WorldWideScience

Sample records for rotational barrier energy

  1. Partitioning of methyl internal rotational barrier energy of ...

    Indian Academy of Sciences (India)

    Unknown

    note that the parallel structural changes induced by methyl rotation in acetaldehyde are the lengthening of the C–C bond by 0⋅007 Å and the expansion of the CCHald bond angle by 1⋅5°16. These results are in order because the replacement of O by S in going from acetaldehyde to thioacetaldehyde is expected to show a ...

  2. Location of energy barriers. IV - Effect of rotation and mass on the dynamics of reactions A + BC.

    Science.gov (United States)

    Hodgson, B. A.; Polanyi, J. C.

    1971-01-01

    Examination of the effect of the inclusion of a small but significant amount of rotational energy in the reagents, and of a change in reagent masses in a previous study of the effect of barrier location on the dynamics of thermonuclear reaction A + BC yields AB + C. The qualitative generalizations introduced in the previous study are found to remain valid despite the introduction of the variables. Of these generalizations the most important is that reagent translational energy favors reaction on surface I, whereas reagent vibration is the most favorable to reaction on surface II.

  3. Energy barriers

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, M.

    1991-01-01

    Energy conservation and home insulation may have been off the front pages in recent years, but rising fuel prices and the current crisis in the Mideast remind us once again that it's time to make sure our houses are adequately insulated. Doing so saves money and, to borrow a phrase from that Quaker Oats commercial, It's the right thing to do. Heat always wants to sneak from a warm space to a cold one. In the winter, it's like a convict trying to bust out of the big joint - it looks for any gap, crack or chink that it can slip through. Int he summer, it's more like a burglar trying to break in to your house. Insulation, properly installed, keeps the heat and the cold where you want it. You probably already know that insulation is rated by R-value, which indicates the material's ability to (R)esist the flow of heat. The higher the R-value, the greater the insulating power. But how much is enough The three model national building codes that form the basis for most state and municipal building codes now support a single, recently revised Model Energy Code. This article deals with deciding how much insulation is right for the application and how to install it correctly.

  4. Hindered rotational energy barriers of BH4- tetrahedra in β-Mg(BH4)2 from quasielastic neutron scattering and DFT calculations

    DEFF Research Database (Denmark)

    Blanchard, Didier; Maronsson, Jon Bergmann; Riktor, M.D.

    2012-01-01

    In this work, hindered rotations of the BH4- tetrahedra in Mg(BH4)2 were studied by quasielastic neutron scattering, using two instruments with different energy resolution, in combination with density functional theory (DFT) calculations. Two thermally activated reorientations of the BH4- units......, around the 2-fold (C2) and 3-fold (C3) axes were observed at temperatures from 120 to 440 K. The experimentally obtained activation energies (EaC2 = 39 and 76 meV and EaC3 = 214 meV) and mean residence times between reorientational jumps are comparable with the energy barriers obtained from DFT...... calculations. A linear dependency of the energy barriers for rotations around the C2 axis parallel to the Mg-Mg axis with the distance between these two axes was revealed by the DFT calculations. At the lowest temperature (120 K) only 15% of the BH4- units undergo rotational motion and from comparison with DFT...

  5. Rotational energy surfaces of molecules exhibiting internal rotation

    Science.gov (United States)

    Ortigoso, Juan; Hougen, Jon T.

    1994-08-01

    Rotational energy surfaces [W. G. Harter and C. W. Patterson, J. Chem. Phys. 80, 4241 (1984)] for a molecule with internal rotation are constructed. The study is limited to torsional states at or below the top of the barrier to internal rotation, where the extra (torsional) degree of freedom can be eliminated by expanding eigenvalues of the torsion-K-rotation Hamiltonian as a Fourier series in the rotational degree of freedom. For acetaldehyde, considered as an example, this corresponds to considering vt=0, 1, and 2 (below the barrier) and vt=3 (just above the barrier). The rotational energy surfaces are characterized by locating their stationary points (maxima, minima, and saddles) and separatrices. Rather complicated catastrophe histories describing the creation and annihilation of pairs of stationary points as a function of J are found at moderate J for given torsional quantum number (vt) and symmetry species (A,E). Trajectories on the rotational energy surface which quantize the action are examined, and changes from rotational to vibrational trajectories caused by changes in the separatrix structure are found as a function of J for vt=2. The concept of a ``best'' quantization axis for the molecule-fixed component of the total angular momentum is examined from a classical point of view, and it is shown that labeling ambiguities encountered in the literature for torsion-rotation energy levels, calculated numerically in the rho-axis system, can be eliminated by reprojecting basis-set K values onto an axis passing through an appropriate stationary point on the rotational energy surface.

