA and EEC member countries in the field of rational use of energy in a number of industrial sectors, such as textiles; generation, transmission and distribution of electricity; iron and steel; non-ferrous metals; cement; and sugar. Instruments and technologies for rational use of energy in industry were also discussed as well as possibilities for international cooperation in this field.

  7. Energy and carbon embodied in the international trade of Brazil. An input-output approach

    International Nuclear Information System (INIS)

    Machado, G; Schaeffer, R.; Worrell, E.

    2001-01-01

    All goods and services produced in an economy are directly and/or indirectly associated with energy use and, according to the type of fuel utilized, with CO2 emissions as well. International trade is an important factor in shaping the industrial structure of a country and, consequently, in affecting a country's energy use and CO2 emissions. This study applies input-output techniques to the Brazilian economy to evaluate the total impacts of international trade on its energy use and CO2 emissions. A commodity-by-industry IO model in hybrid units (energy commodities in physical units and non-energy commodities in monetary units) is applied to the Brazilian economy in 1995. Results show that total energy embodied in the exports of non-energy goods of Brazil equals 831 PJ, while total carbon embodied is 13.5 MtC. These amounts are larger than the relevant amounts embodied in the imports of non-energy goods, respectively 679 PJ and 9.9 MtC. These figures are better understood by contrasting them with the total energy use and the corresponding total carbon emissions of the Brazilian economy in 1995 estimated by this work: 6781 PJ and 99.4 MtC, respectively. This means that international inflows and outflows of energy embodied in non-energy goods are in the order of 10 and 12% of the total energy use, while inflows and outflows of carbon embodied in non-energy goods are approximately 10 and 14% of the corresponding total carbon emissions of the Brazilian economy in 1995. The general picture is that Brazil is not only a net exporter of energy (153 PJ) and of carbon (3.6 MtC) embodied in the non-energy goods internationally traded by the country in 1995, but also that each dollar earned with exports embodied 40% more energy and 56% more carbon than each dollar spent on imports. These findings suggest that Brazilian policy-makers should be concerned about the extra impacts international trade policy may have on energy use and carbon emissions of the country. 71 refs

  8. International Data Base for the U.S. Renewable Energy Industry

    Energy Technology Data Exchange (ETDEWEB)

    none

    1986-05-01

    The International Data Base for the US Renewable Energy Industry was developed to provide the US renewable energy industry with background data for identifying and analyzing promising foreign market opportunities for their products and services. Specifically, the data base provides the following information for 161 developed and developing countries: (1) General Country Data--consisting of general energy indicators; (2) Energy Demand Data--covering commercial primary energy consumption; (3) Energy Resource Data--identifying annual average insolation, wind power, and river flow data; (4) Power System Data--indicating a wide range of electrical parameters; and (5) Business Data--including currency and credit worthiness data.

  9. Organic sensitizers from D-π-A to D-A-π-A: effect of the internal electron-withdrawing units on molecular absorption, energy levels and photovoltaic performances.

    Science.gov (United States)

    Wu, Yongzhen; Zhu, Weihong

    2013-03-07

    The high performance and low cost of dye-sensitized solar cells (DSSCs) have drawn great interest from both academic and industrial circles. The research on exploring novel efficient sensitizers, especially on inexpensive metal-free pure organic dyes, has never been suspended. The donor-π bridge-acceptor (D-π-A) configuration is mainstream in the design of organic sensitizers due to its convenient modulation of the intramolecular charge-transfer nature. Recently, it has been found that incorporation of additional electron-withdrawing units (such as benzothiadiazole, benzotriazole, quinoxaline, phthalimide, diketopyrrolopyrrole, thienopyrazine, thiazole, triazine, cyanovinyl, cyano- and fluoro-substituted phenyl) into the π bridge as internal acceptors, termed the D-A-π-A configuration, displays several advantages such as tuning of the molecular energy levels, red-shift of the charge-transfer absorption band, and distinct improvement of photovoltaic performance and stability. We apply the D-A-π-A concept broadly to the organic sensitizers containing additional electron-withdrawing units between electron donors and acceptors. This review is projected to summarize the category of pure organic sensitizers on the basis of the D-A-π-A feature. By comparing the structure-property relationship of typical photovoltaic D-A-π-A dyes, the important guidelines in the design of such materials are highlighted.

  10. Environment. 1990-2001. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    2001-05-01

    This catalog lists all sales publications of the International Atomic Energy Agency dealing with the Environment, and issued during the period 1 January 1990 - 30 April 2001. Most publications are issued in English, though some are also available in other languages. These are noted in the catalogue

  11. A thermal extrapolation method for the effective temperatures and internal energies of activated ions

    Science.gov (United States)

    Meot-Ner (Mautner), Michael; Somogyi, Árpád

    2007-11-01

    The internal energies of dissociating ions, activated chemically or collisionally, can be estimated using the kinetics of thermal dissociation. The thermal Arrhenius parameters can be combined with the observed dissociation rate of the activated ions using kdiss = Athermalexp(-Ea,thermal/RTeff). This Arrhenius-type relation yields the effective temperature, Teff, at which the ions would dissociate thermally at the same rate, or yield the same product distributions, as the activated ions. In turn, Teff is used to calculate the internal energy of the ions and the energy deposited by the activation process. The method yields an energy deposition efficiency of 10% for a chemical ionization proton transfer reaction and 8-26% for the surface collisions of various peptide ions. Internal energies of ions activated by chemical ionization or by gas phase collisions, and of ions produced by desorption methods such as fast atom bombardment, can be also evaluated. Thermal extrapolation is especially useful for ion-molecule reaction products and for biological ions, where other methods to evaluate internal energies are laborious or unavailable.

  12. The Energy Charter Treaty and Related Documents. A Legal Framework for International Energy Cooperation

    International Nuclear Information System (INIS)

    2004-01-01

    The Energy Charter Treaty is a unique instrument for the promotion of international cooperation in the energy sector. Following its entry into force on 16 April 1998, the Treaty, together with the related documents contained in this booklet, provides an important legal basis for the creation of an open international energy market. The Charter process includes the countries of the enlarged European Union, Central and Eastern Europe, the Russian Federation, Central Asia and the Caucasus, as well as Japan, Australia and Mongolia. The Treaty remains open for accession by all countries committed to observance of its principles. It is very positive in this regard that states such as China, Iran, South Korea and the countries of ASEAN are taking a close interest in the Charter process, thus opening up the prospect of a further extension of its geographical scope. The primary challenge facing the constituent members of the Energy Charter process in the coming years will be that of ensuring full implementation of the Treaty's commitments. This will entail increased focus on multilateral cooperation over transit, trade, investments, environmental protection and energy efficiency. By continuing to build on its existing work in these areas, the Charter process stands ready to play a key role in translating the aim of a truly open non-discriminatory energy market into reality. This publication reproduces the text of the following documents: Final Act of the European Energy Charter Conference with all Annexes thereto, as opened for signature in Lisbon on 17 December 1994 and corrected by the Protocol of Correction of 2 August 1996; the Chairman's Statement at Adoption Session on 17 December 1994, as reported in the Note from the Secretariat 42/94 CONF 115; the Joint Memorandum of the Delegations of the Russian Federation and the European Communities on Nuclear Trade, as reported in the Note from the Secretariat 42/94 CONF 115; the Concluding Document of the Hague Conference on

  13. Description of card input data and formats for the International Bulletin on Atomic and Molecular Data for Fusion

    International Nuclear Information System (INIS)

    Katsonis, K.; Smith, F.J.

    1979-05-01

    This document describes the input data and the corresponding format of the computer programme which is used by the Atomic and Molecular Unit of the IAEA for storing, compiling and retrieving numerical data and/or bibliographic information for publishing the International Bulletin on Atomic and Molecular Data for Fusion

  14. Nuclear fission energy: the international scene and the outlook for Italy

    International Nuclear Information System (INIS)

    Monti, S.

    2008-01-01

    Because of concerns about the environment, energy security and energy costs, fission nuclear energy is gaining ground again around the world. In Italy, the research community can help relaunch the national nuclear programmes by providing advanced training, recruiting young engineers and researchers for RD activities, and furthering an immediate cooperation of the Italian system in the principal European and international projects on sustainable nuclear energy [it

  15. Energy use in Denmark: An international perspective

    Energy Technology Data Exchange (ETDEWEB)

    Schipper, L.; Howarth, R.; Andersson, B.; Price, L.

    1992-08-01

    This report analyzes the evolution use in Denmark since the early 1970s in order to shed light on the future path of energy use in Denmark, with particular emphasis on the role of energy efficiency. The authors found that improvements in end-use energy efficiency reduced primary energy requirements in Denmark by 22% between 1972 and 1988. Focusing on developments in six individual sectors of the Danish economy (residential, manufacturing, other industry, service, travel, and freight), they found that the residential, manufacturing, and service sectors have led the improvements in efficiency. Travel showed few significant improvements and the efficiency of freight transportation worsened. The international comparisons showed that the structure of energy use in Denmark is less energy-intensive than that of most high-income OECD countries, with the exception of Japan. Overall, they concluded that most of the energy savings achieved in Denmark were brought about through improvements in technology. They also found that an important stimulus for improved efficiency was higher energy prices, led in no small part by significant taxes imposed on small consumers of heating oil, electricity, and motor fuels. Energy-efficiency programs accelerated energy savings in homes and commercial buildings. The rate of improvement of energy efficiency in Denmark has slowed down significantly since 1984, consistent with trends observed in other major countries. While many of the energy-efficiency goals stated or implied in Denmark`s Energi 2000 are achievable over a very long period, present trends do not point towards achievement of these goals by 2010 or even 2020. Strong measures will have to be developed by both public and private authorities if energy efficiency is to make a key contributions to reducing environmental problems associated with energy use in Denmark.

  16. Energy and Carbon Embodied in the International Trade of Brazil

    International Nuclear Information System (INIS)

    Tolmasquim, M.T.; Machado, G.

    2003-01-01

    Shifting the economic structure of a country towards energy-intensive industries may lead to significant effect on the environment. One of the major environmental impacts associated to such changes is the increase of the Carbon Dioxide emissions - the main factor behind the greenhouse effect. In the last decades, structural changes in the Brazilian economy were close related to changes in the country's trade specialization. This paper analyzes to what extent energy use and its associated CO2 emissions of Brazil in the 90's may be overloaded by changes in the country's trade specialization towards a more energy-intensive mix. This study finds that Brazil exported, in net terms, significant amounts of energy and carbon (C) embodied in goods traded with the rest of the world in the 90's. In fact, some 6.6% of the final energy used by the industrial sector and around 7.1% of its C emissions are prompted by international trade. By overloading the country's energy use and its associated environmental damage (both local and global), this situation seems to contribute to increase not only local but also global environmental damage, since C leakage from non-Annex I countries due to international trade may lead to higher C concentration in the atmosphere

  17. International Atomic Energy Agency. Highlights of activities. September 1993

    International Nuclear Information System (INIS)

    Gillen, V.A.

    1993-09-01

    This document describes the most important activities of the International Atomic Energy Agency during the period September 1992 - September 1993, in particular in the following areas: (i) nuclear power; (ii) nuclear fuel cycle; (iii) radioactive waste management; (iv) comparative assessment of energy sources; (v) IAEA laboratory activities; (vi) nuclear applications in the food industry and in agriculture; (vii) human health applications of nuclear techniques, especially in the treatment and prevention of diseases and in the analysis of health problems related to the environment; (viii) industry and earth sciences; (ix) physical and chemical sciences; (x) radiation protection; (xi) safety of nuclear installations; (xii) safeguards and non-proliferation activities; (xiii) activities in the area of public and technical information such as the International Nuclear Information System (INIS) and other IAEA computerized databases and reference systems, the publication Nuclear Fusion, a monthly scientific journal of articles on thermonuclear fusion research and development, and the organization of meetings on atomic energy; and (xiv) a description of the Agency's technical assistance activities, including financial data

  18. The origins of the International Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B [Commissariat a l' Energie Atomique, International Relations (France)

    1977-08-15

    On 23 October 1956 in New York, 81 member countries of the United Nations Organization or of its specialized agencies adopted the Statute of the International Atomic Energy Agency, which was to go into formal operation before the end of 1957. A major step towards world-wide control of nuclear energy thus came to be taken more than ten years after the idea of establishing such control had been launched - the first tentative efforts, from 1946 to 1948, having ended in failure. The account follows in an attempt to retrace this 'prehistory' of the IAEA.

  19. The origins of the International Atomic Energy Agency

    International Nuclear Information System (INIS)

    Goldschmidt, B.

    1977-01-01

    On 23 October 1956 in New York, 81 member countries of the United Nations Organization or of its specialized agencies adopted the Statute of the International Atomic Energy Agency, which was to go into formal operation before the end of 1957. A major step towards world-wide control of nuclear energy thus came to be taken more than ten years after the idea of establishing such control had been launched - the first tentative efforts, from 1946 to 1948, having ended in failure. The account follows in an attempt to retrace this 'prehistory' of the IAEA

  20. Proceedings of the International conference on energy alternatives/risk education V. 1

    International Nuclear Information System (INIS)

    Marx, Gyoergy

    1990-02-01

    This Proceedings volume on Energy Education within the context of the International Conference on Energy Alternatives/Risk Education contains papers on Energy Education, on Nuclear Education and on Risk Education. Ten papers concerning nuclear science and technology, and nuclear energy, were indexed and abstracted separately for the INIS database. (R.P.)

  1. Fusion energy 1996. V. 1. Proceedings of the 16. international conference

    International Nuclear Information System (INIS)

    1997-01-01

    The sixteenth International Atomic Energy Agency (IAEA) Fusion Energy Conference was held in Montreal, Canada, from 7 to 11 October 1996. The conference, which was attended by some 500 participants from over thirty countries and two international organizations, was organized by the IAEA in cooperation with the Centre canadien de fusion magnetique and the Canadian National Fusion Program. Some 270 papers were presented in 19 oral and 8 poster sessions on magnetic and inertial confinement systems, plasma theory, computer modelling, alternative confinement approaches, fusion technology and future experiments. Refs, figs, tabs

  2. Fusion energy 1996. V. 3. Proceedings of the 16. international conference

    International Nuclear Information System (INIS)

    1997-01-01

    The sixteenth International Atomic Energy Agency (IAEA) Fusion Energy Conference was held in Montreal, Canada, from 7 to 11 October 1996. The conference, which was attended by some 500 participants from over thirty countries and two international organizations, was organized by the IAEA in cooperation with the Centre canadien de fusion magnetique and the Canadian National Fusion Program. Some 270 papers were presented in 19 oral and 8 poster sessions on magnetic and inertial confinement systems, plasma theory, computer modelling, alternative confinement approaches, fusion technology and future experiments

  3. International Atomic Energy Agency Publications. Catalogue 1986-1999

    International Nuclear Information System (INIS)

    2000-11-01

    This catalogue lists all sales publications of the International Atomic Energy Agency issued from 1986 up to the end of 1999 and still available. Some earlier titles which form part of an established series or are still considered important have also been included. The catalogue is in CD-ROM format

  4. International energy assistance needs and options for the Democratic People's Republic of Korea (DPRK)

    International Nuclear Information System (INIS)

    Hippel, David F. von; Hayes, Peter; Williams, James H.; Greacen, Chris; Sagrillo, Mick; Savage, Timothy

    2008-01-01

    Recent agreements between the Democratic People's Republic of Korea (DPRK) and the other countries involved in the six-party talks on the future of the DPRK's nuclear weapons program have focused attention on the North Korean energy sector, and, specifically, what the international community can or should do to assist the DPRK in energy sector redevelopment. During two visits to North Korea in 1998 and 2000, a team of American and North Korean researchers conducted a unique rural energy use survey in a flood-affected rural village in the DPRK-the farming village of Unhari. The information gathered during the survey has important implications on how to properly approach the ongoing rural energy crisis in the DPRK, and, more broadly, to provide overall energy sector assistance. The results of the Unhari survey are described briefly, followed by suggestions of internal policy and legal reforms, approaches to international cooperation, key and attractive energy sector technologies and processes for energy sector redevelopment in the DPRK

  5. Updating the International Standards for Tuberculosis Care. Entering the era of molecular diagnostics.

    Science.gov (United States)

    Hopewell, Philip C; Fair, Elizabeth L; Uplekar, Mukund

    2014-03-01

    The International Standards for Tuberculosis Care, first published in 2006 (Lancet Infect Dis 2006;6:710-725.) with a second edition in 2009 ( www.currytbcenter.ucsf.edu/international/istc_report ), was produced by an international coalition of organizations funded by the United States Agency for International Development. Development of the document was led jointly by the World Health Organization and the American Thoracic Society, with the aim of promoting engagement of all care providers, especially those in the private sector in low- and middle-income countries, in delivering high-quality services for tuberculosis. In keeping with World Health Organization recommendations regarding rapid molecular testing, as well as other pertinent new recommendations, the third edition of the Standards has been developed. After decades of dormancy, the technology available for tuberculosis care and control is now rapidly evolving. In particular, rapid molecular testing, using devices with excellent performance characteristics for detecting Mycobacterium tuberculosis and rifampin resistance, and that are practical and affordable for use in decentralized facilities in low-resource settings, is being widely deployed globally. Used appropriately, both within tuberculosis control programs and in private laboratories, these devices have the potential to revolutionize tuberculosis care and control, providing a confirmed diagnosis and a determination of rifampin resistance within a few hours, enabling appropriate treatment to be initiated promptly. Major changes have been made in the standards for diagnosis. Additional important changes include: emphasis on the recognition of groups at increased risk of tuberculosis; updating the standard on antiretroviral treatment in persons with tuberculosis and human immunodeficiency virus infection; and revising the standard on treating multiple drug-resistant tuberculosis.

  6. Total internal partition sums for molecular species in the 2000 edition of the HITRAN database

    International Nuclear Information System (INIS)

    Fischer, J.; Gamache, R.R.; Goldman, A.; Rothman, L.S.; Perrin, A.

    2003-01-01

    Total internal partition sums (TIPS) are calculated for all molecular species in the 2000 HITRAN database. In addition, the TIPS for 13 other isotopomers/isotopologues of ozone and carbon dioxide are presented. The calculations address the corrections suggested by Goldman et al. (JQSRT 66 (2000) 455). The calculations consider the temperature range 70-3000 K to be applicable to a variety of remote sensing needs. The method of calculation for each molecular species is stated and comparisons with data from the literature are discussed. A new method of recall for the partition sums, Lagrange 4-point interpolation, is developed. This method, unlike previous versions of the TIPS code, allows all molecular species to be considered

  7. A feasibility study of conceptual design for international clean energy network using hydrogen conversion technology

    International Nuclear Information System (INIS)

    Sato, Takashi; Hamada, Akiyoshi; Kitamura, Kazuhiro

    1998-01-01

    Clean energy is more and more required worldwide in proportion to actualization of global environmental issues including global warming. Therefore, it is an urgent task to realize promotion of worldwide introduction of clean energy which exists abundantly and is widely distributed in the world, such as hydropower and solar energy, while reducing the dependence on fossil fuel. However, since the renewable energy, differing from so called fossil fuel, is impossible to transport for long distance and store as it is, its utilization is subject to be limited. As one possible resolution of this kind of issues, 'International clean energy network using hydrogen conversion technology' which enables conversion of renewable energy from low cost hydropower into hydrogen energy and also into the transportable and storable form, is a meaningful concept. This system technology enables dealing of this hydrogen energy in international market as in the same manner as fossil fuel. It is considered to enable promotion of international and large scale introduction of such clean energy, along with the contribution to diversified and stabilized international energy supply. In this study, based upon the above-mentioned point of view and assumption of two sites, one on supply side and another on demand side of hydrogen energy, three systems are presumed. One of the systems consists of liquid hydrogen as transportation and storage medium of hydrogen, and the others intermediately convert hydrogen into methanol or ammonia as an energy carrier. A overall conceptual design of each system spanning from hydrogen production to its utilization, is conducted in practical way in order to review the general technical aspects and economical aspects through cost analysis. This study is administrated through the New Energy and Industrial Technology Development Organization (NEDO) as a part of the International Clean Energy Network Using Hydrogen Conversion (so-called WE-NET) Program with funding from

  8. 3. International Energy Symposium. Contrasts and challenges

    International Nuclear Information System (INIS)

    Reuter, A.

    2001-12-01

    The contributions made by the speakers of the 3 rd International Energy Symposium in Ossiach have clearly shown the dichotomies that exist in energy supply and have stated unequivocally what is expected from political decision-makers. One of the request has been that the political system provide the framework conditions for so-called flexible instruments to be employed in climate policy. These should allow efficient measures to be taken to reduce emissions not just in Austria but abroad as well. The technological questions of energy supply have been answered to a large extent by engineers. However, what remains to be solved are the issues of distribution and financing of sufficient and ecologically optimized systems. This requires ingenuity and problem solving capacity on part of politicians and bank experts so that scientific and technological developments will be followed by their translation into practice. The change in awareness has already taken place. However, its actual implementation will determine the success or failure of the energy concepts for a better future. (Giljum, H.H.)

  9. Inventory of U.S.-led International Activities on Building Energy Efficiency Initial Findings

    Energy Technology Data Exchange (ETDEWEB)

    Delgado, Alison; Evans, Meredydd

    2010-04-01

    Several U.S. Government agencies promote energy efficiency in buildings internationally. The types and scope of activities vary by agency. Those with the largest role include the U.S. Agency for International Development (USAID), the U.S. Department of State and the Environmental Protection Agency (EPA). Both USAID and the Department of State have a substantial presence overseas, which may present some complementarities with the Department of Energy’s efforts to reach out to other countries. Generally speaking, USAID focuses on capacity building and policy issues; the Department of State focuses on broad diplomatic efforts and some targeted grants in support of these efforts, and EPA has more targeted roles linked to ENERGY STAR appliances and a few other activities. Several additional agencies are also involved in trade-related efforts to promote energy efficiency in buildings. These include the Department of Commerce, the Export-Import Bank, the Overseas Private Investment Corporation and the Trade and Development Agency (TDA). This initial synthesis report is designed to summarize broad trends and activities relating to international cooperation on energy efficiency in buildings, which can help the U.S. Department of Energy (DOE) in developing its own strategy in this area. The Pacific Northwest National Laboratory will develop a more complete synthesis report later in 2010 as it populates a database on international projects on building energy efficiency.

  10. International Atomic Energy Agency use of facility calorimeters for safeguards purposes

    International Nuclear Information System (INIS)

    McRae, L.P.; Delegard, C.H.; Hamilton, R.A.; Westsik, G.A.; Moriarty, T.F.; Lemaire, R.J.