  6. Determination of the barriers to internal rotation in ONOOX (X = H, Cl) and characterization of the minimum energy conformers

    Energy Technology Data Exchange (ETDEWEB)

    McGrath, M.P.; Rowland, F.S. (Univ. of California, Irvine, CA (United States))

    1994-01-27

    Because of the interest in their possible formation in the atmosphere, the conformational potential energy surfaces of ONOOH (peroxynitrous acid) and ONOOCl (chlorine peroxynitrite) were thoroughly investigated using correlated methods of electronic structure theory. Three conformers of ONOOH were found to be minima, the lowest in energy a planar five-membered hydrogen-bonded ring, predicted to lie 1 kcal mol[sup [minus]1] below the form with a cis ONOO arrangement and perpendicular OH bond. Although predicted to be 3 kcal mol[sup [minus]1] higher in energy than the planar conformer (in the gas phase), the identity of the form previously observed in matrix isolation experiments is suggested to have a trans ONOO arrangement and perpendicular OH bond, consistent with the experimental assignment. The chlorine analog ONOOCl was found to have two minimum energy conformers, the cis-perpendicular form predicted to lie 2 kcal mol[sup [minus]1] below the trans-perpendicular form. Rotation about the peroxide bond is much more hindered in ONOOCl than in ONOOH: Calculations of physical properties, including geometrical structures and vibrational spectra, were made at the MP2 level of theory using basis sets ranging in quality from 6-31G(d) to 6-311G(2df,2p). Thermochemical tabulations based on G2 and G2(MP2) energies were made for ONOOH and ONOOCl, respectively. Values of [Delta]G(300 K), for production of the lowest energy conformers from reactants XO + NO[sub 2], are predicted to be [minus]12 kcal mol[sup [minus]1] (X = H) and +3 kcal mol[sup [minus]1] (X = Cl). 23 refs., 3 figs., 6 tabs.

  7. A critical analysis on the rotation barriers in butane.

    Science.gov (United States)

    Mo, Yirong

    2010-04-16

    As a textbook prototype for the introduction of steric hindrance in organic chemistry, the elucidation of the butane rotation barriers is fundamental for structural theory, and requires a consistent theoretical model to differentiate the steric and electronic effects. Here we employed the BLW method to probe the electronic (hyperconjugative) interactions. Results show that although there are stronger hyperconjugative interactions in the staggered anti and gauche conformers than the eclipsed structures, the energy curve and barriers are dominated by the steric repulsion.

  8. On-column deracemization of an atropisomeric biphenyl by quinine-based stationary phase and determination of rotational energy barrier by enantioselective stopped-flow HPLC and CEC.

    Science.gov (United States)

    Tobler, E; Lämmerhofer, M; Mancini, G; Lindner, W

    2001-01-01

    The reversible enantiomerization of axially chiral 2'-dodecyloxy-6-nitrobiphenyl-2-carboxylic acid was studied in the presence of a brush type chiral stationary phase based on O-(tert-butylcarbamoyl) quinine as chiral selector unit by stopped-flow high-performance liquid chromatography (sfHPLC) and capillary electrochromatography (sfCEC). After initial separation of the enantiomers in the first section of the column, the flow was stopped and the resolved species allowed to enantiomerize on-column. From this conversion, which could be determined from the enantiomeric ratios at different enantiomerization times, kinetic rate constants were calculated. By sfHPLC at a constant temperature of 15 degrees C, kinetic rate constants in the presence of the CSP were found to be 4.1 x 10(-5) s(-1) and 2.2 x 10(-5) s(-1) for the (-) and (+)-enantiomers, respectively, corresponding to half-lives of 279 and 530 min. Thus, apparent activation energies of enantiomerization were calculated to be 93.0 and 94.6 kJ mol(-1) for the (-) and (+)-enantiomers. On the macroscopic level, the apparent difference of rotational energy barriers and kinetic rate constants for both enantiomers is reflected as deracemization. For example, starting from a racemic mixture, an enantiomeric excess (ee) of 14% was seen in the stopped-flow HPLC experiment described after an enantiomerization time of 220 min at 15 degrees C, and a maximal ee of 17% can be approximated after infinite enantiomerization time. There is good agreement between HPLC and CEC results as well as their experimental errors, confirming that the new sfCEC technique may be a valuable and convenient tool to study interconversion processes. Copyright 2001 Wiley-Liss, Inc.