    1996-01-01

    The International Atomic Energy Agency is performing nuclear materials safeguards on an inventory of pure and scrap plutonium oxide powder materials held in Vault 3 of the Plutonium Finishing Plant, operated by the Westinghouse Hanford Company for the US Department of Energy at the Hanford Site in Washington State. The International Atomic Energy Agency uses qualitative and quantitative techniques to verify the presence and quantity of the nuclear materials under safeguards. The Agency uses weighing, sampling, and destructive analyses to obtain the most accurate verification measurements of containers of plutonium powders. In contrast, the plant operator generally uses non-destructive plutonium assay based on gamma spectrometry and calorimetry for its most accurate plutonium powder container measurements. Recent results have shown that the operator''s calorimeter system achieves measurement variabilities comparable with, or better than, the destructive analyses, particularly for scrap. The results are achieved more quickly and economically, with less waste and lower radiation exposure and contamination hazard, by calorimetry than by classical destructive analyses. Techniques, including authentication methods, are being jointly developed to permit use of the operator''s calorimeter system for international safeguards purposes. The authentication is to ensure the independence of, and to substantiate the validity of, calorimeter measurements for international safeguards. The authentication methods considered and being developed are discussed

  11. International Standards Development for Marine and Hydrokinetic Renewable Energy - Final Report on Technical Status

    Energy Technology Data Exchange (ETDEWEB)

    Rondorf, Neil E.; Busch, Jason; Kimball, Richard

    2011-10-29

    This report summarizes the progress toward development of International Standards for Marine and Hydrokinetic Renewable Energy, as funded by the U.S. Department of Energy (DOE) under the International Electrotechnical Commission (IEC) Technical Committee 114. The project has three main objectives: 1. Provide funding to support participation of key U.S. industry technical experts in 6 (originally 4) international working groups and/or project teams (the primary standards-making committees) and to attend technical meetings to ensure greater U.S. involvement in the development of these standards. 2. Provide a report to DOE and industry stakeholders summarizing the IEC standards development process for marine and hydrokinetic renewable energy, new international standards and their justifications, and provide standards guidance to industry members. 3. Provide a semi-annual (web-based) newsletter to the marine renewable energy community. The newsletter will educate industry members and stakeholders about the processes, progress, and needs of the US efforts to support the international standards development effort. The newsletter is available at www.TC114.us

  12. Regulatory changes to renewable energy support schemes: An international investment law perspective

    OpenAIRE

    Paleckaite, Gintare

    2014-01-01

    Thesist analyzes how regulatory changes related to renewable energy investment support schemes can be perceived under international investment law standards and how possible decisions of international investment law tribunals could impact investment in this sector. This research is based on case studies of two states: Spain and the Czech Republic and claims against them. These cases will assist in analyzing the effects of the amendment/revocation of renewable energy support schemes. Answers t...

  13. Trade-offs between Energy Efficiency improvements and additional Renewable Energy supply: A review of international experiences

    DEFF Research Database (Denmark)

    Baldini, Mattia; Klinge Jacobsen, Henrik

    improvements made in the energy saving field. Indeed, less attention has been paid to implement energy efficiency measures in energy systems modeling, which has resulted in scenarios where expedients for a wise use of energy (e.g. energy savings and renewables’ share) are unbalanced and cost......-savings opportunities are missed. The aim of this paper is to review and evaluate international experiences on finding the optimal trade-off between efficiency improvements and additional renewable energy supply. A critical review of each technique, focusing on purposes, methodology and outcomes, is provided along......-makers, informations useful for identify a suitable analysis for investigate on the optimal trade-off between renewables and energy efficiency measures in energy-systems under different objectives....

  14. International conference on the photochemical conversion and storage of solar energy

    Energy Technology Data Exchange (ETDEWEB)

    Hofman, M.Z.

    1977-01-31

    Abstracts are given for the eight formal lectures and the contributed papers from delegates which were presented in the form of posters. There were seven sessions divided by subject as follows: (1) photochemistry, (2) electron transfer mechanisms in photochemical energy conversion processes, (3) photoelectrolysis, (4) photogalvanics, (5) photochemical production of fuels in homogeneous solutions, (6) membranes for photosynthesis reactions, and (7) non-biological systems for organic molecular energy storage. (WHK)

  15. Making and Operating Molecular Machines: A Multidisciplinary Challenge.

    Science.gov (United States)

    Baroncini, Massimo; Casimiro, Lorenzo; de Vet, Christiaan; Groppi, Jessica; Silvi, Serena; Credi, Alberto

    2018-02-01

    Movement is one of the central attributes of life, and a key feature in many technological processes. While artificial motion is typically provided by macroscopic engines powered by internal combustion or electrical energy, movement in living organisms is produced by machines and motors of molecular size that typically exploit the energy of chemical fuels at ambient temperature to generate forces and ultimately execute functions. The progress in several areas of chemistry, together with an improved understanding of biomolecular machines, has led to the development of a large variety of wholly synthetic molecular machines. These systems have the potential to bring about radical innovations in several areas of technology and medicine. In this Minireview, we discuss, with the help of a few examples, the multidisciplinary aspects of research on artificial molecular machines and highlight its translational character.

  16. International seminar on the role of nuclear energy for sustainable development

    International Nuclear Information System (INIS)

    1998-01-01

    The Department of Atomic Energy in collaboration with the International Atomic Energy Agency, organised a two-day International Seminar on The Role of Nuclear Energy for Sustainable Development, during September 8 and 9, 1997 at New Delhi. Dr R. Chidambaram, Chairman, Atomic Energy Commission in his Welcome Address dealt with the disparity in per capita consumption of energy between developed and developing countries in the world and also told that for India the requirement of power generation capacity for accelerated growth and industrial and infrastructural development to attain a reasonable standard of living for all its citizens would call for substantial increase in the per capita electricity consumption. He also told that nuclear energy can play a very important role in meeting the future energy requirements of India. In the seminar a scenario where nuclear power is called upon to play a major role in meeting the energy requirements of mankind and the peaceful uses of nuclear energy like the application of radiation and radioactive isotopes in agriculture, industry, health care etc. was discussed in detail. The design and construction of fast breeder reactors, the indigenous design of advanced heavy water reactors with passive safety features, uranium resources for global energy requirements, manufacturing of nuclear components, fusion energy, role of nuclear energy in some countries like Brazil, Islamic Republic of Iran, France, China, Bangladesh and India were some of the other topics covered. Papers relevant to INIS are indexed separately

  17. Exploring Low Internal Reorganization Energies for Silicene Nanoclusters

    Science.gov (United States)

    Pablo-Pedro, Ricardo; Lopez-Rios, Hector; Mendoza-Cortes, Jose-L.; Kong, Jing; Fomine, Serguei; Van Voorhis, Troy; Dresselhaus, Mildred S.

    2018-05-01

    This paper is a contribution to the Physical Review Applied collection in memory of Mildred S. Dresselhaus. High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we perform density-functional-theory calculations to predict small reorganization energies of rectangular silicene nanoclusters with hydrogen-passivated edges denoted by H-SiNC. We observe that across all geometries, H-SiNCs feature large electron affinities and highly stabilized anionic states, indicating their potential as n -type materials. Our findings suggest that fine-tuning the size of H-SiNCs along the "zigzag" and "armchair" directions may permit the design of novel n -type electronic materials and spintronics devices that incorporate both high electron affinities and very low internal reorganization energies.

  18. Forces on nuclei moving on autoionizing molecular potential energy surfaces.

    Science.gov (United States)

    Moiseyev, Nimrod

    2017-01-14

    Autoionization of molecular systems occurs in diatomic molecules and in small biochemical systems. Quantum chemistry packages enable calculation of complex potential energy surfaces (CPESs). The imaginary part of the CPES is associated with the autoionization decay rate, which is a function of the molecular structure. Molecular dynamics simulations, within the framework of the Born-Oppenheimer approximation, require the definition of a force field. The ability to calculate the forces on the nuclei in bio-systems when autoionization takes place seems to rely on an understanding of radiative damages in RNA and DNA arising from the release of slow moving electrons which have long de Broglie wavelengths. This work addresses calculation of the real forces on the nuclei moving on the CPES. By using the transformation of the time-dependent Schrödinger equation, previously used by Madelung, we proved that the classical forces on nuclei moving on the CPES correlated with the gradient of the real part of the CPES. It was proved that the force on the nuclei of the metastable molecules is time independent although the probability to detect metastable molecules exponentially decays. The classical force is obtained from the transformed Schrödinger equation when ℏ=0 and the Schrödinger equation is reduced to the classical (Newtonian) equations of motion. The forces on the nuclei regardless on what potential energy surface they move (parent CPES or product real PESs) vary in time due to the autoionization process.

  19. International biomass. International markets of biomass-energy - Public synthesis

    International Nuclear Information System (INIS)

    Gardette, Yves-Marie; Dieckhoff, Lea; Lorne, Daphne; Postec, Gwenael; Cherisey, Hugues de; RANTIEN, Caroline

    2014-11-01

    This publication proposes a synthesis of a study which aimed at analysing the present and future place of wood-energy in the European Union as the main renewable resource used to produce heat and electricity. This study comprised an analysis of European markets of solid biomass and of regulation, case studies on wood-energy producer markets (North America, Eastern Europe, Brazil and Africa), a study of preparation modes (shredding, granulation, roasting) and biomass transport. This study is based on bibliographical searches in national and European sources, and on field data collected by the various bodies involved in this study. This synthesis notably discusses the following issues: solid biomass is the main renewable resource for the EU and has many applications; European objectives for solid biomass by 2020 are very ambitious; markets are becoming international to face the EU's increasing demand; pellet production in North America is strongly increasing; in Europe, eastern European countries are the main exporters; Brazil has an export potential which is still to be confirmed; the African trade with Europe is still in its infancy. Finally, the development perspectives of roasted wood trade are discussed

  20. International aspects of the mitigation of the environmental effects of energy production

    International Nuclear Information System (INIS)

    Pfeiffer, H.G.

    1987-01-01

    It is hard to draw a boundary between those impacts on the environment which are specifically related to energy and those which are a general consequence of the concentration of human activities. This survey of international activities on energy and the environment will be restricted to those effects which commonly operate across international boundaries and will not include such problems as the airborne chemical problems at Bhopal, the Rhine spill at Basel or the ozone depletion by chlorofluorocarbons. The major international energy-related concerns are: (1) carbon dioxide and the possible warming of the earth; (2) sulfur oxides, nitrogen oxides and photochemical oxidant effects on lakes, streams, forests, and structures; (3) nuclear radioactive releases from weapons testing and power plants as they affect human health; and (4) the disposal of radioactive waste as a possible threat for the future ground water supplies or oceans

  1. International research and development projects in nuclear energy: Experience and future prospects

    International Nuclear Information System (INIS)

    Strohl, P.

    1983-01-01

    From the very beginning nuclear energy appeared as a fruitful field for international co-operation and particularly for international projects and joint ventures. By pooling scientific, technical and financial resources, the participating countries sought to promote the development of technology and the transition of nuclear energy to the industrial stage. Governments and therefore intergovernmental organizations were the driving force behind the establishment of joint projects in various R and D sectors, often in association with industry and private research institutes. The situation changed considerably from the end of the 1960s onwards. Despite some remarkable technical achievements, international co-operation did not develop to the extent predicted at the outset. Industry took over in the exploitation of proven technologies, and industrial co-operation agreements have become an important feature in some key areas of nuclear energy. This trend raises questions as to the future of joint R and D projects organized through intergovernmental co-operation. Although such projects are still very useful, they tend to be concentrated in those few sectors which continue to be of direct interest to the Governments; for instance, fundamental research, radioactive waste management and nuclear safety. The position of nuclear energy has changed, and the benefits to be drawn from this form of international co-operation must be critically re-assessed accordingly. While advantage to be gained from international projects for countries which are the most advanced in the development of nuclear energy is not the same as it was at the beginning, the transfer of experience and knowledge to less advanced countries is still the main concern of projects dealing with safety and regulatory matters. The experience thus gained provides a very useful insight into the legal and institutional framework of joint projects

  2. Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.

    Science.gov (United States)

    Sergiievskyi, Volodymyr P; Jeanmairet, Guillaume; Levesque, Maximilien; Borgis, Daniel

    2014-06-05

    Molecular density functional theory (MDFT) offers an efficient implicit-solvent method to estimate molecule solvation free-energies, whereas conserving a fully molecular representation of the solvent. Even within a second-order approximation for the free-energy functional, the so-called homogeneous reference fluid approximation, we show that the hydration free-energies computed for a data set of 500 organic compounds are of similar quality as those obtained from molecular dynamics free-energy perturbation simulations, with a computer cost reduced by 2-3 orders of magnitude. This requires to introduce the proper partial volume correction to transform the results from the grand canonical to the isobaric-isotherm ensemble that is pertinent to experiments. We show that this correction can be extended to 3D-RISM calculations, giving a sound theoretical justification to empirical partial molar volume corrections that have been proposed recently.

  3. Electron loss from multiply protonated lysozyme ions in high energy collisions with molecular oxygen

    DEFF Research Database (Denmark)

    Hvelplund, P; Nielsen, SB; Sørensen, M

    2001-01-01

    We report on the electron loss from multiply protonated lysozyme ions Lys-Hn(n)+ (n = 7 - 17) and the concomitant formation of Lys-Hn(n+1)+. in high-energy collisions with molecular oxygen (laboratory kinetic energy = 50 x n keV). The cross section for electron loss increases with the charge state...... of the precursor from n = 7 to n = 11 and then remains constant when n increases further. The absolute size of the cross section ranges from 100 to 200 A2. The electron loss is modeled as an electron transfer process between lysozyme cations and molecular oxygen....

  4. Machine learning for the structure-energy-property landscapes of molecular crystals.

    Science.gov (United States)

    Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

    2018-02-07

    Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

  5. Nuclear energy: exit or revival? International aspects; Energie nucleaire: sortie ou relance? Aspects internationaux

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-11-01

    This colloquium took place less than 1 year after the decision of the US of revival of their nuclear program. Thus the international context has changed, even if nuclear contestation remains as strong as in the past. Among governments, some positions preach the banishment of nuclear energy while others consider the nuclear option as the only solution to meet the growing up energy demand and the future environmental and economical stakes. This report makes a synthesis of the different talks given by the participants during the 3 round tables of the colloquium on the future of nuclear energy: the ecological stake, the democratic stake, and the energy policy stake. Four talks of French government representatives open and conclude the debates of the different round tables. (J.S.)

  6. The European Energy Regulators Group and the realization of the internal energy market

    International Nuclear Information System (INIS)

    Lavrijssen, S.A.C.M.

    2006-01-01

    The role of the European Energy Regulators Group (ERGEG) in the realization of the internal energy market is discussed. It is concluded that the ERGEG has already achieved significant results in dealing with several complex technical and legal problems that hamper market integration in the energy sector. However, it is a fundamental problem that the ERGEG is neither an EU institution nor a national institution, resulting in a lack of its democratic accountability and in the legal protection against the actions taken by the ERGEG. Therefore, the future success of the ERGEG will depend on the ability of the European legislator to find answers to the question how to ensure that the ERGEG fulfils its tasks in a legitimate way [nl

  7. The 25th anniversary of the International Atomic Energy Agency

    International Nuclear Information System (INIS)

    Osztrovszki, Gy.

    1982-01-01

    The leader of the Hungarian delegation at the 26th General Assembly of the International Atomic Energy (IAEA) held in Vienna in September, 1982, on the occasion of the IAEA's 25th anniversary, presented a short review of the IAEA's activities during its existence, the Hungarian participation in them and Hungary's efforts in the peaceful uses of the nuclear energy. (A.L.)

  8. Energy 2010-2020. Final report of the 'international context' report

    International Nuclear Information System (INIS)

    1998-02-01

    The report of international workshop about Energy 2010-2020 takes stock of the situation on the needs growth, the risks, the world-wide market and technological innovation. Uncertainties on the place of nuclear power and natural gas in 2020, the difficulties to respect the commitments about the greenhouse effect, the energy dependence towards Middle East, are some teaching of this report. (N.C.)

  9. International workshop on energy outlook in France and in Europe; Seminaire international sur la prospective energetique en France et en Europe

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    The objective of the Energy Outlook Workshop is to allow decision makers and energy experts to exchange views on a wide range of issues including current projections, economic, political, social and environmental stakes, use of forecasts, precautions required, and identification of priorities. Major challenges confronting energy policy makers include: design of new energy systems following opening of energy markets; investment required to ensure long-term security of supply (e.g depleted reserves of fossil energy); achieving international commitments for environmental protection (e.g Kyoto Protocol and other quantitative targets); respect of European standards and regulations; economic and social issues, such as impact of high energy prices. The workshop will take into account two new characteristics of Energy Outlook: the time horizon, previously limited to 10-20 years, may be now extended to 30-50 years due to enormous progress in economic modelling techniques and the European and international context. (author)

  10. Correlation between Chinese and international energy prices based on a HP filter and time difference analysis

    International Nuclear Information System (INIS)

    He, Yongxiu; Wang, Bing; Wang, Jianhui; Xiong, Wei; Xia, Tian

    2013-01-01

    To establish a reasonable system and mechanism for Chinese energy prices, we use the Granger causality test, Hodrick–Prescott (HP) filter and time difference analysis to research the pricing relationship between Chinese and international energy prices. We find that Chinese and international crude oil prices changed synchronously while Chinese refined oil prices follow the changes of international oil prices with the time difference being about 1 month to 2 months. Further, Australian coal prices Granger causes Chinese coal prices, and there is a high correlation between them. The U.S. electricity price is influenced by the WTI crude oil price, the U.S. gasoline price and the HenryHub gas price. Due to the unreasonable price-setting mechanism and regulation from the central government, China′s terminal market prices for both electricity and natural gas do not reflect the real supply–demand situation. This paper provides quantitative results on the correlation between Chinese and international energy prices to better predict the impact of international energy price fluctuations on China′s domestic energy supply and guide the design of more efficient energy pricing policies. Moreover, it provides references for developing countries to improve their energy market systems and trading, and to coordinate domestic and international energy markets. -- Highlights: •The Hodrick-Prescott filter and time difference analysis are used to research the correlation among energy prices. •Our study finds that the U.S. and British refined oil prices Granger cause the Chinese refined oil price. •Both Chinese and the Australian coal prices play an important role in the international coal market. •The Chinese terminal electric power and terminal natural gas prices are not highly correlated. •The results are useful for guiding the design of more efficient energy pricing policies in China

  11. Environment. 1980-1994. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    1995-06-01

    The catalogue lists all publications of the International Atomic Energy Agency dealing with the Environment issued during the period 1980-1993. The major subjects covered include: effect of agrochemical residues on soils and aquatic ecosystems, application of radioisotopes in conservation of the environment, siting of nuclear power plants, environmental isotope data and environmental contamination due to nuclear accidents

  12. The International Energy Workshop: results of the 1997 poll

    International Nuclear Information System (INIS)

    Schrattenholzer, L.

    1998-01-01

    The International Energy Workshop consists of a network of analysts from across the world concerned with international energy issues. Since 1981, the IEW has been organising an annual poll of projections of crude oil prices, economic growth, primary energy consumption and production, the energy trade and, beginning in the early 1990s, energy-related carbon emissions. Submitted projections are for 1990-2020 in ten-year steps; recently, 2050 and 2100 have been added, to cater for climate change scenarios. The IEW poll encourages the submission of responses for five world regions. This paper presents a summary of findings in the 1997 poll. Highlights include the following. The poll medians for 1997 suggest a crude oil price, in 1990 purchasing power, of $20/b in 2000, $27/b in 2010 and $28/b in 2020. Unlike for 2000 and 2010, the 2020 figure diverges considerably from that of the 1996 poll, which registered $39/b. Eastern Europe and the former Soviet Union are not expected to be major global oil exporters until 2010 at least, while China will become a net importer in 2000. OPEC will meet about half global demand by 2020. World primary energy consumption is expected to increase from 8,500 mtoe in 1990 to 13,000 mtoe in 2020. In this period, oil will lose almost seven percentage points of market share, while natural gas will almost double its absolute contribution. OPEC's natural gas exports are projected to rise from 55 mtoe in 1990 to 300 mtoe in 2020. Finally, the paper compares different projections for decarbonisation, that is, the decline rates of the carbon intensity of GDP and of primary energy supply. It notes that, according to business-as-usual projections, the OECD is way off target in meeting the emissions-reductions goals of the United Nations Framework Convention on Climate Change

  13. Field-dependent molecular ionization and excitation energies: Implications for electrically insulating liquids

    Directory of Open Access Journals (Sweden)

    N. Davari

    2014-03-01

    Full Text Available The molecular ionization potential has a relatively strong electric-field dependence as compared to the excitation energies which has implications for electrical insulation since the excited states work as an energy sink emitting light in the UV/VIS region. At some threshold field, all the excited states of the molecule have vanished and the molecule is a two-state system with the ground state and the ionized state, which has been hypothesized as a possible origin of different streamer propagation modes. Constrained density-functional theory is used to calculate the field-dependent ionization potential of different types of molecules relevant for electrically insulating liquids. The low singlet-singlet excitation energies of each molecule have also been calculated using time-dependent density functional theory. It is shown that low-energy singlet-singlet excitation of the type n → π* (lone pair to unoccupied π* orbital has the ability to survive at higher fields. This type of excitation can for example be found in esters, diketones and many color dyes. For alkanes (as for example n-tridecane and cyclohexane on the other hand, all the excited states, in particular the σ → σ* excitations vanish in electric fields higher than 10 MV/cm. Further implications for the design of electrically insulating dielectric liquids based on the molecular ionization potential and excitation energies are discussed.

  14. Determination of liquid's molecular interference function based on X-ray diffraction and dual-energy CT in security screening

    International Nuclear Information System (INIS)

    Zhang, Li; YangDai, Tianyi

    2016-01-01

    A method for deriving the molecular interference function (MIF) of an unknown liquid for security screening is presented. Based on the effective atomic number reconstructed from dual-energy computed tomography (CT), equivalent molecular formula of the liquid is estimated. After a series of optimizations, the MIF and a new effective atomic number are finally obtained from the X-ray diffraction (XRD) profile. The proposed method generates more accurate results with less sensitivity to the noise and data deficiency of the XRD profile. - Highlights: • EDXRD combined with dual-energy CT has been utilized for deriving the molecular interference function of an unknown liquid. • The liquid's equivalent molecular formula is estimated based on the effective atomic number reconstructed from dual-energy CT. • The proposed method provides two ways to estimate the molecular interference function: the simplified way and accurate way. • A new effective atomic number of the liquid could be obtained.

  15. Impact of International Oil Price on Energy Conservation and Emission Reduction in China

    Directory of Open Access Journals (Sweden)

    Jian Chai

    2016-05-01

    Full Text Available In the context of “new normal” economy and frequent “haze”, the strategy of energy conservation and emission reduction aiming to lower costs and reduce pollution is currently still a major strategic direction in China and the world, and will remain so for some time in the future. This paper uses the annual data of West Texas Intermediate (WTI crude oil price in 1987–2014 as samples. We firstly present the direction and mechanism of the influence of oil price change on total consumption of every kind of energy by path analysis, and then consider establishing a Structural Vector Autoregression model of energy conservation and emission reduction in three statuses. Research shows that if the international oil price increases by 1%, the energy consumption per GDP and carbon dioxide emission increase by 0.092% and 0.053% respectively in the corresponding period. In the status of high energy consumption and high emission, if the international oil price increases by 1%, the energy consumption per GDP and carbon dioxide emission increase by 0.043% and 0.065% respectively in the corresponding period. In the status of low energy consumption and low emission, if the international oil price increases by 1%, the energy consumption per GDP per unit increases by 0.067% and carbon dioxide emission decreases by 0.085% in the corresponding period.

  16. Energy embodied in the international trade of China. An energy input-output analysis

    International Nuclear Information System (INIS)

    Liu, Hongtao; Xi, Youmin; Guo, Ju'e; Li, Xia

    2010-01-01

    Growing international trade has not only positively affected the People's Republic of China's (China's) economic development, but also expanded the exportation of energy embodied in goods during their production. This energy flow out will pose risks to China's rational utilization of natural resources as well as environmental protection. In this paper, we evaluate the energy embodied in goods produced in China during 1992-2005 and use input-output structural decomposition analysis to identify five key factors causing the changes of energy embodied in exports. (Direct primary energy efficiency, primary energy consumption structure, structure of intermediate inputs, structure of exports, and scale of exports.) For the three sub-periods of 1992-1997, 1997-2002, and 2002-2005, results show that China is a net exporter of energy, and the energy embodied in exports tends to increase over time. The expanding total volume of exports and increasing exports of energy-intensive goods tend to enlarge the energy embodied in exports within all three sub-periods, but these driving forces were offset by a considerable improvement of energy efficiency and changes in primary energy consumption structure from 1992 to 2002 and the effects of structure of intermediate input only in the sub-period from 1992 to 1997. From 2002 to 2005, the sharp augmentation of energy embodied in exports was driven by all the five factors. Our research has practical implications for the Chinese economy. Results of this study suggest that the energy embodied in trade should receive special attentions in energy policies design to limit the energy resource out-flow and pollution generation. (author)

  17. Energy Storage Analysis of a Mixed R161/MOF-5 Nanoparticle Nanofluid Based on Molecular Simulations.

    Science.gov (United States)

    Wang, Qiang; Tang, Shengli; Li, Leilei

    2018-05-20

    The thermal properties of refrigerants can be modified by adding porous nanoparticles into them. Here, molecular simulations, including molecular dynamics and grand canonical Monte Carlo, were employed to study the thermal energy storage properties of an R161/MOF-5 nanofluid. The results show that the thermodynamic energy change of MOF-5 nanoparticles is linear to the temperature. The adsorption heat calculated by grand canonical Monte Carlo is close to that calculated by the Clausius⁻Clapeyron equation. Additionally, a negative enhancement of the thermal energy storage capacity of the R161/MOF-5 nanofluid is found near the phase transition area.

  18. International Conference on Power Electronics and Renewable Energy Systems

    CERN Document Server

    Suresh, L; Dash, Subhransu; Panigrahi, Bijaya

    2015-01-01

    The book is a collection of high-quality peer-reviewed research papers presented in Proceedings of International Conference on Power Electronics and Renewable Energy Systems (ICPERES 2014) held at Rajalakshmi Engineering College, Chennai, India. These research papers provide the latest developments in the broad area of Power Electronics and Renewable Energy. The book discusses wide variety of industrial, engineering and scientific applications of the emerging techniques. It presents invited papers from the inventors/originators of new applications and advanced technologies.

  19. Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method.

    Science.gov (United States)

    König, Gerhard; Mei, Ye; Pickard, Frank C; Simmonett, Andrew C; Miller, Benjamin T; Herbert, John M; Woodcock, H Lee; Brooks, Bernard R; Shao, Yihan

    2016-01-12

    A recently developed MESS-E-QM/MM method (multiple-environment single-system quantum mechanical molecular/mechanical calculations with a Roothaan-step extrapolation) is applied to the computation of hydration free energies for the blind SAMPL4 test set and for 12 small molecules. First, free energy simulations are performed with a classical molecular mechanics force field using fixed-geometry solute molecules and explicit TIP3P solvent, and then the non-Boltzmann-Bennett method is employed to compute the QM/MM correction (QM/MM-NBB) to the molecular mechanical hydration free energies. For the SAMPL4 set, MESS-E-QM/MM-NBB corrections to the hydration free energy can be obtained 2 or 3 orders of magnitude faster than fully converged QM/MM-NBB corrections, and, on average, the hydration free energies predicted with MESS-E-QM/MM-NBB fall within 0.10-0.20 kcal/mol of full-converged QM/MM-NBB results. Out of five density functionals (BLYP, B3LYP, PBE0, M06-2X, and ωB97X-D), the BLYP functional is found to be most compatible with the TIP3P solvent model and yields the most accurate hydration free energies against experimental values for solute molecules included in this study.

  20. Optimal trade-offs between energy efficiency improvements and additional renewable energy supply: A review of international experiences

    DEFF Research Database (Denmark)

    Baldini, Mattia; Klinge Jacobsen, Henrik

    2016-01-01

    the improvements made in the energy saving field. Indeed, little attention has been paid to implement energy efficiency measures, which has resulted in scenarios where expedients for a wise use of energy (e.g. energy savings and renewables share) are unbalanced. The aim of this paper is to review and evaluate...... international experiences on finding the optimal trade-off between efficiency improvements and additional renewable energy supply. A critical review of each technique, focusing on purposes, methodology and outcomes, is provided along with a review of tools adopted for the analyses. The models are categorized...... trade-off between renewables and energy efficiency measures in energy-systems under different objectives....

  1. International bioenergy transport costs and energy balance

    International Nuclear Information System (INIS)

    Hamelinck, Carlo N.; Suurs, Roald A.A.; Faaij, Andre P.C.

    2005-01-01

    To supply biomass from production areas to energy importing regions, long-distance international transport is necessary, implying additional logistics, costs, energy consumption and material losses compared to local utilisation. A broad variety of bioenergy chains can be envisioned, comprising different biomass feedstock production systems, pre-treatment and conversion operations, and transport of raw and refined solid biomass and liquid bio-derived fuels. A tool was developed to consistently compare the possible bioenergy supply chains and assess the influence of key parameters, such as distance, timing and scale on performance. Chains of European and Latin American bioenergy carriers delivered to Western Europe were analysed using generic data. European biomass residues and crops can be delivered at 90 and 70 euros/tonne dry (4.7 and 3.7 euros/GJ HHV ) when shipped as pellets. South American crops are produced against much lower costs. Despite the long shipping distance, the costs in the receiving harbour can be as low as 40 euros/tonne dry or 2.1 euros/GJ HHV ; the crop's costs account for 25-40% of the delivered costs. The relatively expensive truck transport from production site to gathering point restricts the size of the production area; therefore, a high biomass yield per hectare is vital to enable large-scale systems. In all, 300 MW HHV Latin American biomass in biomass integrated gasification/combined cycle plants may result in cost of electricity as little as 3.5 euros cent/kWh, competitive with fossil electricity. Methanol produced in Latin America and delivered to Europe may cost 8-10 euros/GJ HHV , when the pellets to methanol conversion is done in Europe the delivered methanol costs are higher. The energy requirement to deliver solid biomass from both crops and residues from the different production countries is 1.2-1.3 MJ primary /MJ delivered (coal ∼ 1.1 MJ/MJ). International bioenergy trade is possible against low costs and modest energy loss

  2. Solar energy conversion

    CERN Document Server

    Likhtenshtein, Gertz I

    2012-01-01

    Finally filling a gap in the literature for a text that also adopts the chemist?s view of this hot topic, Prof Likhtenshtein, an experienced author and internationally renowned scientist, considers different physical and engineering aspects in solar energy conversion. From theory to real-life systems, he shows exactly which chemical reactions take place when converting light energy, providing an overview of the chemical perspective from fundamentals to molecular harvesting systems and solar cells. This essential guide will thus help researchers in academia and industry better understa

  3. Global Trends of International Mergers and Acquisitions in the Energy Sector

    OpenAIRE

    Liubov Galperina; Yuliia Klen

    2017-01-01

    The article explores conditions, factors and results of mergers and acquisitions in international business with the example of the energy industry. The directions of world energy market transformation in the framework of PESTLE analysis have been determined by the factors influencing the efficiency and future of the companies that have effected mergers and acquisitions. The transformation of the global energy market is associated with changes in the main market parameters that ...

  4. Predicting Low Energy Dopant Implant Profiles in Semiconductors using Molecular Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Beardmore, K.M.; Gronbech-Jensen, N.

    1999-05-02

    The authors present a highly efficient molecular dynamics scheme for calculating dopant density profiles in group-IV alloy, and III-V zinc blende structure materials. Their scheme incorporates several necessary methods for reducing computational overhead, plus a rare event algorithm to give statistical accuracy over several orders of magnitude change in the dopant concentration. The code uses a molecular dynamics (MD) model to describe ion-target interactions. Atomic interactions are described by a combination of 'many-body' and pair specific screened Coulomb potentials. Accumulative damage is accounted for using a Kinchin-Pease type model, inelastic energy loss is represented by a Firsov expression, and electronic stopping is described by a modified Brandt-Kitagawa model which contains a single adjustable ion-target dependent parameter. Thus, the program is easily extensible beyond a given validation range, and is therefore truly predictive over a wide range of implant energies and angles. The scheme is especially suited for calculating profiles due to low energy and to situations where a predictive capability is required with the minimum of experimental validation. They give examples of using the code to calculate concentration profiles and 2D 'point response' profiles of dopants in crystalline silicon and gallium-arsenide. Here they can predict the experimental profile over five orders of magnitude for <100> and <110> channeling and for non-channeling implants at energies up to hundreds of keV.

  5. Energy study of heat pumps and energy storage at Cisco Systems International; Energiestudie warmtepompen en energieopslag Cisco Systems International

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-05-23

    Cisco Systems International considers the use of energy storage in combination with heat pumps for the new office building in Amsterdam South-East, Netherlands. This office building has a floor space of 35,000 m{sup 2}. In a later phase this can be enlarged to 45,000 m{sup 2} (phase 1b) or 90,000 m{sup 2} (phase 2). This study is based on phase 1b. The mounting heat capacity is 2,760 kW and the cooling capacity is 7,045 kW. The annually cooling demand is estimated to be 30,400 MWh/a. The computer cooling forms a greater part of the cooling request (28,300 MWh/a). This study is a pilot study to the applicability of subsurface energy storage where heat pumps in the new office building are involved. However, nearby the Cisco location IKEA (furniture warehouse) has also planned an energy storage system. Therefore, the interaction between the two storage systems was examined. Cost effectiveness was analysed by comparison of the storage system with an energy system using conventional cooling machines and gas boilers. 5 refs.

  6. Energy policy for Europe. Ensuring secure and low-carbon energy in the EU's internal market. Interim report

    International Nuclear Information System (INIS)

    Egenhofer, C.; Hammes, J.J.; Pedersen, K.

    2006-12-01

    mainly on the internal aspects, i.e. what the EU can implement internally, it nevertheless takes into account some of the external dimension of energy, as they are an important backdrop of EU energy policy. This Interim Report concentrates on six key areas that are discussed in sections 2 to 7. The starting point for an EU energy policy framework is to identify the European added value. The new framework needs to be more than just pasting together a number of largely isolated sector-specific policies. Putting together a package of disconnected policies risks a sub-optimal outcome, ignoring interaction between policies (section 2). The report introduces the concept of robustness of EU energy policy. At the heart of robustness is the EU internal energy market. The report makes a number of suggestions to improve robustness both by improving the functioning of the internal energy market and by complementary government action (section 3). To make progress towards a situation where the EU can speak with one voice, this report ponders the possibilities for the EU to assess member state external energy policy actions as to their EU impacts and to create more consistency and coherence between EU and member state policies. Key issues for international energy cooperation and diplomacy will be will be energy efficiency, investment in production and infrastructure, market access and climate change policies (section 4). Achieving both energy security and climate change targets while allowing for long-term competitive energy is likely to require paying a premium. How such a premium can be identified and implemented is discussed in section 5. This leaves the question on the best instrument to deal with security of supply and long-term sustainability and whether market-based or non-market based instruments are the best options (section 6). The concluding section (7) analyses the role of targets and sets out the conditions under which targets can work. It finds that EU targets are useful

  7. Proceedings of the International conference on energy alternatives/risk education V. 2

    International Nuclear Information System (INIS)

    Marx, Gyoergy

    1990-02-01

    This Proceedings volume on Energy and Risk within the context of the International Conference on Energy Alternatives/Risk Education contains papers on Nuclear Energy, on Background Radiation and on Risks of Energy Alternatives. 15 papers concerning safety of nuclear reactors, case stories of reactor and radiation accidents, monitoring low-level indoor radiation, educational tods, comparison of energy system risks, and catalyzed fusion were indexed and abstracted separately for the INIS database. (R.P.)

  8. World Energy Outlook 2004. The new report of the International Energy Agency; World Energy Outlook 2004. Le nouveau rapport de l'Agence Internationale de l'Energie

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    2004-12-01

    Here is given the complete text of the summary of the World Energy Outlook report of the International Energy Agency. This report includes an alternative scenario which gives the image of an energy future more efficient and more respectful of the environment than those of the reference scenario. (O.M.)

  9. Radiation therapy. 1990-2001. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    2001-04-01

    This catalog lists all sales publications of the International Atomic Energy Agency dealing with Radiation Therapy, and issued during the period 1 January 1990 - 30 April 2001. Most publications are issued in English, though some are also available in other languages. These are noted in the catalogue

  10. Perspectives of nuclear energy peaceful uses. International conference

    International Nuclear Information System (INIS)

    Mahmud, K.; Adil, G.; Dinara, A.

    2010-11-01

    Full text : The scientists from following countries (Usa, Pakistan, Russia, Azerbaijan, Spain, Uzbekistan, Iran) took part at the International Conference devoted to Perspectives of Nuclear Energy Peaceful Uses. The activity was conducted in five sections : Section 1 was devoted to perspectives and statuses on nuclear energy; Section 2 was devoted to radiation impact on the environment : radioecology situation, radiation security, existing problems and their solutions; Section 3 was devoted to radiation materiology (radiation chemistry, radiation physics, radiation effects in solid states). Section 4 was devoted to existing problems of nuclear and radiation security in our Azerbaijan Republic. Section 5 was devoted to radioecology situation, its problems and the ways on their.

  11. Energy confinement scaling from the international stellarator database

    Energy Technology Data Exchange (ETDEWEB)

    Stroth, U [Max-Planck-Institut fuer Plasmaphysik, Garching (Germany); Murakami, M; Dory, R A; Yamada, H; Okamura, S; Sano, F; Obiki, T

    1995-09-01

    An international stellarator database on global energy confinement is presented comprising data from the ATF, CHS and Heliotron E heliotron/torsatrons and the W7-A and W7-AS shearless stellarators. Regression expressions for the energy confinement time are given for the individual devices and the combined dataset. A comparison with tokamak L mode confinement is discussed on the basis of various scaling expressions. In order to make this database available to interested colleagues, the structure of the database and the parameter list are explained in detail. More recent confinement results incorporating data from enhanced confinement regimes such as H mode are reported elsewhere. (author).

  12. Cooling of molecular ion beams

    International Nuclear Information System (INIS)

    Wolf, A.; Krohn, S.; Kreckel, H.; Lammich, L.; Lange, M.; Strasser, D.; Grieser, M.; Schwalm, D.; Zajfman, D.

    2004-01-01

    An overview of the use of stored ion beams and phase space cooling (electron cooling) is given for the field of molecular physics. Emphasis is given to interactions between molecular ions and electrons studied in the electron cooler: dissociative recombination and, for internally excited molecular ions, electron-induced ro-vibrational cooling. Diagnostic methods for the transverse ion beam properties and for the internal excitation of the molecular ions are discussed, and results for phase space cooling and internal (vibrational) cooling are presented for hydrogen molecular ions

  13. Proceedings of the IASTED international conference on solar energy : SOE 2009

    Energy Technology Data Exchange (ETDEWEB)

    Hamza, M.H. [International Association of Science and Technology for Development, Calgary, AB (Canada)] (ed.)

    2009-07-01

    This solar energy conference was attended by international researchers and practitioners working with leading edge solar energy technology as well as related areas such as renewable energy and clean energy. The topics of discussion included nanotechnologies for solar energy; photovoltaic energy; solar fuel cells; solar-powered vehicles; solar thermal energy; thin film batteries; desalination systems; solar cooling; clean energy; renewable energy; biomass energy; sustainability; flexible solar cells; hybrid power generation; organic solar cells; remote sensing of solar radiation; solar thermal conversion; sustainable buildings; and thin film silicon solar cells. Some of the presentations discussed the application of solar energy in agriculture, environment, economics and home construction. The sessions were entitled: grid connection and energy conversion; photovoltaic and nanotechnology; solar energy and applications; and solar thermal energy. Seventeen of the 18 presentations have been catalogued separately for inclusion in this database.

  14. Oil substitution and energy saving - A research and development strategy of the International Energy Agency /IEA/

    Science.gov (United States)

    Rath-Nagel, S.

    1981-03-01

    Systems analyses were carried out by the International Energy Agency for the participating 15 countries in order to work out strategies and scenarios for lessening the dependence on imported oil and for developing new energy technologies. MARKAL model computations show the technology and energy mixes necessary for achieving a reduction of oil imports by two thirds over the next 40 years. The scenario 'high social security' examines the projected rise in energy consumption, the development of oil substitutes, the increase in alternative heating sources, the development of markets for liquid energy products, the demand for gas, and the relative usage of various energy generation methods. The recommended strategy involves as the most important points an increase in coal consumption, greater nuclear energy reliance and development of alternative technologies.

  15. Increase of internal energy due to measurement

    International Nuclear Information System (INIS)

    Daboul, J.

    1991-01-01

    We argue that the internal energy E=(H) of a macroscopic system in thermal equilibrium must increase, if we measure an observable A which does not commute with the Hamiltonian H. We derive an expression for calculating a lower bound for this increase in E. We then generalize the above result, and show that under certain conditions the expectation value (C) of an observable C should increase by the measurement of another observable A, if A and C do not commute. (author)

  16. Molecular sensors and molecular logic gates

    International Nuclear Information System (INIS)

    Georgiev, N.; Bojinov, V.

    2013-01-01

    Full text: The rapid grow of nanotechnology field extended the concept of a macroscopic device to the molecular level. Because of this reason the design and synthesis of (supra)-molecular species capable of mimicking the functions of macroscopic devices are currently of great interest. Molecular devices operate via electronic and/or nuclear rearrangements and, like macroscopic devices, need energy to operate and communicate between their elements. The energy needed to make a device work can be supplied as chemical energy, electrical energy, or light. Luminescence is one of the most useful techniques to monitor the operation of molecular-level devices. This fact determinates the synthesis of novel fluorescence compounds as a considerable and inseparable part of nanoscience development. Further miniaturization of semiconductors in electronic field reaches their limit. Therefore the design and construction of molecular systems capable of performing complex logic functions is of great scientific interest now. In semiconductor devices the logic gates work using binary logic, where the signals are encoded as 0 and 1 (low and high current). This process is executable on molecular level by several ways, but the most common are based on the optical properties of the molecule switches encoding the low and high concentrations of the input guest molecules and the output fluorescent intensities with binary 0 and 1 respectively. The first proposal to execute logic operations at the molecular level was made in 1988, but the field developed only five years later when the analogy between molecular switches and logic gates was experimentally demonstrated by de Silva. There are seven basic logic gates: AND, OR, XOR, NOT, NAND, NOR and XNOR and all of them were achieved by molecules, the fluorescence switching as well. key words: fluorescence, molecular sensors, molecular logic gates

  17. Theoretical study of the building principal of internal and external energy balances structures in diesel engine

    Directory of Open Access Journals (Sweden)

    Djallel ZEBBAR

    2016-06-01

    Full Text Available Distribution knowledge of the energy introduced into the combustion chamber is of great importance in the theory of internal combustion engines. This work aims to highlight the very complex relationship, often indistinguishable between internal and external energy balances components. The scrutiny of internal balance components has permitted to trace back up to the external balance. This can be easily established on a test bench equipped for the occasion. It will assess the perfection of energy's use, the heat loss and the possibility of their reducing, the energy efficiency of exhaust gas use, the possibility and ways of engine operating parameters improving and finally it will allowing to calculate the cooling and energy recovery systems.

  18. Equilibrium Molecular Thermodynamics from Kirkwood Sampling

    OpenAIRE

    Somani, Sandeep; Okamoto, Yuko; Ballard, Andrew J.; Wales, David J.

    2015-01-01

    We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys. 2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, wher...

  19. Bohm's quantum potential as an internal energy

    Energy Technology Data Exchange (ETDEWEB)

    Dennis, Glen, E-mail: gdennis502@gmail.com [TPRU, Birkbeck College, University of London, London, WC1E 7HX (United Kingdom); Gosson, Maurice A. de, E-mail: maurice.de.gosson@univie.ac.at [University of Vienna, Faculty of Mathematics, NuHAG, Oskar-Morgenstern-Platz 1, 1090 Vienna (Austria); Hiley, Basil J., E-mail: b.hiley@bbk.ac.uk [TPRU, Birkbeck College, University of London, London, WC1E 7HX (United Kingdom)

    2015-06-26

    Highlights: • The quantum potential is seen as internal energy associated with a phase space region. • Fermi's trick shows that Bohm's particle is an extended structure in phase space. • We associate Bohm's quantum potential with a context-dependent energy redistribution. • A physically motivated derivation of Schrodinger's equation is provided. • We show the Fermi set associated with a 3-D coherent state contains a quantum blob. - Abstract: We pursue our discussion of Fermi's surface initiated by Dennis, de Gosson and Hiley and show that Bohm's quantum potential can be viewed as an internal energy of a quantum system, giving further insight into its role in stationary states. This implies that the ‘particle’ referred to in Bohm's theory is not a classical point-like object but rather has an extended structure in phase space which can be linked to the notion of a symplectic capacity, a topological feature of the underlying symplectic geometry. This structure provides us with a new, physically motivated derivation of Schrödinger's equation provided we interpret Gleason's theorem as a derivation of the Born rule from fundamental assumptions about quantum probabilities.

  20. Characterizing multiple solutions to the time-energy canonical commutation relation via internal symmetries

    International Nuclear Information System (INIS)

    Caballar, Roland Cristopher F.; Ocampo, Leonard R.; Galapon, Eric A.

    2010-01-01

    Internal symmetries can be used to classify multiple solutions to the time-energy canonical commutation relation (TE-CCR). The dynamical behavior of solutions to the TE-CCR possessing particular internal symmetries involving time reversal differ significantly from solutions to the TE-CCR without those particular symmetries, implying a connection between the internal symmetries of a quantum system, its internal unitary dynamics, and the TE-CCR.

  1. Low energy methods of molecular laser isotope separation

    International Nuclear Information System (INIS)

    Makarov, G N

    2015-01-01

    Of the many proposals to date for laser-assisted isotope separation methods, isotope-selective infrared (IR) multiphoton dissociation (MPD) of molecules has been the most fully developed. This concept served as the basis for the development and operation of the carbon isotope separation facility in Kaliningrad, Russia. The extension of this method to heavy elements, including uranium, is hindered by, among other factors, the high power consumption and the lack of high-efficiency high-power laser systems. In this connection, research and development covering low energy methods for the laser separation of isotopes (including those of heavy atoms) is currently in high demand. This paper reviews approaches to the realization of IR-laser-induced isotope-selective processes, some of which are potentially the basis on which low-energy methods for molecular laser isotope separation can be developed. The basic physics and chemistry, application potential, and strengths and weaknesses of these approaches are discussed. Potentially promising alternatives to the title methods are examined. (reviews of topical problems)

  2. Soft matter interactions at the molecular scale: interaction forces and energies between single hydrophobic model peptides.

    Science.gov (United States)

    Stock, Philipp; Utzig, Thomas; Valtiner, Markus

    2017-02-08

    In all realms of soft matter research a fundamental understanding of the structure/property relationships based on molecular interactions is crucial for developing a framework for the targeted design of soft materials. However, a molecular picture is often difficult to ascertain and yet essential for understanding the many different competing interactions at play, including entropies and cooperativities, hydration effects, and the enormous design space of soft matter. Here, we characterized for the first time the interaction between single hydrophobic molecules quantitatively using atomic force microscopy, and demonstrated that single molecular hydrophobic interaction free energies are dominated by the area of the smallest interacting hydrophobe. The interaction free energy amounts to 3-4 kT per hydrophobic unit. Also, we find that the transition state of the hydrophobic interactions is located at 3 Å with respect to the ground state, based on Bell-Evans theory. Our results provide a new path for understanding the nature of hydrophobic interactions at the single molecular scale. Our approach enables us to systematically vary hydrophobic and any other interaction type by utilizing peptide chemistry providing a strategic advancement to unravel molecular surface and soft matter interactions at the single molecular scale.