  9. Multiplexed Energy Coupler for Rotating Equipment

    Science.gov (United States)

    Zhao, Xiaoliang

    2011-01-01

    A multiplexing antenna assembly can efficiently couple AC signal/energy into, or out of, rotating equipment. The unit only passes AC energy while blocking DC energy. Concentric tubes that are sliced into multiple pieces are assembled together so that, when a piece from an outer tube aligns well with an inner tube piece, efficient energy coupling is achieved through a capacitive scheme. With N outer pieces and M inner pieces, an effective N x M combination can be achieved in a multiplexed manner. The energy coupler is non-contact, which is useful if isolation from rotating and stationary parts is required. Additionally, the innovation can operate in high temperatures. Applications include rotating structure sensing, non-contact energy transmission, etc.

  10. Highway renewable energy : photovoltaic noise barriers

    Science.gov (United States)

    2017-07-01

    Highway photovoltaic noise barriers (PVNBs) represent the combination of noise barrier systems and photovoltaic systems in order to mitigate traffic noise while simultaneously producing renewable energy. First deployed in Switzerland in 1989, PVNBs a...

  11. Barriers to improvements in energy efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, A.K.N.

    1991-10-01

    To promote energy-efficiency improvements, actions may be required at one or more levels -- from the lowest level of the consumer (residential, commercial, industrial, etc.) through the highest level of the global agencies. But barriers to the implementation of energy-efficiency improvements exist or can arise at all these levels. Taking up each one of these barriers in turn, the paper discusses specific measures that can contribute to overcoming the barriers. However, a one-barrier-one-measure approach must be avoided. Single barriers may in fact involve several sub-barriers. Also, combinations of measures are much more effective in overcoming barriers. In particular, combinations of measures that simultaneously overcome several barriers are most successful. The paper discusses the typology of barriers, explores their origin and suggests measures that by themselves or in combination with other measures, will overcome these barriers. Since most of the barriers dealt with can be found in the ``barriers`` literature, any originality in the paper lies in its systematic organization, synoptic view and holistic treatment of this issue. This paper is intended to initiate a comprehensive treatment of barriers, their origins and the measures that contribute to overcoming them. Hopefully, such a treatment will facilitate the implementation of energy-efficiency improvements involving a wide diversity of ever-changing energy end uses and consumer preferences.

  12. Barriers to improvements in energy efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, A.K.N.

    1991-10-01

    To promote energy-efficiency improvements, actions may be required at one or more levels -- from the lowest level of the consumer (residential, commercial, industrial, etc.) through the highest level of the global agencies. But barriers to the implementation of energy-efficiency improvements exist or can arise at all these levels. Taking up each one of these barriers in turn, the paper discusses specific measures that can contribute to overcoming the barriers. However, a one-barrier-one-measure approach must be avoided. Single barriers may in fact involve several sub-barriers. Also, combinations of measures are much more effective in overcoming barriers. In particular, combinations of measures that simultaneously overcome several barriers are most successful. The paper discusses the typology of barriers, explores their origin and suggests measures that by themselves or in combination with other measures, will overcome these barriers. Since most of the barriers dealt with can be found in the barriers'' literature, any originality in the paper lies in its systematic organization, synoptic view and holistic treatment of this issue. This paper is intended to initiate a comprehensive treatment of barriers, their origins and the measures that contribute to overcoming them. Hopefully, such a treatment will facilitate the implementation of energy-efficiency improvements involving a wide diversity of ever-changing energy end uses and consumer preferences.

  13. Energy crops in rotation. A review

    Energy Technology Data Exchange (ETDEWEB)

    Zegada-Lizarazu, Walter; Monti, Andrea [Department of Agroenvironmental Science and Technology, University of Bologna, Viale G. Fanin, 44 - 40127, Bologna (Italy)

    2011-01-15

    The area under energy crops has increased tenfold over the last 10 years, and there is large consensus that the demand for energy crops will further increase rapidly to cover several millions of hectares in the near future. Information about rotational systems and effects of energy crops should be therefore given top priority. Literature is poor and fragmentary on this topic, especially about rotations in which all crops are exclusively dedicated to energy end uses. Well-planned crop rotations, as compared to continuous monoculture systems, can be expected to reduce the dependence on external inputs through promoting nutrient cycling efficiency, effective use of natural resources, especially water, maintenance of the long-term productivity of the land, control of diseases and pests, and consequently increasing crop yields and sustainability of production systems. The result of all these advantages is widely known as crop sequencing effect, which is due to the additional and positive consequences on soil physical-chemical and biological properties arising from specific crops grown in the same field year after year. In this context, the present review discusses the potential of several rotations with energy crops and their possibilities of being included alongside traditional agriculture systems across different agro-climatic zones within the European Union. Possible rotations dedicated exclusively to the production of biomass for bioenergy are also discussed, as rotations including only energy crops could become common around bio-refineries or power plants. Such rotations, however, show some limitations related to the control of diseases and to the narrow range of available species with high production potential that could be included in a rotation of such characteristics. The information on best-known energy crops such as rapeseed (Brassica napus) and sunflower (Helianthus annuus) suggests that conventional crops can benefit from the introduction of energy crops in

  14. Woody biomass from short rotation energy crops

    Science.gov (United States)

    R.S. Zalesny; M.W. Cunningham; R.B. Hall; J. Mirck; D.L. Rockwood; John Stanturf; T.A. Volk

    2011-01-01

    Short rotation woody crops (SRWCs) are ideal for woody biomass production and management systems because they are renewable energy feedstocks for biofuels, bioenergy, and bioproducts that can be strategically placed in the landscape to conserve soil and water, recycle nutrients, and sequester carbon. This chapter is a synthesis of the regional implications of producing...

  15. Energy transfer in scattering by rotating potentials

    Indian Academy of Sciences (India)

    Quantum mechanical scattering theory is studied for time-dependent Schrödinger operators, in particular for particles in a rotating potential. Under various assumptions about the decay rate at infinity we show uniform boundedness in time for the kinetic energy of scattering states, existence and completeness of wave ...

  16. Shakeoff Ionization near the Coulomb Barrier Energy

    Science.gov (United States)

    Sharma, Prashant; Nandi, T.

    2017-11-01

    We measure the projectile K x-ray spectra as a function of the beam energies around the Coulomb barrier in different collision systems. The energy is scanned in small steps around the barrier aiming to explore the nuclear effects on the elastically scattered projectile ions. The variation of the projectile x-ray energy with the ion-beam energies exhibits an unusual increase in between the interaction barrier and fusion barrier energies. This additional contribution to the projectile ionization can be attributed to the shakeoff of outer-shell electrons of the projectile ions due to the sudden nuclear recoil (˜10-21 sec ) caused by the attractive nuclear potential, which gets switched on near the interaction barrier energy. In the sudden approximation limit, the theoretical shakeoff probability calculation due to the nuclear recoil explains the observed data well. In addition to its fundamental interest, such processes can play a significant role in dark matter detection through the possible mechanism of x-ray emissions, where the weakly interacting massive particle-nucleus elastic scattering can lead to the nuclear-recoil-induced inner-shell vacancy creations. Furthermore, the present work may provide new prospects for atomic physics research at barrier energies as well as provide a novel technique to perform barrier distribution studies for two-body systems.

  17. A low frequency rotational energy harvesting system

    Science.gov (United States)

    Febbo, M.; Machado, S. P.; Ramirez, J. M.; Gatti, C. D.