  3. Hope over fear. The establishment of the International Atomic Energy Agency

    International Nuclear Information System (INIS)

    Forland, A.

    1995-01-01

    President Eisenhower's ''Atoms for Peace'' speech in 1953 started a process that led to the establishment of the International Atomic Energy Agency (IAEA). This study analyses the negotiations of the Statute of the Agency. It focuses on how the Agency's scope of action regarding safeguards was negotiated. The Statute is seen as a reflection of the dual purpose of the new Agency to promote peaceful uses of nuclear energy, and to control that peaceful nuclear activities receiving IAEA assistance are not diverted to military purposes. On one hand, the countries receiving assistance from the Agency accepted a degree of international control that represented a breakthrough in international relations. On the other hand, many countries strongly resented controls. Consequently, compromises had to be made in the course of the negotiations in order to reach a consensus. Thus, although the IAEA was established as a competent and technical body, the underlying compromises meant that its scope of actions was restricted. 6 refs

  4. Hope over fear. The establishment of the International Atomic Energy Agency

    Energy Technology Data Exchange (ETDEWEB)

    Forland, A.

    1995-12-01

    President Eisenhower`s ``Atoms for Peace`` speech in 1953 started a process that led to the establishment of the International Atomic Energy Agency (IAEA). This study analyses the negotiations of the Statute of the Agency. It focuses on how the Agency`s scope of action regarding safeguards was negotiated. The Statute is seen as a reflection of the dual purpose of the new Agency to promote peaceful uses of nuclear energy, and to control that peaceful nuclear activities receiving IAEA assistance are not diverted to military purposes. On one hand, the countries receiving assistance from the Agency accepted a degree of international control that represented a breakthrough in international relations. On the other hand, many countries strongly resented controls. Consequently, compromises had to be made in the course of the negotiations in order to reach a consensus. Thus, although the IAEA was established as a competent and technical body, the underlying compromises meant that its scope of actions was restricted. 6 refs.

  5. Determination of Factors Related to Students' Understandings of Heat, Temperature and Internal Energy Concepts

    Science.gov (United States)

    Gurcay, Deniz; Gulbas, Etna

    2018-01-01

    The purpose of this research is to investigate the relationships between high school students' learning approaches and logical thinking abilities and their understandings of heat, temperature and internal energy concepts. Learning Approach Questionnaire, Test of Logical Thinking and Three-Tier Heat, Temperature and Internal Energy Test were used…

  6. International comparison of energy price using a purchasing power parity

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Dong Hun; Jo, Sung Han [Korea Energy Economics Institute, Euiwang (Korea)

    1999-05-01

    The price control of government results in price distortion as well as lowering efficiency of energy market and distortion of allocating resources. Consequently, such a price policy leads to energy overconsumption and has negative influences on other policies trying to reduce environmental burden resulted from energy consumption. When the energy price does not reflect the market price properly, it results in inefficiency of energy industry and it makes very difficult to supply investment funds. Therefore, the government is planning to implement liberalization of energy price step by step. The purpose of this study is to provide basic materials for establishing a reasonable energy price policy through the international comparison among OECD countries on major products price focusing on petroleum products. To overcome problems of exchange rate, a purchasing power indicator from OECD was used for comparative analysis with OECD countries. 11 refs. 1 fig., 23 tabs.

  7. Proceedings of International Symposium on Energy Co-operation in North East Asia

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-06-01

    This proceedings are for the International Symposium on Energy Co-operation in North-East Asia, organized by Korea Energy Economics Institute, Institute of Energy Economics, Japan, and United Nations Economic and Social Commission for Asia and the Pacific, held on June 2001 at Sheraton Walker Hill Hotel in Seoul, Korea. The major themes discussed are following: 1.Energy Profile, Outlook and Perspectives on Regional Co-operation in Northeast Asia 2.Future Challenges in the Energy Sector in Northeast Asia 3.Perspectives of Energy Co-operation in Northeast Asia.

  8. Perspectives of nuclear energy peaceful uses. International conference

    International Nuclear Information System (INIS)

    Kerimov, Mahmud; Garibov, Adil

    2010-11-01

    Full text: The scientists from following countries (Usa, Pakistan, Russia, Azerbaijan, Spain, Uzbekistan, Iran) took part at the International Conference devoted to Perspectives of Nuclear Energy Peaceful Uses. The activity was conducted in five sections : Section 1 was devoted to perspectives and statuses on nuclear energy; Section 2 was devoted to radiation impact on the environment : radioecology situation, radiation security, existing problems and their solutions; Section 3 was devoted to radiation materiology (radiation chemistry, radiation physics, radiation effects in solid states). Section 4 was devoted to existing problems of nuclear and radiation security in our Azerbaijan Republic. Section 5 was devoted to radioecology situation, its problems and the ways of their solutions.

  9. Energy use and carbon emissions: Some international comparisons

    International Nuclear Information System (INIS)

    1994-03-01

    This report examines international energy use patterns, trends, and energy-related carbon emissions since 1970. The main focus of this study is on the developed countries, represented by the members of the organization for Economic Cooperation and Development (OECD). The study is organized as follows: (1) the OECD is placed in a world context; (2) aggregate-level information is then presented for an important part of the OECD, namely the Group of Seven (G-7) major industrialized countries (the US, Canada, Japan, the United Kingdom, France, Italy, and Germany -- defined in this report as western Germany only, except where indicated); and (3) individual economic sectors within the G-7 countries are broken out for detailed review

  10. Quantifying Nanoparticle Internalization Using a High Throughput Internalization Assay.

    Science.gov (United States)

    Mann, Sarah K; Czuba, Ewa; Selby, Laura I; Such, Georgina K; Johnston, Angus P R

    2016-10-01

    The internalization of nanoparticles into cells is critical for effective nanoparticle mediated drug delivery. To investigate the kinetics and mechanism of internalization of nanoparticles into cells we have developed a DNA molecular sensor, termed the Specific Hybridization Internalization Probe - SHIP. Self-assembling polymeric 'pHlexi' nanoparticles were functionalized with a Fluorescent Internalization Probe (FIP) and the interactions with two different cell lines (3T3 and CEM cells) were studied. The kinetics of internalization were quantified and chemical inhibitors that inhibited energy dependent endocytosis (sodium azide), dynamin dependent endocytosis (Dyngo-4a) and macropinocytosis (5-(N-ethyl-N-isopropyl) amiloride (EIPA)) were used to study the mechanism of internalization. Nanoparticle internalization kinetics were significantly faster in 3T3 cells than CEM cells. We have shown that ~90% of the nanoparticles associated with 3T3 cells were internalized, compared to only 20% of the nanoparticles associated with CEM cells. Nanoparticle uptake was via a dynamin-dependent pathway, and the nanoparticles were trafficked to lysosomal compartments once internalized. SHIP is able to distinguish between nanoparticles that are associated on the outer cell membrane from nanoparticles that are internalized. This study demonstrates the assay can be used to probe the kinetics of nanoparticle internalization and the mechanisms by which the nanoparticles are taken up by cells. This information is fundamental for engineering more effective nanoparticle delivery systems. The SHIP assay is a simple and a high-throughput technique that could have wide application in therapeutic delivery research.

  11. Energy level alignment and molecular conformation at rubrene/Ag interfaces: Impact of contact contaminations on the interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sinha, Sumona, E-mail: sumona.net.09@gmail.com [Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Wang, C.-H. [National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China); Mukherjee, M. [Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India)

    2017-07-01

    Highlights: • Impact of contact contaminations on the energy level alignment and molecular conformation at rubrene/Ag interfaces. • Adventitious contamination layer was acted as a spacer layer between Ag substrate surface and rubrene molecular layer. • Hole injection barrier height and interface dipole at rubrene/Ag interfaces depend on the cleanliness of Ag substrate. • Molecular conformation as well as orientation controlled by the cleanliness of Ag surface. • Resulted different surface morphology of rubrene thin films on unclean and clean Ag substrate. - Abstract: This paper addresses the impact of electrode contaminations on the interfacial energy level alignment, the molecular conformation, orientation and surface morphology deposited organic film at organic semiconductor/noble metal interfaces by varying of film thickness from sub-monolayer to multilayer, which currently draws significant attention with regard to its application in organic electronics. The UHV clean Ag and unclean Ag were employed as substrate whereas rubrene was used as an organic semiconducting material. The photoelectron spectroscopy (XPS and UPS) was engaged to investigate the evolution of interfacial energetics; polarization dependent near edge x-ray absorption fine structure spectroscopy (NEXAFS) was employed to understand the molecular conformation as well as orientation whereas atomic force microscopy (AFM) was used to investigate the surface morphologies of the films. The adventitious contamination layer was acted as a spacer layer between clean Ag substrate surface and rubrene molecular layer. As a consequence, hole injection barrier height, interface dipole as well as molecular-conformation, molecular-orientation and surface morphology of rubrene thin films were found to depend on the cleanliness of Ag substrate. The results have important inferences about the understanding of the impact of substrate contamination on the energy level alignment, the molecular conformation

  12. Molecularly Stretchable Electronics for Energy and Healthcare

    Science.gov (United States)

    Lipomi, Darren

    The term ``plastic electronics'' masks the wide range of mechanical behavior possessed by films of π-conjugated (semiconducting) small molecules and polymers. Such materials are promising for biosensors, large-area displays, low-energy lighting, and low-cost photovoltaic modules. There is also an apparent trade-off between electronic performance and mechanical compliance in films of some of the best-performing semiconducting polymers, which fracture at tensile strains not significantly greater than those at which conventional inorganic semiconductors fail. The design of intrinsically deformable electronic materials-i.e., imagine a semiconducting rubber band-would facilitate roll-to-roll production, mechanical robustness for potable applications, and conformal bonding to curved surfaces. This seminar describes my group's efforts to understand and control the structural parameters that influence the mechanical properties of π-conjugated polymers. The techniques we employ include synthetic chemistry, spectroscopy and microstructural characterization, computation from the molecular to continuum level, and electrical measurements of devices. A complex picture emerges for the interplay between molecular structure, the way the process of solidification influences the morphology, and how molecular structure and morphology combine to produce a film with a given modulus, elastic range, ductility, and toughness. We are also exploring ways to introduce other properties into organic semiconductors that are inspired by biological tissue. That is, not just elasticity and toughness, but also biodegradability and the capacity for self-repair. The seminar will also touch on our use of self-assembled metallic nanoislands on graphene for ultra-sensitive mechanical sensing using piezoresistive and ``piezoplasmonic'' mechanisms. The applications for these materials are in detecting human motion and measuring the mechanics of cardiac and musculoskeletal cells. My group is broadly

  13. ICENES '91:Sixth international conference on emerging nuclear energy systems

    International Nuclear Information System (INIS)

    1991-01-01

    This document contains the program and abstracts of the sessions at the Sixth International Conference on Emerging Nuclear Energy Systems held June 16--21, 1991 at Monterey, California. These sessions included: The plenary session, fission session, fission and nonelectric session, poster session 1P; (space propulsion, space nuclear power, electrostatic confined fusion, fusion miscellaneous, inertial confinement fusion, μ-catalyzed fusion, and cold fusion); Advanced fusion session, space nuclear session, poster session 2P, (nuclear reactions/data, isotope separation, direct energy conversion and exotic concepts, fusion-fission hybrids, nuclear desalting, accelerator waste-transmutation, and fusion-based chemical recycling); energy policy session, poster session 3P (energy policy, magnetic fusion reactors, fission reactors, magnetically insulated inertial fusion, and nuclear explosives for power generation); exotic energy storage and conversion session; and exotic energy storage and conversion; review and closing session

  14. Conversion of light-energy into molecular strain in the photocycle of the photoactive yellow protein.

    Science.gov (United States)

    Gamiz-Hernandez, Ana P; Kaila, Ville R I

    2016-01-28

    The Photoactive Yellow Protein (PYP) is a light-driven photoreceptor, responsible for the phototaxis of halophilic bacteria. Recently, a new short-lived intermediate (pR0) was characterized in the PYP photocycle using combined time-resolved X-ray crystallography and density functional theory calculations. The pR0 species was identified as a highly contorted cis-intermediate, which is stabilized by hydrogen bonds with protein residues. Here we show by hybrid quantum mechanics/classical mechanics (QM/MM) molecular dynamics simulations, and first-principles calculations of optical properties, that the optical shifts in the early steps of the PYP photocycle originate from the conversion of light energy into molecular strain, stored in the pR0 state, and its relaxation in subsequent reaction steps. Our calculations quantitatively reproduce experimental data, which enables us to identify molecular origins of the optical shifts. Our combined approach suggests that the short-lived pR0 intermediate stores ∼1/3 of the photon energy as molecular strain, thus providing the thermodynamic driving force for later conformational changes in the protein.

  15. Spatial and energy distributions of the fragments resulting from the dissociation of swift molecular ions in solids

    International Nuclear Information System (INIS)

    Heredia-Avalos, Santiago; Garcia-Molina, Rafael; Abril, Isabel

    2002-01-01

    We have simulated the spatial evolution and energy loss of the fragments that result when swift molecular ions dissociate inside solid targets. In our calculations we have considered that these fragments undergo the following interactions: Coulomb repulsion (among like charged particles), stopping and wake forces (due to electronic excitations induced in the target), and nuclear scattering (with the target nuclei). We study the case of silicon targets irradiated with boron molecular or atomic ions; our results show that the main differences in the energy and spatial distributions of molecular fragments or atomic ions appear at shallow regions, and these tend to disappear at deeper depths

  16. Vibrational energy on surfaces: Ultrafast flash-thermal conductance of molecular monolayers

    Science.gov (United States)

    Dlott, Dana

    2008-03-01

    Vibrational energy flow through molecules remains a perennial problem in chemical physics. Usually vibrational energy dynamics are viewed through the lens of time-dependent level populations. This is natural because lasers naturally pump and probe vibrational transitions, but it is also useful to think of vibrational energy as being conducted from one location in a molecule to another. We have developed a new technique where energy is driven into a specific part of molecules adsorbed on a metal surface, and ultrafast nonlinear coherent vibrational spectroscopy is used to watch the energy arrive at another part. This technique is the analog of a flash thermal conductance apparatus, except it probes energy flow with angstrom spatial and femtosecond temporal resolution. Specific examples to be presented include energy flow along alkane chains, and energy flow into substituted benzenes. Ref: Z. Wang, J. A. Carter, A. Lagutchev, Y. K. Koh, N.-H. Seong, D. G. Cahill, and D. D. Dlott, Ultrafast flash thermal conductance of molecular chains, Science 317, 787-790 (2007). This material is based upon work supported by the National Science Foundation under award DMR 0504038 and the Air Force Office of Scientific Research under award FA9550-06-1-0235.

  17. E-Commerce for Energy: International Tendency and a Scheme for Domestic Activation

    Energy Technology Data Exchange (ETDEWEB)

    Lim, J.K. [Korea Energy Economics Institute, Euiwang (Korea)

    2001-11-01

    The 'new', 'digital' or 'internet' economy has become a widely used term to describe a number of significant developments in the way that technology is used in the economy. In general, this new term refers to the expanded use and the rapid increase in innovation in information and communications technologies(ICT) and the impacts of productivity and economic growth that these are reported to generate. This paper introduced various research results on the current and future trends of the fast growing new economy and analysed the impacts of it on economy and energy consumption behaviour. Based upon the investigation on the current movement in international and domestic energy e-business, this paper also proposed a strategy of Korean economy, especially of energy industries, for a subject, that is, which policies and directions Korean energy industries will have to take in complying with the new and fast moving economies as well as in strengthening international competitiveness of Korean economy and energy industries. (author). 29 refs., 12 figs., 21 tabs.

  18. Study of energy partitioning using a set of related explosive formulations

    Science.gov (United States)

    Lieber, Mark; Foster, Joseph C.; Stewart, D. Scott

    2012-03-01

    Condensed phase high explosives convert potential energy stored in the electro-magnetic field structure of complex molecules to high power output during the detonation process. Historically, the explosive design problem has focused on intramolecular energy storage. The molecules of interest are derived via molecular synthesis providing near stoichiometric balance on the physical scale of the molecule. This approach provides prompt reactions based on transport physics at the molecular scale. Modern material design has evolved to approaches that employ intermolecular ingredients to alter the spatial and temporal distribution of energy release. State of the art continuum methods have been used to study this approach to the materials design. Cheetah has been used to produce data for a set of fictitious explosive formulations based on C-4 to study the partitioning of the available energy between internal and kinetic energy in the detonation. The equation of state information from Cheetah has been used in ALE3D to develop an understanding of the relationship between variations in the formulation parameters and the internal energy cycle in the products.

  19. Sensitivity of ion-induced sputtering to the radial distribution of energy transfers: A molecular dynamics study

    International Nuclear Information System (INIS)

    Mookerjee, S.; Khan, S. A.; Roy, A.; Beuve, M.; Toulemonde, M.

    2008-01-01

    Using different models for the deposition of energy on the lattice and a classical molecular dynamics approach to the subsequent transport, we evaluate how the details of the energy deposition model influence sputtering yield from a Lennard-Jones target irradiated with a MeV/u ion beam. Two energy deposition models are considered: a uniform, instantaneous deposition into a cylinder of fixed radius around the projectile ion track, used in earlier molecular dynamics and fluid dynamics simulations of sputtering yields; and an energy deposition distributed in time and space based on the formalism developed in the thermal spike model. The dependence of the sputtering yield on the total energy deposited on the target atoms is very sensitive to the energy deposition model. To clarify the origin of this strong dependence, we explore the role of the radial expansion of the electronic system prior to the transfer of its energy to the lattice. The results imply that observables such as the sputtering yield may be used as signatures of the fast electron-lattice energy transfer in the electronic energy-loss regime, and indicate the need for more experimental and theoretical investigations of these processes

  20. Measuring the internal energy content of molecules transported across the liquid-gas interface

    International Nuclear Information System (INIS)

    Maselli, Olivia J; Gascooke, Jason R; Buntine, Mark A; Lawrance, Warren D

    2009-01-01

    Many details concerning the mechanism associated with the liberation of molecules from a liquid surface remain to be elucidated. We use the liquid microjet technique coupled with laser spectroscopy to measure the rotational and vibrational energy content of benzene spontaneously evaporating from a water-ethanol solution. These measurements provide molecular level insight into the mass and energy transfer processes associated with evaporation.

  1. Measuring the internal energy content of molecules transported across the liquid-gas interface

    Energy Technology Data Exchange (ETDEWEB)

    Maselli, Olivia J; Gascooke, Jason R; Buntine, Mark A [School of Chemistry and Physics, University of Adelaide, SA 5005 (Australia); Lawrance, Warren D, E-mail: m.buntine@curtin.edu.a [School of Chemistry, Physics and Earth Sciences, Flinders University, GPO Box 2100, Adelaide SA 5000 (Australia)

    2009-09-01

    Many details concerning the mechanism associated with the liberation of molecules from a liquid surface remain to be elucidated. We use the liquid microjet technique coupled with laser spectroscopy to measure the rotational and vibrational energy content of benzene spontaneously evaporating from a water-ethanol solution. These measurements provide molecular level insight into the mass and energy transfer processes associated with evaporation.

  2. The European internal market and Nordic energy policy

    International Nuclear Information System (INIS)

    Grohnheit, P.E.; Hoier Nielsen, H.; Soerensen, H.

    1992-01-01

    The aim was to attempt to clarify the immediate consequences, and potentials for energy policy, for the authorities and supply companies in the Nordic countries in relation to the establishment of the Single Market. Potentials for the development of coordinated electricity supply and natural gas markets, and for cooperative Nordic research and initiatives are examined. Descriptions of conditions in other lands are given. It is stated that decisions on investments must now be taken within an open capital market with other traditions. There is a need for faster technology transfer. It is concluded that it will be difficult to develope trade related to natural gas between all the Nordic countries, but it should increase (also with regard to electricity) between the Nordic countries and their neighbour countries. Regarding electricity supply, lifting of existing rights of monopoly will result in weaker connections between producer and consumer and supply reliability will decrease. Natural gas supply reliability will be strengthened but producers will shoulder more market risks. Fusions will increase but a greater variation of company types and organization forms will develope. Competition will be sharper and prices for electric power could rise. Nordic energy policy will have a more international character, especially with regard to environmental protection. Long-term investment will be encouraged. The Nordic Council of Ministers will need to concentrate on information dissemination related to energy system analyses as a basis for decision-making. Export of Scandinavian hydroelectric power will contribute to international goals for environmental protection. (AB) (45 refs.)

  3. Heat conduction in chain polymer liquids: molecular dynamics study on the contributions of inter- and intramolecular energy transfer.

    Science.gov (United States)

    Ohara, Taku; Yuan, Tan Chia; Torii, Daichi; Kikugawa, Gota; Kosugi, Naohiro

    2011-07-21

    In this paper, the molecular mechanisms which determine the thermal conductivity of long chain polymer liquids are discussed, based on the results observed in molecular dynamics simulations. Linear n-alkanes, which are typical polymer molecules, were chosen as the target of our studies. Non-equilibrium molecular dynamics simulations of bulk liquid n-alkanes under a constant temperature gradient were performed. Saturated liquids of n-alkanes with six different chain lengths were examined at the same reduced temperature (0.7T(c)), and the contributions of inter- and intramolecular energy transfer to heat conduction flux, which were identified as components of heat flux by the authors' previous study [J. Chem. Phys. 128, 044504 (2008)], were observed. The present study compared n-alkane liquids with various molecular lengths at the same reduced temperature and corresponding saturated densities, and found that the contribution of intramolecular energy transfer to the total heat flux, relative to that of intermolecular energy transfer, increased with the molecular length. The study revealed that in long chain polymer liquids, thermal energy is mainly transferred in the space along the stiff intramolecular bonds. This finding implies a connection between anisotropic thermal conductivity and the orientation of molecules in various organized structures with long polymer molecules aligned in a certain direction, which includes confined polymer liquids and self-organized structures such as membranes of amphiphilic molecules in water.

  4. Bombardment of Ni(100) surface with low-energy argons: molecular dynamics simulations

    International Nuclear Information System (INIS)

    Guevenc, Ziya B.; Hippler, Rainer; Jackson, Bret

    2005-01-01

    Results of molecular dynamics simulations of the sputtering of Ni(100) by Ar atoms are reported. The solid is described by an embedded atom potential, and the interaction between the projectile and the metal atoms is modelled by a Morse-like function. Processes leading to Ni atom emissions from the lattice are analysed over the energy range of 70-80 eV. In this energy range cluster (larger than three atoms) emission is not observed. The maximum penetration depth of Ar, the kinetic energy and angular distributions of the reflected Ar, and the sputtered Ni atoms are evaluated as functions of the impact energy and sputtering time. The computed sputtering yield is compared with the available theoretical and experimental data

  5. International institutions for nuclear energy: issues of assessment and design

    International Nuclear Information System (INIS)

    Harris, W.R.