    2016-11-01

    This paper presents a rotary power scavenging unit comprised of two systems of flexible beams connected by two masses which are joined by means of a spring, considering a PZT (QP16N, Midé Corporation) piezoelectric sheet mounted on one of the beams. The energy harvesting (EH) system is mounted rigidly on a rotating hub. The gravitational force on the masses causes sustained oscillatory motion in the flexible beams as long as there is rotary motion. The intention is to use the EH system in the wireless autonomous monitoring of wind turbines under different wind conditions. Specifically, the development is oriented to monitor the dynamic state of the blades of a wind generator of 30 KW which rotates between 50 and 150 rpm. The paper shows a complete set of experimental results on three devices, modifying the amount of beams in the frame supporting the system. The results show an acceptable sustained voltage generation for the expected range, in the three proposed cases. Therefore, it is possible to use this system for generating energy in a low-frequency rotating environment. As an alternative, the system can be easily adapted to include an array of piezoelectric sheets to each of the beams, to provide more power generation.

  18. Vibrational and Rotational Energy Relaxation in Liquids

    DEFF Research Database (Denmark)

    Petersen, Jakob

    Vibrational and rotational energy relaxation in liquids are studied by means of computer simulations. As a precursor for studying vibrational energy relaxation of a solute molecule subsequent to the formation of a chemical bond, the validity of the classical Bersohn-Zewail model for describing......, the vibrational energy relaxation of I2 subsequent to photodissociation and recombination in CCl4 is studied using classical Molecular Dynamics simulations. The vibrational relaxation times and the time-dependent I-I pair distribution function are compared to new experimental results, and a qualitative agreement...... the intramolecular dynamics during photodissociation is investigated. The apparent agreement with quantum mechanical calculations is shown to be in contrast to the applicability of the individual approximations used in deriving the model from a quantum mechanical treatment. In the spirit of the Bersohn-Zewail model...

  19. Metal interfaces - Adhesive energies and electronic barriers

    Science.gov (United States)

    Ferrante, J.; Smith, J. R.

    1976-01-01

    We report a fully self-consistent calculation of the electron number density, barrier height and adhesive energy as a function of separation in an aluminum-aluminum (100) contact. The local density approximation is used for exchange and correlation. The electron number density and barrier heights are strong functions of the separation. The range of strong chemical bonding is about 0.2 nm.

  20. A high rotational barrier for physisorbed hydrogen in an fcu-metal-organic framework

    KAUST Repository

    Pham, Tony T.

    2014-01-01

    A combined inelastic neutron scattering (INS) and theoretical study of H2 sorption in Y-FTZB, a recently reported metal-organic framework (MOF) with fcu topology, reveals that the strongest binding site in the MOF causes a high barrier to rotation on the sorbed H2. This rotational barrier for H2 is the highest yet of reported MOF materials based on physisorption. This journal is

  1. Ab initio potential energy surface and vibration-rotation energy levels of beryllium monohydroxide.

    Science.gov (United States)

    Koput, Jacek

    2017-01-05

    The accurate potential energy surface of beryllium monohydroxide, BeOH, in its ground electronic state X 2A' has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent core-valence basis sets up to septuple-zeta quality. The higher-order electron correlation, scalar relativistic, and adiabatic effects were taken into account. The BeOH molecule was confirmed to be bent at equilibrium, with the BeOH angle of 141.2° and the barrier to linearity of 129 cm-1 . The vibration-rotation energy levels of the BeOH and BeOD isotopologues were predicted using a variational approach and compared with recent experimental data. The results can be useful in a further analysis of high-resolution vibration-rotation spectra of these interesting species. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  2. Market and Policy Barriers to Energy Storage Deployment

    Energy Technology Data Exchange (ETDEWEB)

    Bhatnagar, Dhruv [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Currier, Aileen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hernandez, Jacquelynne [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ma, Ookie [Dept. of Energy (DOE), Washington DC (United States) Office of Energy Efficiency and Renewable Energy; Kirby, Brendan [Consultant

    2013-09-01

    Electric energy storage technologies can provide numerous grid services; there are a number of factors that restrict their current deployment. The most significant barrier to deployment is high capital costs, though several recent deployments indicate that capital costs are decreasing and energy storage may be the preferred economic alternative in certain situations. However, a number of other market and regulatory barriers persist, limiting further deployment. These barriers can be categorized into regulatory barriers, market (economic) barriers, utility and developer business model barriers, cross-cutting barriers and technology barriers.