    1978-01-01

    Among the more attractive of candidate institutions and rules-of-trade for advanced fuel cycles are: extension of full-scope International Atomic Energy Agency (IAEA) safeguards as a condition of fuel assurances or technology transfer; international jurisdiction over spent fuel (custody or ownership); an IAEA remote near-real-time verification system for spent fuel remaining under national management; a convention on uniform nuclear fuel identification (tagging) designed to assist safeguards planners, trace diversionary pathways, assign liability, and enhance the credibility of fuel-cycle sanctions; international nuclear service centers for bulk processing operations (heavy water production, enrichment and reprocessing); and fuel-cycle specific regulations. Some risk-reduction measures, for example on internationally managed, remote shutdown and restart-delay system for bulk processing facilities, raise questions of acceptability. Despite uncertainties about international acceptability and hazards of enrichment technology transfer later in this century, it appears feasible to reduce proliferation risks associated with nuclear fuel cycles - existing ones and those under review within the International Nuclear Fuel Cycle Evaluation (INFCE). 6 refereces

  6. International Conference on Intelligent Systems for Molecular Biology (ISMB)

    Energy Technology Data Exchange (ETDEWEB)

    Goldberg, Debra; Hibbs, Matthew; Kall, Lukas; Komandurglayavilli, Ravikumar; Mahony, Shaun; Marinescu, Voichita; Mayrose, Itay; Minin, Vladimir; Neeman, Yossef; Nimrod, Guy; Novotny, Marian; Opiyo, Stephen; Portugaly, Elon; Sadka, Tali; Sakabe, Noboru; Sarkar, Indra; Schaub, Marc; Shafer, Paul; Shmygelska, Olena; Singer, Gregory; Song, Yun; Soumyaroop, Bhattacharya; Stadler, Michael; Strope, Pooja; Su, Rong; Tabach, Yuval; Tae, Hongseok; Taylor, Todd; Terribilini, Michael; Thomas, Asha; Tran, Nam; Tseng, Tsai-Tien; Vashist, Akshay; Vijaya, Parthiban; Wang, Kai; Wang, Ting; Wei, Lai; Woo, Yong; Wu, Chunlei; Yamanishi, Yoshihiro; Yan, Changhui; Yang, Jack; Yang, Mary; Ye, Ping; Zhang, Miao

    2009-12-29

    The Intelligent Systems for Molecular Biology (ISMB) conference has provided a general forum for disseminating the latest developments in bioinformatics on an annual basis for the past 13 years. ISMB is a multidisciplinary conference that brings together scientists from computer science, molecular biology, mathematics and statistics. The goal of the ISMB meeting is to bring together biologists and computational scientists in a focus on actual biological problems, i.e., not simply theoretical calculations. The combined focus on "intelligent systems" and actual biological data makes ISMB a unique and highly important meeting, and 13 years of experience in holding the conference has resulted in a consistently well organized, well attended, and highly respected annual conference. The ISMB 2005 meeting was held June 25-29, 2005 at the Renaissance Center in Detroit, Michigan. The meeting attracted over 1,730 attendees. The science presented was exceptional, and in the course of the five-day meeting, 56 scientific papers, 710 posters, 47 Oral Abstracts, 76 Software demonstrations, and 14 tutorials were presented. The attendees represented a broad spectrum of backgrounds with 7% from commercial companies, over 28% qualifying for student registration, and 41 countries were represented at the conference, emphasizing its important international aspect. The ISMB conference is especially important because the cultures of computer science and biology are so disparate. ISMB, as a full-scale technical conference with refereed proceedings that have been indexed by both MEDLINE and Current Contents since 1996, bridges this cultural gap.

  7. Report to the International Atomic Energy Agency

    International Nuclear Information System (INIS)

    Woznicka, U.

    1986-07-01

    The results of research done under the International Atomic Energy Agency Contract no 4121/RB: 'Measurement of the thermal neutron macroscopic absorption cross-section on small samples' at the Institut of Nuclear Physics during the period from July 1, 1985 to June 30, 1986 are presented. The research was based on the Plexiglass thermal neutron diffusion parameters and on the method of preparation of the rock samples for the measurements according to the INP method. Three rock samples delivered by the IAEA: Ottawa Sand, Royer Dolomite and Dunite Sand have been measured. (author)

  8. Energy technologies at the cutting edge: international energy technology collaboration IEA Implementing Agreements

    Energy Technology Data Exchange (ETDEWEB)

    Pottinger, C. (ed.)

    2007-05-15

    Ensuring energy security and addressing climate change issues in a cost-effective way are the main challenges of energy policies and in the longer term will be solved only through technology cooperation. To encourage collaborative efforts to meet these energy challenges, the IEA created a legal contract - Implementing Agreement - and a system of standard rules and regulations. This allows interested member and non-member governments or other organisations to pool resources and to foster the research, development and deployment of particular technologies. For more than 30 years, this international technology collaboration has been a fundamental building block in facilitating progress of new or improved energy technologies. There are now 41 Implementing Agreements. This is the third in the series of publications highlighting the recent results and achievements of the IEA Implementing Agreements. This document is arranged in the following sections: Cross-cutting activities (sub-sectioned: Climate technology initiative; Energy Technology Data Eexchange; and Energy technology systems analysis programme); End-use technologies (sub-sectioned: Buildings; Electricity; Industry; and Transport; Fossil fuels (sub-sectioned: Clean Coal Centre; Enhanced oil recovery Fluidized bed conversion; Greenhouse Gas R & D; Multiphase flow sciences); Fusion power; Renewable energies and hydrogen; and For more information (including detail on the IEA energy technology network; IEA Secretariat Implementing Agreement support; and IEA framework. Addresses are given for the Implementing Agreements. The publication is based on core input from the Implementing Agreement Executive Committee.

  9. How does the plasmonic enhancement of molecular absorption depend on the energy gap between molecular excitation and plasmon modes: a mixed TDDFT/FDTD investigation.

    Science.gov (United States)

    Sun, Jin; Li, Guang; Liang, WanZhen

    2015-07-14

    A real-time time-dependent density functional theory coupled with the classical electrodynamics finite difference time domain technique is employed to systematically investigate the optical properties of hybrid systems composed of silver nanoparticles (NPs) and organic adsorbates. The results demonstrate that the molecular absorption spectra throughout the whole energy range can be enhanced by the surface plasmon resonance of Ag NPs; however, the absorption enhancement ratio (AER) for each absorption band differs significantly from the others, leading to the quite different spectral profiles of the hybrid complexes in contrast to those of isolated molecules or sole NPs. Detailed investigations reveal that the AER is sensitive to the energy gap between the molecular excitation and plasmon modes. As anticipated, two separate absorption bands, corresponding to the isolated molecules and sole NPs, have been observed at a large energy gap. When the energy gap approaches zero, the molecular excitation strongly couples with the plasmon mode to form the hybrid exciton band, which possesses the significantly enhanced absorption intensity, a red-shifted peak position, a surprising strongly asymmetric shape of the absorption band, and the nonlinear Fano effect. Furthermore, the dependence of surface localized fields and the scattering response functions (SRFs) on the geometrical parameters of NPs, the NP-molecule separation distance, and the external-field polarizations has also been depicted.

  10. Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division

    Energy Technology Data Exchange (ETDEWEB)

    Crocombette, Jean-Paul, E-mail: jpcrocombette@cea.fr [CEA, DEN, Service de Recherches de Métallurgie Physique, UPSay, F-91191 Gif-sur-Yvette (France); Van Brutzel, Laurent [CEA, DEN, Service de Corrosion et du Comportement des Matériaux dans leur Environnement, UPSay, F-91191 Gif-sur-Yvette (France); Simeone, David [CEA, DEN, Service de Recherches de Métallurgie Appliqué, Matériaux Fonctionnels pour l' Energie, CNRS-CEA-ECP, UPSay, F-91191 Gif-sur-Yvette (France); Luneville, Laurence [CEA, DEN, Service d' Etudes des Réacteurs et de Mathématiques Appliquées, Matériaux Fonctionnels pour l' Energie, CNRS-CEA-ECP, UPSay, F-91191 Gif-sur-Yvette (France)

    2016-06-15

    Displacement cascades have been calculated in two ordered alloys (Ni{sub 3}Al and UO{sub 2}) in the molecular dynamics framework using the CMDC (Cell Molecular Dynamics for Cascade) code (J.-P. Crocombette and T. Jourdan, Nucl. Instrum. Meth. B 352, 9 (2015)) for energies ranking between 0.1 and 580 keV. The defect production has been compared to the prediction of the NRT (Norgett, Robinson and Torrens) standard. One observes a decrease with energy of the number of defects compared to the NRT prediction at intermediate energies but, unlike what is commonly observed in elemental solids, the number of produced defects does not always turn to a linear variation with ballistic energy at high energies. The fragmentation of the cascade into subcascades has been studied through the analysis of surviving defect pockets. It appears that the common knowledge equivalence of linearity of defect production and subcascades division does not hold in general for alloys. We calculate the average number of subcascades and average number of defects per subcascades as a function of ballistic energy. We find an unexpected variety of behaviors for these two average quantities above the threshold for subcascade formation.

  11. Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division

    International Nuclear Information System (INIS)

    Crocombette, Jean-Paul; Van Brutzel, Laurent; Simeone, David; Luneville, Laurence

    2016-01-01

    Displacement cascades have been calculated in two ordered alloys (Ni_3Al and UO_2) in the molecular dynamics framework using the CMDC (Cell Molecular Dynamics for Cascade) code (J.-P. Crocombette and T. Jourdan, Nucl. Instrum. Meth. B 352, 9 (2015)) for energies ranking between 0.1 and 580 keV. The defect production has been compared to the prediction of the NRT (Norgett, Robinson and Torrens) standard. One observes a decrease with energy of the number of defects compared to the NRT prediction at intermediate energies but, unlike what is commonly observed in elemental solids, the number of produced defects does not always turn to a linear variation with ballistic energy at high energies. The fragmentation of the cascade into subcascades has been studied through the analysis of surviving defect pockets. It appears that the common knowledge equivalence of linearity of defect production and subcascades division does not hold in general for alloys. We calculate the average number of subcascades and average number of defects per subcascades as a function of ballistic energy. We find an unexpected variety of behaviors for these two average quantities above the threshold for subcascade formation.

  12. A proposal to establish an international network in molecular microbiology and genetic engineering for scientific cooperation and prevention of misuse of biological sciences in the framework of science for peace

    International Nuclear Information System (INIS)

    Becker, Y.

    1998-01-01

    The conference on 'Science and Technology for Construction of Peace' which was organized by the Landau Network Coordination Center and A. Volta Center for Scientific Culture dealt with conversion of military and technological capacities into sustainable civilian application. The ideas regarding the conversion of nuclear warheads into nuclear energy for civilian-use led to the idea that the extension of this trend of thought to molecular biology and genetic engineering, will be a useful contribution to Science for Peace. This idea of developing a Cooperation Network in Molecular Biology and Genetic Engineering that will function parallel to and with the Landau Network Coordination in the 'A. Volta' Center was discussed in the Second International Symposium on Science for Peace, Jerusalem, January 1997. It is the reason for the inclusion of the biological aspects in the deliberations of our Forum. It is hoped that the establishment of an international network in molecular biology and genetic engineering, similar to the Landau Network in physics, will support and achieve the decommissioning of biological weapons. Such a network in microbiology and genetic engineering will contribute to the elimination of biological weapons and to contributions to Science for Peace and to Culture of Peace activities of UNESCO. (author)

  13. 14th international symposium on molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    1992-09-01

    This report discusses research being conducted with molecular beams. The general topic areas are as follows: Clusters I; reaction dynamics; atomic and molecular spectroscopy; clusters II; new techniques; photodissociation & dynamics; and surfaces.

  14. 14th international symposium on molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    1992-01-01

    This report discusses research being conducted with molecular beams. The general topic areas are as follows: Clusters I; reaction dynamics; atomic and molecular spectroscopy; clusters II; new techniques; photodissociation dynamics; and surfaces.

  15. International Energy Agency 2012 Annual Report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-06-01

    The IEA Executive Director’s Annual Report 2012 is the first of a regular annual series reporting on the IEA’s operational and organisational achievements, as well as challenges and events over the year. It is presented to the IEA Governing Board and released publicly to ensure transparency and also to take stock of the organisation’s activities from a strategic perspective. 2012 was a transitional year for the IEA, given fundamental changes in the global energy economy as well as internal management and budget issues. At the same time demand for IEA products set new records, and the public and political impact of IEA work through effective communication was measured as high.

  16. Draft nuclear energy policy statement for DOE report to the International Energy Agency: long version

    International Nuclear Information System (INIS)

    1994-01-01

    US national energy policy recognizes that the continued development of commercial nuclear power in the United States is vital to US national security and energy stability since it is a significant domestic energy resource that is relatively free from international pressures. As of this writing (August 1989) the United States had 108 nuclear power reactors in commercial status. In January 1989 nuclear energy produced 46 billion KwH or 20% of total US electricity generated in contrast to 45 billion KwH (18.8%) produced in January 1988. The US Federal Government has been engaged in a variety of activities to ensure that nuclear energy remains a safe, economically competitive and environmentally acceptable option. Much of the federal effort in recent months has been devoted to developing initiatives designed to remove institutional and regulatory obstacles to the continued use of nuclear power as part of the US energy system. Within this context, the following paragraphs summarize the major features of the current status of the US nuclear energy program and policies

  17. The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations

    KAUST Repository

    Wang, N

    2014-05-16

    The growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures were simulated by varying the deposition energy of carbon atoms in the range of 1-120 eV. Intrinsic film characteristics (e.g. density and internal stress) were determined after the system reached equilibrium. Short- and intermediate-range carbon atom ordering is examined in the context of atomic hybridization and ring connectivity simulation results. It is shown that relatively high deposition energy (i.e., 80 eV) yields a multilayer film structure consisting of an intermixing layer, bulk film and surface layer, consistent with the classical subplantation model. The highest film density (3.3 g cm-3), sp3 fraction (∼43%), and intermediate-range carbon atom ordering correspond to a deposition energy of ∼80 eV, which is in good agreement with experimental findings. © 2014 IOP Publishing Ltd.

  18. The development of the Dutch wind energy technology in an international perspective

    International Nuclear Information System (INIS)

    Beurskens, H.J.M.

    1990-01-01

    An overview is given of the developments in the Dutch wind energy industry and the position of that industry in the industrialized world. First attention is paid to some historical developments of the modern wind energy technology in the Netherlands compared to some other countries. The start of the Integral Wind energy Program (IPW) at the end of 1985 brought the Dutch know-how of wind energy back on the international level. Next a brief overview is given of governmental wind energy programs which resulted in various projects aimed at designing, testing and implementing wind turbines in the Netherlands. Here too a comparison is made with other countries concerning the realized capacity, investments, and attempts to commercialize the wind turbines. The technological developments in the Netherlands can be characterized as gradual: step-by-step larger wind turbines (i.e. larger capacities) will be developed. The development of multi-megawatt turbines is too risky and too costly at present. Some final remarks state that the present position of the Dutch wind energy industry and the Dutch research activities are good starting-points to realize an important part of the wind energy capacity in Europe, or even the world. Recommendations are given by which the Dutch wind energy industry can operate with success on the international market. 5 figs., 3 tabs., 2 refs

  19. Study of bond-energy variations in molecular systems under irradiation; Etude de la variation de l'energie de liaison dans les systemes moleculaires irradies

    Energy Technology Data Exchange (ETDEWEB)

    Naudet, G; Passe, S [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-07-01

    On the basis of experimental results selected from publications, the evolution of the bond energy of a molecular system under irradiation - leading to a more or less bound state - is studied. This variation of bond energy is then compared to the total bond energy of the initial system and to the energy absorbed in the system during the irradiation. This is done as a function of the nature of molecular system and the radiation spectrum and intensity. Our working method will first be explained, and the results obtained will then be given. (authors) [French] A l'aide de resultats experimentaux, selectionnes dans les publications, nous etudions l'evolution de l'energie de liaison d'un systeme moleculaire sous irradiation (evolution vers un etat plus ou moins lie), et nous comparons cette variation d'energie de liaison a l'energie totale de liaison du systeme initial et a l'energie absorbee dans le systeme au cours de l'irradiation. Ceci est fait en fonction de la nature du systeme moleculaire ainsi que du spectre et de l'intensite du rayonnement. Nous exposons d'abord notre methode de travail, puis les resultats obtenus. (auteurs)

  20. Towards consistent and reliable Dutch and international energy statistics for the chemical industry

    International Nuclear Information System (INIS)

    Neelis, M.L.; Pouwelse, J.W.

    2008-01-01

    Consistent and reliable energy statistics are of vital importance for proper monitoring of energy-efficiency policies. In recent studies, irregularities have been reported in the Dutch energy statistics for the chemical industry. We studied in depth the company data that form the basis of the energy statistics in the Netherlands between 1995 and 2004 to find causes for these irregularities. We discovered that chemical products have occasionally been included, resulting in statistics with an inconsistent system boundary. Lack of guidance in the survey for the complex energy conversions in the chemical industry in the survey also resulted in large fluctuations for certain energy commodities. The findings of our analysis have been the basis for a new survey that has been used since 2007. We demonstrate that the annual questionnaire used for the international energy statistics can result in comparable problems as observed in the Netherlands. We suggest to include chemical residual gas as energy commodity in the questionnaire and to include the energy conversions in the chemical industry in the international energy statistics. In addition, we think the questionnaire should be explicit about the treatment of basic chemical products produced at refineries and in the petrochemical industry to avoid system boundary problems

  1. 14th international symposium on molecular beams

    International Nuclear Information System (INIS)

    1992-01-01

    This report discusses research being conducted with molecular beams. The general topic areas are as follows: Clusters I; reaction dynamics; atomic and molecular spectroscopy; clusters II; new techniques; photodissociation ampersand dynamics; and surfaces

  2. Status report of the US Department of Energy's International Nuclear Safety Program

    International Nuclear Information System (INIS)

    1994-12-01

    The US Department of Energy (DOE) implements the US Government's International Nuclear Safety Program to improve the level of safety at Soviet-designed nuclear power plants in Central and Eastern Europe, Russia, and Unkraine. The program is conducted consistent with guidance and policies established by the US Department of State (DOS) and the Agency for International Development and in close collaboration with the Nuclear Regulatory Commission. Some of the program elements were initiated in 1990 under a bilateral agreement with the former Soviet Union; however, most activities began after the Lisbon Nuclear Safety Initiative was announced by the DOS in 1992. Within DOE, the program is managed by the International Division of the Office of Nuclear Energy. The overall objective of the International Nuclear Safety Program is to make comprehensive improvements in the physical conditions of the power plants, plant operations, infrastructures, and safety cultures of countries operating Soviet-designed reactors. This status report summarizes the Internatioal Nuclear Safety Program's activities that have been completed as of September 1994 and discusses those activities currently in progress

  3. Environment, 1986-1997. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    1998-04-01

    This catalogue lists all sales publications of the International Atomic Energy Agency dealing with Environment and issued during the period of 1986-1997. Some earlier titles which form part of an established series or are still considered of importance have been included. Most publications are in English. Proceedings of conferences, symposia and panels of experts may contain papers in languages other than English, but all of these papers have abstracts in English

  4. International Standardisation in the Field of Renewable Energy

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-03-15

    Renewable energy standards, regularly reviewed and updated by international committees of technical experts, can help policy makers as an instrument to demonstrate national regulatory compliance, as well as ensuring successful deployment of renewable energy technologies (RET). This study identifies over 570 standards in the current RET landscape, yet finds gaps in the existing standards, particularly for post-installation aspects of RET, such as operation, maintenance and repair. The study calls for a more structured information platform to make appropriate standards accessible to a variety of users. All stakeholders, including those from developing countries, need to be engaged in the standardisation process. IRENA's analysis also underlines the importance of RET certification schemes as a risk-mitigation tool, particularly to help small-scale projects obtain financing.

  5. The development of new energy technologies on a national and international scale

    International Nuclear Information System (INIS)

    Schmidt-Kuester, W.J.

    1976-01-01

    This is a survey of the development of new energy technologies 1) for medium- and long-term energy supply in the FRG, with a partial substitution for natural oil and gas; 2) to reduce the coupling between gross national product and energy; 3) to improve the competitive strength of the economy on an international scale. Boundary conditions are, among others the consideration of environmental protection and long-term energy supply at a reasonable price for the national economy. (HP) [de

  6. A Study on intensifying efficiency for international collaborative development of Advanced Nuclear Energy Technology

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Moon Hee; Kim, H. R.; Kim, H. J.; Chang, J. H.; Hahn, D. H.; Bae, Y. Y.; Kim, W. W.; Jeong, I.; Lee, D. S.; Lee, J. H. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2008-06-15

    Generation IV International Forum(GIF), where 13 countries including Korea collaborate to develop future nuclear energy systems, put into force 'Generation IV International Forum Project Arrangement' in 2007 for the international research and development of Gen IV Systems, following the entry into force of Framework Agreement in 2005. The International Nuclear Research Initiative(I-NERI) between Korea and United States and the International Project on Innovative Nuclear Energy Systems and Fuel Cycles(INPRO) of IAEA are continued in this year, produced lots of visible outcomes. These international activities have a common goal of the collaborative development of advanced nuclear system technologies but differ in the main focusing areas and aspects, so Korea needs to establish the integrated strategy based on the distinguished and complementary approach for the participation of each international programs, as examples the GIF for the advanced system technology development, INPRO for the set-up of institution and infra-structure, and I-NERI for the access of the core technologies and acquisition of the transparency of nuclear R and D.

  7. A Study on intensifying efficiency for international collaborative development of Advanced Nuclear Energy Technology

    International Nuclear Information System (INIS)

    Chang, Moon Hee; Kim, H. R.; Kim, H. J.; Chang, J. H.; Hahn, D. H.; Bae, Y. Y.; Kim, W. W.; Jeong, I.; Lee, D. S.; Lee, J. H.

    2008-06-01

    Generation IV International Forum(GIF), where 13 countries including Korea collaborate to develop future nuclear energy systems, put into force 'Generation IV International Forum Project Arrangement' in 2007 for the international research and development of Gen IV Systems, following the entry into force of Framework Agreement in 2005. The International Nuclear Research Initiative(I-NERI) between Korea and United States and the International Project on Innovative Nuclear Energy Systems and Fuel Cycles(INPRO) of IAEA are continued in this year, produced lots of visible outcomes. These international activities have a common goal of the collaborative development of advanced nuclear system technologies but differ in the main focusing areas and aspects, so Korea needs to establish the integrated strategy based on the distinguished and complementary approach for the participation of each international programs, as examples the GIF for the advanced system technology development, INPRO for the set-up of institution and infra-structure, and I-NERI for the access of the core technologies and acquisition of the transparency of nuclear R and D

  8. Energy, environment and technological innovation: Rome 2nd international congress

    International Nuclear Information System (INIS)

    1992-01-01

    From the three volumes containing the proceedings of the October 12-16, 1992 2nd International Congress on Energy, Environment and Technological Innovation held at the University of Rome 'La Sapienza', separate abstracts were prepared for 41 papers. The selection of papers included recent developments and research trends in the following high-tech areas: biomass plantations, wind turbines, photovoltaic power plants, solar architecture, building energy management, global warming, automobile air pollution abatement, district heating with cogeneration, and hydrogen fuels for transportation

  9. Molecular beacon – tool for real time studying gene activity in stem cells

    DEFF Research Database (Denmark)

    Ilieva, Mirolyuba; Dufva, Martin

    Cells respond to their internal genetic programs and external stimuli by modulating the synthesis of specific mRNAs. Direct observation of mRNA expression in living cells can provide valuable information with regards to understanding fundamental processes such cell differentiation, regeneration...... and cancerogenesis. Molecular beacon technology is based on fluorescence resonance energy transfer (FRET) and the complementary pairing principles. These fluorescent molecular probes are highly specific and sensitive and are one important tool in in vitro diagnostics. Here molecular beacons are used to follow...

  10. Sustainability in Energy and Buildings : Proceedings of the 3rd International Conference in Sustainability in Energy and Buildings

    CERN Document Server

    Namaane, Aziz; Howlett, Robert; Jain, Lakhmi

    2012-01-01

    Welcome to the proceedings of the Third International Conference on Sustainability in Energy and Buildings, SEB’11, held in Marseilles in France, organised by the Laboratoire des Sciences del'Information et des Systèmes (LSIS) in Marseille, France in partnership with KES International.   SEB'11 formed a welcome opportunity for researchers in subjects related to sustainability, renewable energy technology, and applications in the built environment to mix with other scientists, industrialists and stakeholders in the field.   The conference featured presentations on a range of renewable energy and sustainability related topics. In addition the conference explored two innovative themes: - the application of intelligent sensing, control, optimisation and modelling techniques to sustainability and - the technology of sustainable buildings.  These two themes combine synergetically to address issues relating to The Intelligent Building.   SEB’11 attracted a significant number of submissions from around the w...

  11. The Impact of Internal Wave Seasonality on the Continental Shelf Energy Budget

    Science.gov (United States)

    Wihsgott, Juliane U.; Sharples, Jonathan; Hopkins, Joanne; Palmer, Matthew R.; Mattias Green, J. A.

    2017-04-01

    Heating-stirring models are widely used to simulate the timing and strength of stratification in continental shelf environments. Such models are based on bulk potential energy (PE) budgets: the loss of PE due to thermal stratification is balanced by wind and tidal mixing. The model often fails to accurately predict the observed vertical structure, as it only considers forces acting on the surface and bottom boundary of the water column. This highlights the need for additional internal energy sources to close this budget, and produce an accurate seasonal cycle of stratification. We present new results that test the impact of boundary layer and internal wave forcing on stratification and vertical density structure in continental shelves. A new series of continuous measurements of full water depth vertical structure, dynamics and meteorological data spanning 17 months (March'14-July'15) provide unprecedented coverage over a full seasonal cycle at a station 120 km north-east from the continental shelf break. We observe a highly variable but energetic internal wave field from the onset of stratification that suggests a continuous supply of internal PE. The heating-stirring model reproduces bulk characteristics of the seasonal cycle. While it accurately predicts the timing of the onset in spring and peak stratification in late summer there is a persistent 20 J m-3 positive offset between the model and observations throughout this period. By including a source of internal energy in the model we improve the prediction for the strength of stratification and the vertical distribution of heat. Yet a constant source of PE seems to result in a seasonal discrepancy resulting in too little mixing during strong stratification and too much mixing during transient periods. The discrepancy seen in the model is consistent with the seasonality observed in the internal wave field. We will establish the role that changing stratification (N2) exerts on the internal wave field and vice

  12. Mixed matrix formulations with MOF molecular sieving for key energy-intensive separations

    KAUST Repository

    Liu, Gongping; Chernikova, Valeriya; Liu, Yang; Zhang, Kuang; Belmabkhout, Youssef; Shekhah, Osama; Zhang, Chen; Yi, Shouliang; Eddaoudi, Mohamed; Koros, William J.

    2018-01-01

    Membrane-based separations can improve energy efficiency and reduce the environmental impacts associated with traditional approaches. Nevertheless, many challenges must be overcome to design membranes that can replace conventional gas separation processes. Here, we report on the incorporation of engineered submicrometre-sized metal–organic framework (MOF) crystals into polymers to form hybrid materials that successfully translate the excellent molecular sieving properties of face-centred cubic (fcu)-MOFs into the resultant membranes. We demonstrate, simultaneously, exceptionally enhanced separation performance in hybrid membranes for two challenging and economically important applications: the removal of CO2 and H2S from natural gas and the separation of butane isomers. Notably, the membrane molecular sieving properties demonstrate that the deliberately regulated and contracted MOF pore-aperture size can discriminate between molecular pairs. The improved performance results from precise control of the linkers delimiting the triangular window, which is the sole entrance to the fcu-MOF pore. This rational-design hybrid approach provides a general toolbox for enhancing the transport properties of advanced membranes bearing molecular sieve fillers with sub-nanometre-sized pore-apertures.

  13. Mixed matrix formulations with MOF molecular sieving for key energy-intensive separations

    Science.gov (United States)

    Liu, Gongping; Chernikova, Valeriya; Liu, Yang; Zhang, Kuang; Belmabkhout, Youssef; Shekhah, Osama; Zhang, Chen; Yi, Shouliang; Eddaoudi, Mohamed; Koros, William J.

    2018-03-01

    Membrane-based separations can improve energy efficiency and reduce the environmental impacts associated with traditional approaches. Nevertheless, many challenges must be overcome to design membranes that can replace conventional gas separation processes. Here, we report on the incorporation of engineered submicrometre-sized metal-organic framework (MOF) crystals into polymers to form hybrid materials that successfully translate the excellent molecular sieving properties of face-centred cubic (fcu)-MOFs into the resultant membranes. We demonstrate, simultaneously, exceptionally enhanced separation performance in hybrid membranes for two challenging and economically important applications: the removal of CO2 and H2S from natural gas and the separation of butane isomers. Notably, the membrane molecular sieving properties demonstrate that the deliberately regulated and contracted MOF pore-aperture size can discriminate between molecular pairs. The improved performance results from precise control of the linkers delimiting the triangular window, which is the sole entrance to the fcu-MOF pore. This rational-design hybrid approach provides a general toolbox for enhancing the transport properties of advanced membranes bearing molecular sieve fillers with sub-nanometre-sized pore-apertures.

  14. Mixed matrix formulations with MOF molecular sieving for key energy-intensive separations

    KAUST Repository

    Liu, Gongping

    2018-02-09

    Membrane-based separations can improve energy efficiency and reduce the environmental impacts associated with traditional approaches. Nevertheless, many challenges must be overcome to design membranes that can replace conventional gas separation processes. Here, we report on the incorporation of engineered submicrometre-sized metal–organic framework (MOF) crystals into polymers to form hybrid materials that successfully translate the excellent molecular sieving properties of face-centred cubic (fcu)-MOFs into the resultant membranes. We demonstrate, simultaneously, exceptionally enhanced separation performance in hybrid membranes for two challenging and economically important applications: the removal of CO2 and H2S from natural gas and the separation of butane isomers. Notably, the membrane molecular sieving properties demonstrate that the deliberately regulated and contracted MOF pore-aperture size can discriminate between molecular pairs. The improved performance results from precise control of the linkers delimiting the triangular window, which is the sole entrance to the fcu-MOF pore. This rational-design hybrid approach provides a general toolbox for enhancing the transport properties of advanced membranes bearing molecular sieve fillers with sub-nanometre-sized pore-apertures.

  15. Molecular-dynamics simulation of defect formation energy in boron nitride nanotubes

    International Nuclear Information System (INIS)

    Moon, W.H.; Hwang, H.J.

    2004-01-01

    We investigate the defect formation energy of boron nitride nanotubes (BNNTs) using molecular dynamics simulation. Although the defect with tetragon-octagon pairs (TOP) is favored in the flat BNNTs cap, BN clusters, and the growth of BNNTs, the formation energy of the TOP defect is significantly higher than that of the pentagon-heptagon pairs (PHP) defect in BNNTs. The PHP defect reduces the effect of the structural distortion caused by the TOP defect, in spite of homoelemental bonds. The instability of the TOP defect generates the structural transformation into BNNTs with no defect at about 1500 K. This mechanism shows that the TOP defect is less favored in case of BNNTs

  16. Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energies

    Energy Technology Data Exchange (ETDEWEB)

    Daily, Michael D. [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Chun, Jaehun [Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Heredia-Langner, Alejandro [National Security Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Wei, Guowei [Department of Mathematics, Michigan State University, East Lansing, Michigan 48824 (United States); Baker, Nathan A. [Computational and Statistical Analytics Division, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

    2013-11-28

    Implicit solvent models are important tools for calculating solvation free energies for chemical and biophysical studies since they require fewer computational resources but can achieve accuracy comparable to that of explicit-solvent models. In past papers, geometric flow-based solvation models have been established for solvation analysis of small and large compounds. In the present work, the use of realistic experiment-based parameter choices for the geometric flow models is studied. We find that the experimental parameters of solvent internal pressure p = 172 MPa and surface tension γ = 72 mN/m produce solvation free energies within 1 RT of the global minimum root-mean-squared deviation from experimental data over the expanded set. Our results demonstrate that experimental values can be used for geometric flow solvent model parameters, thus eliminating the need for additional parameterization. We also examine the correlations between optimal values of p and γ which are strongly anti-correlated. Geometric analysis of the small molecule test set shows that these results are inter-connected with an approximately linear relationship between area and volume in the range of molecular sizes spanned by the data set. In spite of this considerable degeneracy between the surface tension and pressure terms in the model, both terms are important for the broader applicability of the model.

  17. A calculation of internal kinetic energy and polarizability of compressed argon from the statistical atom model

    NARCIS (Netherlands)

    Seldam, C.A. ten; Groot, S.R. de

    1952-01-01

    From Jensen's and Gombás' modification of the statistical Thomas-Fermi atom model, a theory for compressed atoms is developed by changing the boundary conditions. Internal kinetic energy and polarizability of argon are calculated as functions of pressure. At 1000 atm. an internal kinetic energy of

  18. Multi-directional energy harvesting by piezoelectric cantilever-pendulum with internal resonance

    Energy Technology Data Exchange (ETDEWEB)

    Xu, J.; Tang, J., E-mail: jtang@engr.uconn.edu [Department of Mechanical Engineering, The University of Connecticut, Storrs, Connecticut 06269 (United States)

    2015-11-23

    This letter reports a piezoelectric cantilever-pendulum design for multi-directional energy harvesting. A pendulum is attached to the tip of a piezoelectric cantilever-type energy harvester. This design aims at taking advantage of the nonlinear coupling between the pendulum motion in 3-dimensional space and the beam bending vibration at resonances. Experimental studies indicate that, under properly chosen parameters, 1:2 internal resonance can be induced, which enables the multi-directional energy harvesting with a single cantilever. The advantages of the design with respect to traditional piezoelectric cantilever are examined.

  19. Multi-directional energy harvesting by piezoelectric cantilever-pendulum with internal resonance

    International Nuclear Information System (INIS)

    Xu, J.; Tang, J.

    2015-01-01

    This letter reports a piezoelectric cantilever-pendulum design for multi-directional energy harvesting. A pendulum is attached to the tip of a piezoelectric cantilever-type energy harvester. This design aims at taking advantage of the nonlinear coupling between the pendulum motion in 3-dimensional space and the beam bending vibration at resonances. Experimental studies indicate that, under properly chosen parameters, 1:2 internal resonance can be induced, which enables the multi-directional energy harvesting with a single cantilever. The advantages of the design with respect to traditional piezoelectric cantilever are examined

  20. International comparisons of energy and environmental efficiency in the road transport sector

    International Nuclear Information System (INIS)

    Ben Abdallah, Khaled; Belloumi, Mounir; De Wolf, Daniel

    2015-01-01

    The present work provides an international comparison of the energy intensity and the carbon dioxide intensity in road transport for a group of 90 countries over the period 1980–2012. This paper attempts to perform a comparative analysis to find the most appropriate mapping of the energy performance in road transport taking into account the three dimensions of sustainable energy development, namely road transport-related energy consumption, economic growth and carbon dioxide emissions. An important result of the study is the inverse relationship between energy efficiency and environmental efficiency. Through the calculated Theil coefficient, our empirical findings highlight the existence of spatial and temporal disparities between countries. In 2012, Tunisia occupies the 48th and the 38th rank respectively in terms of energy and environmental efficiency. Based on a general index of energy performance in the road transport sector, it is deemed to have a medium–high energy performance by occupying the 34th rank. The study shows the importance of enhancing a number of policies for the road transport system through the joint improvement of the fuel price policy, of the road infrastructure policy and of the fuel-efficient road vehicles policy, in order to maintain sustainable energy road transport. - Highlights: • The paper presents an international comparative analysis of the energy performance. • The road transport is analyzed for a group of 90 countries over the period 1980–2012. • There is no convergence between energy and environmental efficiencies. • Tunisia has a medium-high energy performance by occupying the 34th rank in 2012. • The findings show the importance of enhancing some policies for the road transport.

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

    Science.gov (United States)

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

    2015-10-26

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

  2. A role for NGOs in international renewable energy project development

    Energy Technology Data Exchange (ETDEWEB)

    Bartholf, T.R.

    1997-12-01

    An NGO is an international term for non-government organizations, often it is used in connection with non-profit, community-based and/or voluntary business activities. To be successful in supporting energy projects, these organizations generally exhibit certain characteristics: they are familiar with the end-use requirements; they are typically neutral to the technology; they emphasize training; they do not carry a large bureacratic structure, at home or in the field; they typically can adapt to do numerous functions; they can often attract other support. The author discusses several examples of such organizations who have been highly successful. The author sees a continuing role for such groups in developing renewable energy sources in the rural setting to include: continued development of new activity in rural areas; development of institutional framework for future market activity; an increased role in managing international development activities; more direct involvement with for-profit technical and financial organizations.

  3. Theoretical study of the building principal of internal and external energy balances structures in diesel engine

    OpenAIRE

    Djallel ZEBBAR; Salaheddine ZEBBAR; Sidali HORR

    2016-01-01

    Distribution knowledge of the energy introduced into the combustion chamber is of great importance in the theory of internal combustion engines. This work aims to highlight the very complex relationship, often indistinguishable between internal and external energy balances components. The scrutiny of internal balance components has permitted to trace back up to the external balance. This can be easily established on a test bench equipped for the occasion. It will assess the perfection of ener...

  4. OECD-Nuclear Energy Agency. 25 years of international cooperation within the framework of the NEA

    Energy Technology Data Exchange (ETDEWEB)

    Stadie, Klaus B. [OECD, Paris (France). Safety and Regulation

    2015-11-15

    The nuclear atomic association NEA of the OECD, to which 23 western industrial countries belong to, was established 25 years ago (1959) as ''Nuclear Energy Agency'', almost simultaneously with other large international nuclear energy organisations. The NEA undertook special tasks during the international cooperation, which have shifted over time. A special feature today is the cooperation by means of international committees, which are supported by a small own staff of the organisation. The focus points lie within the area of safety and regimentation and on chosen scientific and technical studies.

  5. The Analysis of the Chosen Internal Condition and Prospects of Romania’s Energy Security

    Directory of Open Access Journals (Sweden)

    Rutka Michał

    2017-03-01

    Full Text Available In the age of high pace of technological, economic and social development, stable and uninterrupted energy supply is one of the key components determining the economic sovereignty of the state, its position in international relations, and the quality of human life. Every economy around the world is heavily dependent on its energy sector. Consequently, ensuring energy security is currently one of the most important determinant of every country’s national security and the purpose of its security policy. In this article we focus on Romania’s energy security internal condition and prospects. Our main goal is to present actual state and prospects of Romanian energy sector. In order to achieve that goal, we decided to use various methods, such as descriptive analysis, document analysis and comparative analysis. The article has two parts. The first part consists of a description of energy sources and infrastructure used by Romanian economy. The second part is an analysis of possible chances and threats for both energy sector and energy security level.

  6. International energy R and D spillovers and the economics of greenhouse gas atmospheric stabilization

    International Nuclear Information System (INIS)

    Bosetti, Valentina; Carraro, Carlo; Massetti, Emanuele; Tavoni, Massimo

    2008-01-01

    It is now widely recognized that technological change will play a substantial role in reducing GHG emissions without compromising economic growth; hence, any better understanding of the process of technological innovation is likely to increase our knowledge of mitigation possibilities and costs. This paper explores how international knowledge flows affect the dynamics of the domestic R and D sector and the main economic and environmental variables. The analysis is performed using WITCH, a dynamic regional model of the world economy, in which energy-related technological change is endogenous. The focus is on disembodied energy R and D international spillovers. The knowledge pool from which regions draw foreign ideas differs between High Income and Low Income countries. Absorption capacity is also endogenous in the model. The basic questions are as follows. Do knowledge spillovers enhance energy-related technological innovation in different regions of the world? Does the speed of innovation increase? Or do free-riding incentives prevail and international spillovers crowd out domestic R and D efforts? What is the role of domestic absorption capacity and of policies designed to enhance it? Do greenhouse gas stabilization costs drop in the presence of international technological spillovers? The new specification of the WITCH model presented in this paper enables us to answer these questions. Our analysis shows that international knowledge spillovers tend to increase free-riding incentives and decrease the investments in energy R and D. The strongest cuts in energy R and D investments are recorded among High Income countries, where international knowledge flows crowd out domestic R and D efforts. The overall domestic pool of knowledge, and thus total net GHG stabilization costs, remain largely unaffected. International spillovers, however, are also an important policy channel. We therefore analyze the implication of a policy-mix in which climate policy is combined with a

  7. Editorial - International Journal of Sustainable Energy Planning and Management Vol 11

    Directory of Open Access Journals (Sweden)

    Poul Alberg Østergaard

    2016-12-01

    Full Text Available This editorial introduces the 11th volume of the International Journal of Sustainable Energy Planning and Management. The volume addresses smart energy systems and the optimal ways of integrating renewable energy into these. Two of the contributions are from the perspective of energy storage with one arguing that other storage options are preferable to designated electricity storage. This includes thermal storages for house heating and gas and liquid fuel storage for e.g. the transportation sector. Secondly, a paper investigates more narrowly communal vs individual electricity storage in residential PV systems with a view to lowering grid dependency. Lastly, an analysis investigates the role of flexible electricity demand as a means to integrate fluctuating renewable energy sources such as wind and PV.

  8. Molecular mechanics calculations of proteins. Comparison of different energy minimization strategies

    DEFF Research Database (Denmark)

    Christensen, I T; Jørgensen, Flemming Steen

    1997-01-01

    A general strategy for performing energy minimization of proteins using the SYBYL molecular modelling program has been developed. The influence of several variables including energy minimization procedure, solvation, dielectric function and dielectric constant have been investigated in order...... to develop a general method, which is capable of producing high quality protein structures. Avian pancreatic polypeptide (APP) and bovine pancreatic phospholipase A2 (BP PLA2) were selected for the calculations, because high quality X-ray structures exist and because all classes of secondary structure...... for this protein. Energy minimized structures of the trimeric PLA2 from Indian cobra (N.n.n. PLA2) were used for assessing the impact of protein-protein interactions. Based on the above mentioned criteria, it could be concluded that using the following conditions: Dielectric constant epsilon = 4 or 20; a distance...

  9. Prediction of molecular crystal structures

    International Nuclear Information System (INIS)

    Beyer, Theresa

    2001-01-01

    The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol -1 of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy

  10. Prediction of molecular crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Beyer, Theresa

    2001-07-01

    The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol{sup -1} of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy

  11. Strategies for International Cooperation in Support of Energy Development in Pacific Island Nations

    Energy Technology Data Exchange (ETDEWEB)

    Miller, M.; Voss, P.; Warren, A.; Baring-Gould, I.; Conrad, M.

    2012-05-01

    The U.S. Department of Energy's National Renewable Energy Laboratory (NREL) has been partnering with island communities around the world to address the technical, policy, social, and economic hurdles to deploying energy efficiency and renewable energy technologies (RETs) on small, islanded systems. The lessons learned from these partnerships are briefly summarized in this document with the goal of supporting the International Renewable Energy Agency (IRENA) in the development of specific near-term and longer-term strategies for island RET deployment.

  12. Quantum molecular dynamics study on energy transfer to the secondary electron in surface collision process of an ion

    International Nuclear Information System (INIS)

    Shibahara, M; Satake, S; Taniguchi, J

    2008-01-01

    In the present study the quantum molecular dynamics method was applied to an energy transfer problem to an electron during ionic surface collision process in order to elucidate how energy of ionic collision transfers to the emitted electrons. Effects of various physical parameters, such as the collision velocity and interaction strength between the observed electron and the classical particles on the energy transfer to the electron were investigated by the quantum molecular dynamics method when the potassium ion was collided with the surface so as to elucidate the energy path to the electron and the predominant factor of energy transfer to the electron. Effects of potential energy between the ion and the electron and that between the surface molecule and the electron on the electronic energy transfer were shown in the present paper. The energy transfer to the observed secondary electron through the potential energy term between the ion and the electron was much dependent on the ion collision energy although the energy increase to the observed secondary electron was not monotonous through the potential energy between the ion and surface molecules with the change of the ion collision energy

  13. International Conference Nuclear Energy in Central Europe 99, V. 1. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Gortnar, O; Stritar, A [Nuclear Society of Slovenia (Slovenia)

    1999-07-01

    International Conference Nuclear Energy in Central Europe is an annual meeting of the Nuclear Society of Slovenia. The proceedings contain 101 articles from Slovenia, surrounding countries and countries of the Central and Eastern European Region. Topics are: Reactor Physics, Research Reactors, Thermal Hydraulics, Structural Analysis, Probabilistic Safety Assessment, Severe Accidents, NPP Operation, Nuclear Energy and Public, Radioactive Waste, Radiological Protection and Environmental Issues, Nuclear Methods and Monte Carlo and Deterministic Transport Calculations.

  14. International Conference Nuclear Energy in Central Europe 99, V. 1. Proceedings

    International Nuclear Information System (INIS)

    Gortnar, O.; Stritar, A.

    1999-01-01

    International Conference Nuclear Energy in Central Europe is an annual meeting of the Nuclear Society of Slovenia. The proceedings contain 101 articles from Slovenia, surrounding countries and countries of the Central and Eastern European Region. Topics are: Reactor Physics, Research Reactors, Thermal Hydraulics, Structural Analysis, Probabilistic Safety Assessment, Severe Accidents, NPP Operation, Nuclear Energy and Public, Radioactive Waste, Radiological Protection and Environmental Issues, Nuclear Methods and Monte Carlo and Deterministic Transport Calculations

  15. A Study on intensifying efficiency for international collaborative development of Advanced Nuclear Energy Technology

    Energy Technology Data Exchange (ETDEWEB)

    Hahn, Dohee; Park, Seongwon; Chang, Moonhee

    2013-08-15

    All the countries of the world are promoting the use of atomic energy to provide against high oil prices, climatic changes, and energy security initiative. A domestic and foreign environment for nuclear energy is changing rapidly and 13 leading countries including Korea are trying to develop advanced technologies on Gen IV nuclear energy system through Gen IV International Forum (GIF). To enhance the effectiveness of the future nuclear energy system development plan, a strategic approach is necessary for GIF program and the connection process with the 4th Nuclear Energy Promotion Program and Nuclear Energy R and D Medium and Long Term 5 year Plan for 2012 ∼ 2016 needs to be prepared. This study was to analyze the global nuclear trends of 2012 and the status of GIF program which is international cooperation activities. Also we examined the domestic R and D status of future nuclear energy systems for developing core technology and commercialization of Gen-IV nuclear energy system. A successful performance of this project enables the effective national cooperation with GIF and promotes the public acceptance by suggesting the technical alternatives for the nuclear safety and the spent fuel management.

  16. Discovering Unique, Low-Energy Transition States Using Evolutionary Molecular Memetic Computing

    DEFF Research Database (Denmark)

    Ellabaan, Mostafa M Hashim; Ong, Y.S.; Handoko, S.D.

    2013-01-01

    In the last few decades, identification of transition states has experienced significant growth in research interests from various scientific communities. As per the transition states theory, reaction paths and landscape analysis as well as many thermodynamic properties of biochemical systems can...... be accurately identified through the transition states. Transition states describe the paths of molecular systems in transiting across stable states. In this article, we present the discovery of unique, low-energy transition states and showcase the efficacy of their identification using the memetic computing...... paradigm under a Molecular Memetic Computing (MMC) framework. In essence, the MMC is equipped with the tree-based representation of non-cyclic molecules and the covalent-bond-driven evolutionary operators, in addition to the typical backbone of memetic algorithms. Herein, we employ genetic algorithm...

  17. International energy technology collaboration and climate change mitigation. Case study 1. Concentrating Solar Power Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Philibert, C. [Energy and Environment Division, International Energy Agency IEA, Paris (France)

    2004-07-01

    Mitigating climate change and achieving stabilisation of greenhouse gas atmospheric concentrations will require deep reductions in global emissions of energy-related carbon dioxide emissions. Developing and disseminating new, low-carbon energy technology will thus be needed. Two previous AIXG papers have focused on possible drivers for such a profound technological change: Technology Innovation, Development and Diffusion, released in June 2003, and International Energy Technology Collaboration and Climate Change Mitigation, released in June 2004. The first of these papers assesses a broad range of technical options for reducing energy-related CO2 emissions. It examines how technologies evolve and the role of research and development efforts, alternative policies, and short-term investment decisions in making long-term options available. It considers various policy tools that may induce technological change, some very specific, and others with broader expected effects. Its overall conclusion is that policies specifically designed to promote technical change, or 'technology push', could play a critical role in making available and affordable new energy technologies. However, such policies would not be sufficient to achieve the Convention's objective in the absence of broader policies. First, because there is a large potential for cuts that could be achieved in the short run with existing technologies; and second, the development of new technologies requires a market pull as much as a technology push. The second paper considers the potential advantages and disadvantages of international energy technology collaboration and transfer for promoting technological change. Advantages of collaboration may consist of lowering R and D costs and stimulating other countries to invest in R and D; disadvantage may include free-riding and the inefficiency of reaching agreement between many actors. This paper sets the context for further discussion on the role of

  18. Predictions of Quantum Molecular Dynamical Model between incident energy 50 and 1000 MeV/Nucleon

    Directory of Open Access Journals (Sweden)

    Kumar Sanjeev

    2015-01-01

    Full Text Available In the present work, the Quantum Molecular Dynamical (QMD model is summarized as a useful tool for the incident energy range of 50 to 1000 MeV/nucleon in heavy-ion collisions. The model has reproduced the experimental results of various collaborations such as ALADIN, INDRA, PLASTIC BALL and FOPI upto a high level of accuracy for the phenomena like multifragmentation, collective flow as well as elliptical flow in the above prescribed energy range. The efforts are further in the direction to predict the symmetry energy in the wide incident energy range.

  19. International cooperation and security in the field of nuclear energy in Armenia

    International Nuclear Information System (INIS)

    Khachatryan, D.A.; Avagyan, A.A.; Stepanyan, V.E.

    2010-01-01

    In the report presented/discussed are the ecological-humanitarian disasters and the related policy of the international organizations, especially IAEA, NATO and others on ensuring security of vital activity of people in the sphere of energy and particularly nuclear energy. Possessing the only nuclear power station in Trans Caucasus and the store of toxic wastes of reactive fuel the Government of Armenia and the Ministry of Emergency Situations of the Republic of Armenia always take into consideration the many-sided aspects of prevention, warning about accident in energy buildings including nuclear accidents and modern response in case of occurring the latter ensuring security for ANPP personnel and the inhabitants of the settlements of the possible contingency zone. In their daily activity the workers of the Emergency Situations of the Republic of Armenia, especially those of the Armenian Rescue Service base on the experience and logistic support of international community some aspects of which are presented below

  20. Tax and Fiscal Policies for Promotion of Industrial EnergyEfficiency: A Survey of International Experience

    Energy Technology Data Exchange (ETDEWEB)

    Price, Lynn; Galitsky, Christina; Sinton, Jonathan; Worrell,Ernst; Graus, Wina

    2005-09-15

    The Energy Foundation's China Sustainable Energy Program (CSEP) has undertaken a major project investigating fiscal and tax policy options for stimulating energy efficiency and renewable energy development in China. This report, which is part of the sectoral sub-project studies on energy efficiency in industry, surveys international experience with tax and fiscal policies directed toward increasing investments in energy efficiency in the industrial sector. The report begins with an overview of tax and fiscal policies, including descriptions and evaluations of programs that use energy or energy-related carbon dioxide (CO2) taxes, pollution levies, public benefit charges, grants or subsidies, subsidized audits, loans, tax relief for specific technologies, and tax relief as part of an energy or greenhouse gas (GHG) emission tax or agreement scheme. Following the discussion of these individual policies, the report reviews experience with integrated programs found in two countries as well as with GHG emissions trading programs. The report concludes with a discussion of the best practices related to international experience with tax and fiscal policies to encourage investment in energy efficiency in industry.

  1. Energy transfer rates in inhomogeneous van der Waals clusters

    International Nuclear Information System (INIS)

    Desfrancois, C.; Schermann, J.P.

    1991-01-01

    The internal energy exchange inside an inhomogeneous van der Waals cluster are investigated by means of molecular dynamic calculations. The very long time scales for relaxation of the high frequency degrees of freedom are examined within the framework of Nekhoroshev's theorem. (orig.)

  2. Proceedings of the International Conference on Wind Energy in Remote Regions; Actes du Colloque International sur Energie Eolienne et Site Eloignes

    Energy Technology Data Exchange (ETDEWEB)

    Gipe, P.; Brudny, J.F.; Ilinca, A.; Bouchard, Y.; Proulx, P.; Chaumel, J.L.; Brunelle, M.T.; Henin, S.; Beaudoin, P.; Poirier, N.; Belanger, M. [Quebec Univ., Rimouski, PQ (Canada). WERR Organizational Committee

    2005-07-01

    This international conference focused on the growth opportunities for the wind power industry in Canada, with particular focus on Quebec and eastern Canada. The conference presented formal paper sessions dealing with the largest wind turbine technology to the smallest machines. It also included tutorials, site visits, case studies and commercial exhibits aimed at wind power developers, utility managers, manufacturers, sub-contractors, theoreticians and practitioners. Participants discussed the best and innovative solutions for the efficient regional development of wind power with particular focus on remote, off-grid applications such as isolated northern communities and islands. The presentations emphasized how wind energy can allow isolated communities to reduce their dependence on costly imported diesel fuel by combining modern electronics with wind turbines and diesel power systems. Environmental impacts and future innovations in wind technology were also discussed along with practical solutions for combining wind energy with other sources of energy. The conference featured 30 presentations, of which 18 have been catalogued separately for inclusion in this database. refs., tabs., figs.

  3. The International Atomic Energy Agency: activities and relationship with Mexico

    International Nuclear Information System (INIS)

    Abud Osuna, Javier.

    1987-01-01

    Legal and political studies on the activities of the IAEA infer that the pacific uses of nuclear energy become more significant every day in the ambit of international relationships. The studies analyze as a whole relationships among member states. The first part is divided into four chapters, starting with the background and creation of the agency, its structure, statutes, amendments and the performance of its main organisms. It continues to describe mechanisms and programmes carried out, including cooperation agreements between the IAEA and other specialized organizations in the United Nations. It ends up with the IAEA performance resulting from different treaties. The second part examines Mexican norms on nuclear matter as well as relationships between Mexico and the IAEA. It demonstrates that achievements in the Agency have been possible because of the establishment of an international cooperation basis, which avoids duplicity of actions. The conclusions recommend joint efforts from both the developed and the developing countries in the following: a) to imbue public opinion with the goodness of nuclear energy; b) to discourage the construction and operation of nuclear installations; c) to unify national standards on nuclear safety and control; d) to decrease export restrictions, based on safeguards; e) to promote internal nuclear research in Mexico or throught regional integration agreements, with technical assistance and support from the IAEA. (author)

  4. International Atomic Energy Agency Publications. Catalogue 1986-1999

    International Nuclear Information System (INIS)

    2000-07-01

    This catalogue lists all sales publications of the International Atomic Energy Agency issued from 1986 up to the end of 1999 and still available. Some earlier titles which form part of an established series or are still considered of importance have been included. Most Agency publications are issued in English, though some are also available in Chinese, French, Russian or Spanish. This is noted as C for Chinese, E for English, F for French, R for Russian and S for Spanish by the relevant ISBN number

  5. Starpower: the US and the international quest for fusion energy

    International Nuclear Information System (INIS)

    1987-10-01

    This report, requested by the House Committee on Science, Space, and Technology and endorsed by the Senate Committee on Energy and Natural Resources, reviews the status of magnetic-confinement fusion research and compares its progress with the requirements for development of a useful energy technology. The report does not analyze inertial-confinement fusion research, which is overseen by the House and Senate Armed Services Committees. Contents include: Executive Summary; Introduction and overview; History of fusion research; Fusion science and technology; Fusion as an energy program; Fusion as a research program; Fusion as an international program; Future paths for the magnetic-fusion program; Appendixes--(Non-electric applications for fusion, Other approaches to fusion, Data for figures, List of acronyms and glossary)

  6. TELESCON 2000 - The 3. international telecommunications energy special conference. Proceedings

    Energy Technology Data Exchange (ETDEWEB)

    Claus, J. (comp.) [Deutsche Telekom AG, Bonn (Germany)

    2000-07-01

    Dresden has been chosen, because all discussions with present experts on the Berlin and Budapest conferences have shown that this beautiful town can be an international meeting point for all people from east and west to come together to discuss important topics such as the future of power supply and energy conservation within the field of telecommunications. The plenary session includes well known names from Europe, North America, Japan and the Central European region. The programme is an excellent blend of presentation, application and discussions on energy technologies that will offer new insights into powering today's rapidly changing communications and data networks. The exhibition will be an excellent meeting place for suppliers and customers of energy systems. (orig.)

  7. Economics of international energy security policy

    International Nuclear Information System (INIS)

    Paik, I.K.

    1992-01-01

    Because there is no inexpensive substitute for crude oil and petroleum products at the present time, an oil supply disruption inevitably leads to higher oil prices and economic losses. Wealth transfer to oil producing nations, reduced output increased unemployment and inflation. For these reasons, major oil-consuming countries currently have in place various oil emergency response measures to protect themselves from adverse economic consequences of oil supply disruptions: stockpiling emergency oil reserves to augment supplies, if necessary, in an emergency; and lowering oil demand through non-price mechanisms. The main purpose of this paper is to show that while, supply enhancement and demand reduction could have the same effect on oil prices in the event of an oil supply shortfall, they may have significantly different effects on the economies. Section I discusses the principal oil emergency response measures of the members of the International Energy Agency (IEA) -- emergency oil stockpiles and demand restraint -- and their policies for implementing the measures. Section II describes the analytical method used to perform comparative economic analysis of releasing emergency stocks and restraining demand in an oil emergency. Section III presents quantitative results of the analysis, and Section IV, conclusions of the analytical results and their energy security policy implications

  8. Principal component analysis acceleration of rovibrational coarse-grain models for internal energy excitation and dissociation

    Science.gov (United States)

    Bellemans, Aurélie; Parente, Alessandro; Magin, Thierry

    2018-04-01

    The present work introduces a novel approach for obtaining reduced chemistry representations of large kinetic mechanisms in strong non-equilibrium conditions. The need for accurate reduced-order models arises from compression of large ab initio quantum chemistry databases for their use in fluid codes. The method presented in this paper builds on existing physics-based strategies and proposes a new approach based on the combination of a simple coarse grain model with Principal Component Analysis (PCA). The internal energy levels of the chemical species are regrouped in distinct energy groups with a uniform lumping technique. Following the philosophy of machine learning, PCA is applied on the training data provided by the coarse grain model to find an optimally reduced representation of the full kinetic mechanism. Compared to recently published complex lumping strategies, no expert judgment is required before the application of PCA. In this work, we will demonstrate the benefits of the combined approach, stressing its simplicity, reliability, and accuracy. The technique is demonstrated by reducing the complex quantum N2(g+1Σ) -N(S4u ) database for studying molecular dissociation and excitation in strong non-equilibrium. Starting from detailed kinetics, an accurate reduced model is developed and used to study non-equilibrium properties of the N2(g+1Σ) -N(S4u ) system in shock relaxation simulations.

  9. Dissociation of polycyclic aromatic hydrocarbons: molecular dynamics studies

    Science.gov (United States)

    Simon, A.; Rapacioli, M.; Rouaut, G.; Trinquier, G.; Gadéa, F. X.

    2017-03-01

    We present dynamical studies of the dissociation of polycyclic aromatic hydrocarbon (PAH) radical cations in their ground electronic states with significant internal energy. Molecular dynamics simulations are performed, the electronic structure being described on-the-fly at the self-consistent-charge density functional-based tight binding (SCC-DFTB) level of theory. The SCC-DFTB approach is first benchmarked against DFT results. Extensive simulations are achieved for naphthalene , pyrene and coronene at several energies. Such studies enable one to derive significant trends on branching ratios, kinetics, structures and hints on the formation mechanism of the ejected neutral fragments. In particular, dependence of branching ratios on PAH size and energy were retrieved. The losses of H and C2H2 (recognized as the ethyne molecule) were identified as major dissociation channels. The H/C2H2 ratio was found to increase with PAH size and to decrease with energy. For , which is the most interesting PAH from the astrophysical point of view, the loss of H was found as the quasi-only channel for an internal energy of 30 eV. Overall, in line with experimental trends, decreasing the internal energy or increasing the PAH size will favour the hydrogen loss channels with respect to carbonaceous fragments. This article is part of the themed issue 'Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces'.

  10. Earth sciences. 1990-2001. International Atomic Energy Agency publications

    International Nuclear Information System (INIS)

    2001-05-01

    This catalogue lists all sales publications of the International Atomic Energy Agency dealing with Earth Sciences and issued during the period 1 January 1990 - 31 May 2001. Most publications are issued in English, though some are also available in other languages. This is noted as A for Arabic, C for Chinese, E for English, F for French, R for Russian and S for Spanish before the relevant ISBN number

  11. Recent Advances in Cardiac Computed Tomography: Dual Energy, Spectral and Molecular CT Imaging

    Science.gov (United States)

    Danad, Ibrahim; Fayad, Zahi A.; Willemink, Martin J.; Min, James K.

    2015-01-01

    Computed tomography (CT) evolved into a powerful diagnostic tool and it is impossible to imagine current clinical practice without CT imaging. Due to its widespread availability, ease of clinical application, superb sensitivity for detection of CAD, and non-invasive nature, CT has become a valuable tool within the armamentarium of the cardiologist. In the last few years, numerous technological advances in CT have occurred—including dual energy CT (DECT), spectral CT and CT-based molecular imaging. By harnessing the advances in technology, cardiac CT has advanced beyond the mere evaluation of coronary stenosis to an imaging modality tool that permits accurate plaque characterization, assessment of myocardial perfusion and even probing of molecular processes that are involved in coronary atherosclerosis. Novel innovations in CT contrast agents and pre-clinical spectral CT devices have paved the way for CT-based molecular imaging. PMID:26068288

  12. Calculating Free Energies Using Scaled-Force Molecular Dynamics Algorithm

    Science.gov (United States)

    Darve, Eric; Wilson, Micahel A.; Pohorille, Andrew

    2000-01-01

    One common objective of molecular simulations in chemistry and biology is to calculate the free energy difference between different states of the system of interest. Examples of problems that have such an objective are calculations of receptor-ligand or protein-drug interactions, associations of molecules in response to hydrophobic, and electrostatic interactions or partition of molecules between immiscible liquids. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), 'native' state. Perhaps the best example of such a problem is folding of proteins or short RNA molecules. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to 'quasi non-ergodicity', whereby a part of phase space is inaccessible on timescales of the simulation. A host of strategies has been developed to improve efficiency of sampling the phase space. For example, some Monte Carlo techniques involve large steps which move the system between low-energy regions in phase space without the need for sampling the configurations corresponding to energy barriers (J-walking). Most strategies, however, rely on modifying probabilities of sampling low and high-energy regions in phase space such that transitions between states of interest are encouraged. Perhaps the simplest implementation of this strategy is to increase the temperature of the system. This approach was successfully used to identify denaturation pathways in several proteins, but it is clearly not applicable to protein folding. It is also not a successful method for determining free energy differences. Finally, the approach is likely to fail for systems with co-existing phases, such as water-membrane systems, because it may lead to spontaneous

  13. Validity of displacement energy evaluation using molecular statics simulation in Li2O

    International Nuclear Information System (INIS)

    Oda, Takuji; Tanaka, Satoru

    2007-01-01

    Understanding on radiation damage processes in Li-containing oxides has been regarded as an important subject in fusion blanket engineering, because radiation defects significantly affect the tritium behavior and the material property. The displacement energy is a key parameter that determines the number of defects created by radiation, and thus should be evaluated. However, its determination by experiments has not been done, probably due to difficulties arising from insulating property and complicated crystalline structures of Li-containing oxides. Molecular simulation is an alternative method to evaluate the displacement energy. Two techniques have been used; one is molecular dynamics simulation (MD) and the other is molecular statics simulation (MS) with the sudden approximation. MD can provide atomic-scale views of radiation events in the dynamics and has been more widely applied. MS seems to provide less reliable results than MD for lack of the dynamics. Nevertheless, its low computational cost could be attractive for application to ternary Li-containing oxides of complicated structures. In the present work, therefore, we aimed to verify how reliable values MS can provide in comparison with MD. Li2O was chosen to be a test material, because Li2O has the simplest structure among Li-containing oxides, which facilitates verification of MS results. We evaluated threshold displacement energies by MS for a few tens of different irradiation direction, and compared with previous MD results. DL-POLY code was used for MD, while GULP code for MS. In MD, lower threshold energies have been observed for Li than O (20 eV for Li and 50 eV for O on average). This tendency was also realized in MS (15 eV for Li and 40 eV for O), although values were often underestimated by a few tens %. As for dependence of displacement energy on irradiation direction, MS basically gave results different from MD, not only in quantity but also in quality. It was considered that MS is useful to

  14. Reducing energy consumption and CO2 emissions by energy efficiency measures and international trading: A bottom-up modeling for the U.S. iron and steel sector

    International Nuclear Information System (INIS)

    Karali, Nihan; Xu, Tengfang; Sathaye, Jayant

    2014-01-01

    Highlights: • Use ISEEM to evaluate energy and emission reduction in U.S. Iron and Steel sector. • ISEEM is a new bottom-up optimization model for industry sector energy planning. • Energy and emission reduction includes efficiency measure and international trading. • International trading includes commodity and carbon among U.S., China and India. • Project annual energy use, CO 2 emissions, production, and costs from 2010 to 2050. - Abstract: Using the ISEEM modeling framework, we analyzed the roles of energy efficiency measures, steel commodity and international carbon trading in achieving specific CO 2 emission reduction targets in the U.S iron and steel sector from 2010 to 2050. We modeled how steel demand is balanced under three alternative emission reduction scenarios designed to include national energy efficiency measures, commodity trading, and international carbon trading as key instruments to meet a particular emission restriction target in the U.S. iron and steel sector; and how production, process structure, energy supply, and system costs change with those scenarios. The results advance our understanding of long-term impacts of different energy policy options designed to reduce energy consumption and CO 2 emissions for U.S. iron and steel sector, and generate insight of policy implications for the sector’s environmentally and economically sustainable development. The alternative scenarios associated with 20% emission-reduction target are projected to result in approximately 11–19% annual energy reduction in the medium term (i.e., 2030) and 9–20% annual energy reduction in the long term (i.e., 2050) compared to the Base scenario

  15. International ETG Congress 2013. Energy supply en route to 2050. Proceedings

    International Nuclear Information System (INIS)

    2013-01-01

    The present publication documents the contributions to the 2013 International Congress of the Energy Technology Society within the VDE from 5 to 6 November 2013 in Berlin. The congress was organised in six symposia dedicated respectively to ''Security in Critical Infrastructures Today'', ''System Design of Transmission Grids and Distribution Grids in the Context of the Energy Transition'', ''Power Electronics in Power Supply Systems'', ''New Applications and Development Trends in Contactless Energy Transmission'' and ''Research and Development for Electromobility'', all with a focus on the period up to the year 2050 and a programme taking due account of interactions between electricity supply systems and other energy infrastructures.

  16. 5th International Congress on Energy Fluxes and Radiation Effects 2016

    International Nuclear Information System (INIS)

    2017-01-01

    Special Issue of the Materials of the V International Congress on Energy Fluxes and Radiation Effects (Tomsk, Russia, 2016)Maksim Trigub, Georgiy Osokin, Alexander KonovodNational Research Tomsk Polytechnic University, 30, Lenin Avenue, Tomsk, Russiaemail: geosokin@tpu.ruThe present issue of the journal is based on the materials of the V International Congress on Energy Fluxes and Radiation Effects 2016 (EFRE 2016) that was held on October 2 to 7, 2016 in Tomsk (Russia). This large scientific forum gathers together scientists, developers and representatives of knowledge-intensive enterprises that have relevance to physics and technology. This year, the Congress was dedicated to the 120 th anniversary of the National Research Tomsk Polytechnic University.The history of the Congress as a joint scientific event dates back to 2000; it traditionally includes three conferences: International Symposium on High-Current Electronics (SHCE), International Conference on Radiation Physics and Chemistry of Condensed Matter (RPC) and International Conference on Modification of Materials with Particle Beams and Plasma Flows (CMM). However, each of these large conferences has its own lasting history.In 2016, the International Symposium on High-Current Electronics was arranged for the 19 th time. The participants have presented the results of fundamental studies and applied outcomes in the fields of high-power pulsed energy engineering and electronics (Pulsed Power), physics and application of high-power electron and ion beams, high- and low-temperature gas discharge plasma, physics of high-energy treatment and extreme states of matter, electric pulsed technologies. Noteworthy, the symposium took place in the year of the 40 th anniversary of USSR scientific discovery of explosive electron emission. This physical phenomenon—being one of the basics of high-current electronics—determines the processes in pulsed vacuum discharge, enables the operation of high-current electron

  17. Range-separated density-functional theory for molecular excitation energies

    International Nuclear Information System (INIS)

    Rebolini, E.

    2014-01-01

    Linear-response time-dependent density-functional theory (TDDFT) is nowadays a method of choice to compute molecular excitation energies. However, within the usual adiabatic semi-local approximations, it is not able to describe properly Rydberg, charge-transfer or multiple excitations. Range separation of the electronic interaction allows one to mix rigorously density-functional methods at short range and wave function or Green's function methods at long range. When applied to the exchange functional, it already corrects most of these deficiencies but multiple excitations remain absent as they need a frequency-dependent kernel. In this thesis, the effects of range separation are first assessed on the excitation energies of a partially-interacting system in an analytic and numerical study in order to provide guidelines for future developments of range-separated methods for excitation energy calculations. It is then applied on the exchange and correlation TDDFT kernels in a single-determinant approximation in which the long-range part of the correlation kernel vanishes. A long-range frequency-dependent second-order correlation kernel is then derived from the Bethe-Salpeter equation and added perturbatively to the range-separated TDDFT kernel in order to take into account the effects of double excitations. (author)

  18. Comparing internal and external run-time coupling of CFD and building energy simulation software

    NARCIS (Netherlands)

    Djunaedy, E.; Hensen, J.L.M.; Loomans, M.G.L.C.

    2004-01-01

    This paper describes a comparison between internal and external run-time coupling of CFD and building energy simulation software. Internal coupling can be seen as the "traditional" way of developing software, i.e. the capabilities of existing software are expanded by merging codes. With external

  19. Connecting metabolism and reproduction: roles of central energy sensors and key molecular mediators.

    Science.gov (United States)

    Roa, Juan; Tena-Sempere, Manuel

    2014-11-01

    It is well established that pubertal activation of the reproductive axis and maintenance of fertility are critically dependent on the magnitude of body energy reserves and the metabolic state of the organism. Hence, conditions of impaired energy homeostasis often result in deregulation of puberty and reproduction, whereas gonadal dysfunction can be associated with the worsening of the metabolic profile and, eventually, changes in body weight. While much progress has taken place in our knowledge about the neuroendocrine mechanisms linking metabolism and reproduction, our understanding of how such dynamic interplay happens is still incomplete. As paradigmatic example, much has been learned in the last two decades on the reproductive roles of key metabolic hormones (such as leptin, insulin and ghrelin), their brain targets and the major transmitters and neuropeptides involved. Yet, the molecular mechanisms whereby metabolic information is translated and engages into the reproductive circuits remain largely unsolved. In this work, we will summarize recent developments in the characterization of the putative central roles of key cellular energy sensors, such as mTOR, in this phenomenon, and will relate these with other molecular mechanisms likely contributing to the brain coupling of energy balance and fertility. In doing so, we aim to provide an updated view of an area that, despite still underdeveloped, may be critically important to fully understand how reproduction and metabolism are tightly connected in health and disease. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  20. Eleventh CERI [Canadian Energy Research Inst.] international oil and gas markets conference

    International Nuclear Information System (INIS)

    1992-01-01

    At a conference on international oil and gas markets, papers were presented on world oil and gas markets; energy policies; regulatory policies; supply and demand scenarios; environmental issues; the markets and industries in individual countries such as the former Soviet Union, USA, Canada, and the United Kingdom; business strategies; geopolitics of energy; and coalbed methane supplies. Separate abstracts have been prepared for 22 papers from this conference

  1. Conserving Coherence and Storing Energy during Internal Conversion: Photoinduced Dynamics of cis- and trans-Azobenzene Radical Cations

    KAUST Repository

    Munkerup, Kristin; Romanov, Dmitri A.; Bohinski, Timothy; Stephansen, Anne B.; Levis, Robert J.; Sø lling, Theis Ivan

    2017-01-01

    Light harvesting via energy storage in azobenzene has been a key topic for decades, and the process of energy distribution over the molecular degrees of freedom following photoexcitation remains to be understood. Dynamics of a photoexcited system

  2. The influence of molecular rotation on vibration--translation energy transfer

    International Nuclear Information System (INIS)

    McKenzie, R.L.

    1977-01-01

    The role of molecular rotations in the exchange of vibrational and translational energy is investigated for collisions between anharmonic diatomic molecules and structureless atoms. A three-dimensional, semiclassical, impact parameter description is applied with emphasis directed towards the influence of rotational coupling on the net rate of vibrational energy transfer summed over all final rotational states. These results are then related to the predictions of an equivalent collinear collision model, and their comparison allows an evaluation of the collinear approximation. The mechanisms of vibrational energy transfer including rotational transitions are shown to be separable into three classes, with the molecules belonging to each class identified first and foremost by their ratio of fundamental vibrational and rotational frequencies, ω/sub e//B/sub e/, and second by the proximity of their initial state to a near-resonant vibration--rotation transition with a small change in angular momentum. While the dynamics of molecules with ω/sub e//B/sub e/ ratios that are comparable to the range of angular momentum transitions having strong coupling are found to require a complete three-dimensional description, the rates of vibrational energy transfer in molecules with large ω/sub e//B/sub e/ ratios appear to be well approximated by a collinear collision model

  3. Investigation of the molecular conformations of ethanol using electron momentum spectroscopy

    International Nuclear Information System (INIS)

    Ning, C G; Luo, Z H; Huang, Y R; Liu, K; Zhang, S F; Deng, J K; Hajgato, B; Morini, F; Deleuze, M S

    2008-01-01

    The valence electronic structure and momentum-space electron density distributions of ethanol have been investigated with our newly constructed high-resolution electron momentum spectrometer. The measurements are compared to thermally averaged simulations based on Kohn-Sham (B3LYP) orbital densities as well as one-particle Green's function calculations of ionization spectra and Dyson orbital densities, assuming Boltzmann's statistical distribution of the molecular structure over the two energy minima defining the anti and gauche conformers. One-electron ionization energies and momentum distributions in the outer-valence region were found to be highly dependent upon the molecular conformation. Calculated momentum distributions indeed very sensitively reflect the distortions and topological changes that molecular orbitals undergo due to the internal rotation of the hydroxyl group, and thereby exhibit variations which can be traced experimentally. The B3LYP model Kohn-Sham orbital densities are overall in good agreement with the experimental distributions, and closely resemble benchmark ADC(3) Dyson orbital densities. Both approaches fail to quantitatively reproduce the experimental momentum distributions characterizing the highest occupied molecular orbital. Since electron momentum spectroscopy measurements at various electron impact energies indicate that the plane wave impulse approximation is valid, this discrepancy between theory and experiment is tentatively ascribed to thermal disorder, i.e. large-amplitude and thermally induced dynamical distortions of the molecular structure in the gas phase

  4. Molecular docking, spectroscopic studies and quantum calculations on nootropic drug.

    Science.gov (United States)

    Uma Maheswari, J; Muthu, S; Sundius, Tom

    2014-04-05

    A systematic vibrational spectroscopic assignment and analysis of piracetam [(2-oxo-1-pyrrolidineacetamide)] have been carried out using FT-IR and FT-Raman spectral data. The vibrational analysis was aided by an electronic structure calculation based on the hybrid density functional method B3LYP using a 6-311G++(d,p) basis set. Molecular equilibrium geometries, electronic energies, IR and Raman intensities, and harmonic vibrational frequencies have been computed. The assignments are based on the experimental IR and Raman spectra, and a complete assignment of the observed spectra has been proposed. The UV-visible spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies and the maximum absorption wavelengths λmax were determined by the time-dependent DFT (TD-DFT) method. The geometrical parameters, vibrational frequencies and absorption wavelengths were compared with the experimental data. The complete vibrational assignments are performed on the basis of the potential energy distributions (PED) of the vibrational modes in terms of natural internal coordinates. The simulated FT-IR, FT-Raman, and UV spectra of the title compound have been constructed. Molecular docking studies have been carried out in the active site of piracetam by using Argus Lab. In addition, the potential energy surface, HOMO and LUMO energies, first-order hyperpolarizability and the molecular electrostatic potential have been computed. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Diaryl-substituted norbornadienes with red-shifted absorption for molecular solar thermal energy storage.

    Science.gov (United States)

    Gray, Victor; Lennartson, Anders; Ratanalert, Phasin; Börjesson, Karl; Moth-Poulsen, Kasper

    2014-05-25

    Red-shifting the absorption of norbornadienes (NBDs), into the visible region, enables the photo-isomerization of NBDs to quadricyclanes (QCs) to be driven by sunlight. This is necessary in order to utilize the NBD-QC system for molecular solar thermal (MOST) energy storage. Reported here is a study on five diaryl-substituted norbornadienes. The introduced aryl-groups induce a significant red-shift of the UV/vis absorption spectrum of the norbornadienes, and device experiments using a solar-simulator set-up demonstrate the potential use of these compounds for MOST energy storage.

  6. Promoting International Energy Security. Volume 1: Understanding Potential Air Force Roles

    Science.gov (United States)

    2012-01-01

    obtain additional information, contact Distribution Services: Telephone: (310) 451 -7002; Fax: (310) 451 -6915; Email: order@rand.org Library of...raise the temperature of one pound of water one degree Fahrenheit ) DoD Department of Defense EIA U.S. Energy Information Administration IEA International

  7. Use of Nonequilibrium Work Methods to Compute Free Energy Differences Between Molecular Mechanical and Quantum Mechanical Representations of Molecular Systems.

    Science.gov (United States)

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

    2015-12-03

    Carrying out free energy simulations (FES) using quantum mechanical (QM) Hamiltonians remains an attractive, albeit elusive goal. Renewed efforts in this area have focused on using "indirect" thermodynamic cycles to connect "low level" simulation results to "high level" free energies. The main obstacle to computing converged free energy results between molecular mechanical (MM) and QM (ΔA(MM→QM)), as recently demonstrated by us and others, is differences in the so-called "stiff" degrees of freedom (e.g., bond stretching) between the respective energy surfaces. Herein, we demonstrate that this problem can be efficiently circumvented using nonequilibrium work (NEW) techniques, i.e., Jarzynski's and Crooks' equations. Initial applications of computing ΔA(NEW)(MM→QM), for blocked amino acids alanine and serine as well as to generate butane's potentials of mean force via the indirect QM/MM FES method, showed marked improvement over traditional FES approaches.

  8. Low energy Cu clusters slow deposition on a Fe (001) surface investigated by molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shixu [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Gong, Hengfeng [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Division of Nuclear Materials Science and Engineering, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800 (China); Chen, Xuanzhi [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Li, Gongping, E-mail: ligp@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Wang, Zhiguang, E-mail: zhgwang@impcas.ac.cn [Laboratory of Advanced Nuclear Materials, Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2014-09-30

    Highlights: • We study the deposition of low energy Cu clusters on Fe (001) surface by molecular dynamics. • The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. • The phenomenon of contact epitaxy of cluster occurred. • The thermal diffusion of cluster atoms was analyzed. - Abstract: The slow deposition of low energy Cu clusters on a Fe (001) surface was investigated by molecular dynamics simulation. A many-body potential based on Finnis–Sinclair model was used to describe the interactions among atoms. Three clusters comprising of 13, 55 and 147 atoms, respectively, were deposited with incident energies ranging from 0.0 to 1.0 eV/atom at various substrate temperatures (0, 300 and 800 K). The rearrangement and the diffusion of cluster can occur, only when the cluster atoms are activated and obtained enough migration energy. The interaction between low energy cluster and substrate can be divided to the landing and the thermal diffusion phases. In the former, the migration energy originates from the latent heat of binding energy for the soft deposition regime and primarily comes from the incident energy of cluster for the energetic cluster deposition regime. In the latter, the thermal vibration would result in some cluster atoms activated again at medium and high substrate temperatures. Also, the effects of incident energy, cluster size and substrate temperature on the interaction potential energy between cluster and substrate, the final deposition morphology of cluster, the spreading index and the structure parameter of cluster are analyzed.

  9. Solar energy conversion. Chemical aspects

    Energy Technology Data Exchange (ETDEWEB)

    Likhtenshtein, Gertz [Ben-Gurion Univ. of the Negev, Beersheba (Israel). Dept. of Chemistry

    2012-07-01

    Finally filling a gap in the literature for a text that also adopts the chemist's view of this hot topic, Professor Likhtenshtein, an experienced author and internationally renowned scientist, considers different physical and engineering aspects in solar energy conversion. From theory to real-life systems, he shows exactly which chemical reactions take place when converting light energy, providing an overview of the chemical perspective from fundamentals to molecular harvesting systems and solar cells. This essential guide will thus help researchers in academia and industry better understand solar energy conversion, and so ultimately help this promising, multibillion euro/dollar field to expand. (orig.)

  10. Molecular Diagnostics of the Internal Motions of Massive Cores

    Science.gov (United States)

    Pineda, Jorge; Velusamy, T.; Goldsmith, P.; Li, D.; Peng, R.; Langer, W.

    2009-12-01

    We present models of the internal kinematics of massive cores in the Orion molecular cloud. We use a sample of cores studied by Velusamy et al. (2008) that show red, blue, and no asymmetry in their HCO+ line profiles in equal proportion, and which therefore may represent a sample of cores in different kinematic states. We use the radiative transfer code RATRAN (Hogerheijde & van der Tak 2000) to model several transitions of HCO+ and H13CO+ as well as the dust continuum emission, of a spherical model cloud with radial density, temperature, and velocity gradients. We find that an excitation and velocity gradients are prerequisites to reproduce the observed line profiles. We use the dust continuum emission to constrain the density and temperature gradients. This allows us to narrow down the functional forms of the velocity gradient giving us the opportunity to test several theoretical predictions of velocity gradients produced by the effect of magnetic fields (e.g. Tassis et. al. 2007) and turbulence (e.g. Vasquez-Semanedi et al 2007).

  11. Hybrid Correlation Energy (HyCE): An Approach Based on Separate Evaluations of Internal and External Components.

    Science.gov (United States)

    Ivanic, Joseph; Schmidt, Michael W

    2018-06-04

    A novel hybrid correlation energy (HyCE) approach is proposed that determines the total correlation energy via distinct computation of its internal and external components. This approach evolved from two related studies. First, rigorous assessment of the accuracies and size extensivities of a number of electron correlation methods, that include perturbation theory (PT2), coupled-cluster (CC), configuration interaction (CI), and coupled electron pair approximation (CEPA), shows that the CEPA(0) variant of the latter and triples-corrected CC methods consistently perform very similarly. These findings were obtained by comparison to near full CI results for four small molecules and by charting recovered correlation energies for six steadily growing chain systems. Second, by generating valence virtual orbitals (VVOs) and utilizing the CEPA(0) method, we were able to partition total correlation energies into internal (or nondynamic) and external (or dynamic) parts for the aforementioned six chain systems and a benchmark test bed of 36 molecules. When using triple-ζ basis sets it was found that per orbital internal correlation energies were appreciably larger than per orbital external energies and that the former showed far more chemical variation than the latter. Additionally, accumulations of external correlation energies were seen to proceed smoothly, and somewhat linearly, as the virtual space is gradually increased. Combination of these two studies led to development of the HyCE approach, whereby the internal and external correlation energies are determined separately by CEPA(0)/VVO and PT2/external calculations, respectively. When applied to the six chain systems and the 36-molecule benchmark test set it was found that HyCE energies followed closely those of triples-corrected CC and CEPA(0) while easily outperforming MP2 and CCSD. The success of the HyCE approach is more notable when considering that its cost is only slightly more than MP2 and significantly cheaper

  12. Analysis of the market for bio energy - locally and internationally. Final report

    Energy Technology Data Exchange (ETDEWEB)

    2010-09-15

    This report aims to describe the market potential for biogas and biomass heat and power applications, and to assess the opportunities and barriers for development of such biomass markets locally and internationally. The project has been commissioned by ENERCOAST whose overall aim is to create a market for bio energy in the North Sea area. The project uses Denmark, Central Denmark Region, and three Danish municipalities (Randers, Norddjurs, and Syddjurs) to illustrate the challenges related to developing a more substantial market for bio energy trade. A parallel study also commissioned by ENERCOAST and carried out by Ea Energy Analyses assessed the sustainability of relevant biomass supply chains related to the resource accessibility in the three municipalities. The primary focus was on biogas, straw, wood residues, and energy crops for combined heat and power production and the results were presented in a report released in July of 2010 entitled 'SSCM Analysis of the Bioenergy Resources in Randers, Norddjurs and Syddjurs' (Ea Energy Analyses, 2010). The data basis for both studies is very similar, and as such the current report incorporates and builds upon many of the SSCM reports findings. The present report describes the market structures and price developments of the aforementioned biomass resources. The market structures and trade conditions are described on a local (the 3 municipalities), national (Denmark) and regional/international (European/global) level. (LN)

  13. Proceedings of the 3. international symposium on applied microbiology and molecular biology in oil systems: ISMOS 3

    Energy Technology Data Exchange (ETDEWEB)

    Rooijen, Gijs van; Caffrey, Sean M. [Genome Alberta (Canada); Lund Skovhus, Torben [DTI Oil and Gas (Denmark); Whitby, Corinne [University of Essex (United Kingdom)

    2011-07-01

    The 3rd international symposium on applied microbiology and molecular biology in oil systems was held in Calgary, Alberta, Canada, from June 13th to June 15th, 2011. This conference, organized by ISMOS TSC, gathered experts to discuss the application of microbial and molecular biology in the hydrocarbon sector. The conference was attended by key players from the oil and gas industry and provided them with the opportunity to learn about some of the latest technologies in areas such as the application of molecular microbiological methods for oil field systems, biodegradation of hydrocarbons in oil production, biofuels and downstream petroleum microbiology and challenges in biofuels and oil sands developments, and to network with their peers and share their expertise. 17 of the 31 papers presented during this conference have been catalogued separately for inclusion in this database.

  14. IAEA support of international research and development of materials for sustainable energy applications

    International Nuclear Information System (INIS)

    Zeman, Andrej; Kaiser, Ralf; Simon, Aliz

    2013-01-01

    Full-text:The key mandate of the International Atomic Energy Agency (IAEA) is to promote the peaceful application of nuclear science and technology, verification as well as nuclear safety in the world. This includes a number of activities which aim to support the Member States and stimulate international cooperation in order for sustainable development. During the last 35 years, a well-established mechanism called the Coordinated Research Projects (CRP) has been effectively used to stimulate international research and scientific interaction among the Member States, covering various topics in the nuclear science and technology. Besides direct support of, so called coordinated research, the IAEA is also involved in organizing a number of highly specific international conferences and technical meetings which help to provide a broader platform for the specialist and experts in dedicated areas of nuclear science and technology. In view of support for renewable energy and its application, the IAEA organized series of meetings in 2009 (IEA France), 2010 (UQTR Canada) and 2011 (ANL USA) in order to discuss the scientific and technical issues of particular of national research initiatives related to the hydrogen storage and conversion technologies. All selected outputs of the meetings were published in a technical document publication series which are available to all member states. More recent initiatives are focus on the key nuclear techniques which are extremely valuable in research and development of new innovative materials, methods and technologies, characterization and performance testing of functional materials for innovative energy technologies and their application in sustainable energy sources (nuclear and non-nuclear). It is also important to underline that these programmatic activities are an integral part of the IAEA program on the Road to Rio+20: Applying Nuclear Technology for Sustainable Development. The paper summarizes the IAEA actions relevant to the

  15. The inherent dynamics of a molecular liquid: Geodesic pathways through the potential energy landscape of a liquid of linear molecules

    Science.gov (United States)

    Jacobson, Daniel; Stratt, Richard M.

    2014-05-01

    Because the geodesic pathways that a liquid follows through its potential energy landscape govern its slow, diffusive motion, we suggest that these pathways are logical candidates for the title of a liquid's "inherent dynamics." Like their namesake "inherent structures," these objects are simply features of the system's potential energy surface and thus provide views of the system's structural evolution unobstructed by thermal kinetic energy. This paper shows how these geodesic pathways can be computed for a liquid of linear molecules, allowing us to see precisely how such molecular liquids mix rotational and translational degrees of freedom into their dynamics. The ratio of translational to rotational components of the geodesic path lengths, for example, is significantly larger than would be expected on equipartition grounds, with a value that scales with the molecular aspect ratio. These and other features of the geodesics are consistent with a picture in which molecular reorientation adiabatically follows translation—molecules largely thread their way through narrow channels available in the potential energy landscape.

  16. International and European regulations in the energy law: selected issues

    International Nuclear Information System (INIS)

    Schwarz, F.

    2010-01-01

    This work deals with four selected legal aspects or issues in the energy sector, which are mainly located in the international, European and at the interface to national law. The first question is 'The status of the investor to the Energy Charter' and addresses issues regarding the investor position and their characteristics according to the Energy Charter Treaty. The second question is 'aspects of energy competence under the Treaty of Lisbon' and deals among others questions with the new energy expertise offense, as well as direct investment. The third issue, titled 'The admissibility of ownership unbundling' illuminates terms of a proposal, which plan a full ownership unbundling of transmission system operators, in more detail. The fourth issue is 'aspects for the implementation of directive 2006/32/EC' and deals with aspects of the implementation of this directive in Austria. This work is making an attempt to shed light on these questions and their issues in more detail by also taking into account the Austrian perspectives. In my view the energy sector is an economically important and politically embossed area that always has a current relevance to daily life and will raise more legal questions in future. (kancsar) [de

  17. Dependence of mechanical characteristics from composition and structure and optimization of mechanical fracture energy of polymer composite material based on high-molecular rubbers

    Directory of Open Access Journals (Sweden)

    E. Nurullaev

    2017-07-01

    Full Text Available By means of numerical experiment the authors investigate dependence of conventional rupturing stress and mechanical fracture energy at uniaxial tension from fractional composition of dispersed filler, plasticizer volume fraction in polymer binder, effective density of transverse bonds, applied to development of covering for different purposes and with advanced service life in temperature range from 223 to 323 K. They compare mechanical characteristics of polymer composite materials (PCMs based on high- and low-molecular rubbers. It was shown that rupturing stress of high-molecular rubber-based PCM is of a higher magnitude than the stress of low-molecular rubber-based one at almost invariable rupturing deformation. Numerical simulation by variation of composition parameters and molecular structure enables evaluation of its maximum fracture energy which is 1000 times higher than mechanical fracture energy of similar composites based on low-molecular rubbers.

  18. Editorial - International Journal of Sustainable Energy Planning and Management Vol 9

    Directory of Open Access Journals (Sweden)

    Poul Alberg Østergaard

    2016-06-01

    Full Text Available This editorial introduces the ninth volume of the International Journal of Sustainable Energy Planning and Management. The volume addresses alternative ways of providing diesel fuel through emulsification ow waste cooking oil and fat, estimation of global solar energy potentials based on publically available data, and a large review of global grid connected electricity storage systems. Finally, an article applies stochastic programming to analyse optimal district heating expansion scenarios with particular focus on the phasing issue of investments in district heating grids.

  19. First-principles and classical molecular dynamics study of threshold displacement energy in beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Vladimirov, P.V. [Institute for Applied Materials – Applied Materials Physics, Karlsruhe Institute of Technology, P.O. Box 3640, 76021 Karlsruhe (Germany); Borodin, V.A., E-mail: Borodin_VA@nrcki.ru [National Research Center “Kurchatov Institute”, 123182 Moscow (Russian Federation); NRNU MEPhI, 115409 Moscow (Russian Federation)

    2017-02-15

    Highlights: • Beryllium is a functional material of future fusion reactors. • The threshold displacement energy by fast particles is studied. • Classical and first principles simulations are used. - Abstract: Beryllium selected as a neutron multiplier material for the tritium breeding blanket of fusion reactor should withstand high doses of fast neutron irradiation. The damage produced by irradiation is usually evaluated assuming that the number of atomic displacements to the threshold displacement energy, E{sub d}, which is considered as an intrinsic material parameter. In this work the value of E{sub d} for hcp beryllium is estimated simultaneously from classical and first-principles molecular dynamics simulations. Quite similar quantitative pictures of defect production are observed in both simulation types, though the predicted displacement threshold values seem to be approximately two times higher in the first-principles approach. We expect that, after more detailed first-principles investigations, this approach can be used for scaling the damage prediction predictions by classical molecular dynamics, opening a way for more consistent calculations of displacement damage in materials.

  20. United States Energy Association Final Report International Partnership for the Hydrogen Economy Ministerial Conference

    Energy Technology Data Exchange (ETDEWEB)

    William L. Polen

    2006-04-05

    This report summarizes the activities of the United States Energy Association as it conducted the initial Ministerial Meeting of the International Partnership for the Hydrogen Economy in Washington, DC on November 18-21, 2003. The report summarizes the results of the meeting and subsequent support to the Office of Energy Efficiency and Renewable Energy in its role as IPHE Secretariat.