  3. Energy analysis of vehicle-to-cable barrier impacts.

    Science.gov (United States)

    2013-06-01

    An accident reconstruction technique was developed for estimating the energy absorbed during an impact with a cable barrier system as well as the initial impact velocity. The kinetic energy absorbed during a cable barrier system impact is comprised o...

  4. Energy transfer in scattering by rotating potentials

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    subspace of asymptotically free scattering states. 3. Evolution in a rotating frame. Here we study the time evolution in a rotating frame for potentials which no longer have to be smooth. This transformation yields an explicit formula for the propagator U(t,s) in terms of the unitary group for some time-independent generator.

  5. Barriers for realisation of energy savings in buildings; Barrierer for realisering af energibesparelser i bygninger

    Energy Technology Data Exchange (ETDEWEB)

    Jensen, O.M.

    2004-07-01

    Many years' efforts within the energy labelling area have shown large saving potentials in heating and use of electricity in buildings. At the same time it has been proved that these saving potentials, even when economically advantageous, only are cashed to a limited extent. The reason to this is ascribed to barriers that meet the individual building owner who wants to start saving energy. Most barriers are known and a lot of these have been sought overcome for some time. The questions are how many barriers still exist, have new barriers arisen and the character of these barriers. On this background the objective of this survey has been to concretize and study the barriers, which are blocking reasonable energy savings. Focus has especially been on barriers for realisation of heating savings, but through a general evaluation of energy savings of barriers other forms of energy saving methods have been taken into consideration. Special interest has been directed towards houses, typically one family houses, which are affected by the Energy Labelling Scheme. The concept barriers include all kinds of barriers, also barriers that not are acknowledged as barriers by the individual house owner, or that on closer inspection turn out to be something else than actual barriers. This note suggests an alternative inertia model, in order to create an idea of the inertness characteristic of the many house owners who understand the message but fail to act on it. (BA)

  6. The Kinetic Energy of a Rotating Figure Skater.

    Science.gov (United States)

    Chen, Wei R.; Troelstra, Arne A.

    1998-01-01

    When a rotating figure skater's fully extended arms are pulled back toward the torso, the angular velocity is noticeably increased and the kinetic energy of the skater can also be shown to increase. Discusses the change of the kinetic energy during such a process, and the work necessary for such an increase is derived using a dynamic equilibrium…

  7. Barriers to electric energy efficiency in Ghana

    Science.gov (United States)

    Berko, Joseph Kofi, Jr.

    Development advocates argue that sustainable development strategies are the best means to permanently improve living standards in developing countries. Advocates' arguments are based on the technical, financial, and environmental advantages of sustainable development. However, they have not addressed the organizational and administrative decision-making issues which are key to successful implementation of sustainable development in developing countries. Using the Ghanaian electricity industry as a case study, this dissertation identifies and analyzes organizational structures, administrative mechanisms, and decision-maker viewpoints that critically affect the success of adoption and implementation of energy efficiency within a sustainable development framework. Utilizing semi-structured interviews in field research, decision-makers' perceptions of the pattern of the industry's development, causes of the electricity supply shortfall, and barriers to electricity-use efficiency were identified. Based on the initial findings, the study formulated a set of policy initiatives to establish support for energy use efficiency. In a second set of interviews, these policy suggestions were presented to some of the top decision-makers to elicit their reactions. According to the decision-makers, the electricity supply shortfall is due to rapid urbanization and increased industrial consumption as a result of the structural adjustment program, rural electrification, and the sudden release of suppressed loads. The study found a lack of initiative and collaboration among industry decision-makers, and a related divergence in decision-makers' concerns and viewpoints. Also, lacking are institutional support systems and knowledge of proven energy efficiency strategies and technologies. As a result, planning, and even the range of perceived solutions to choose from are supply-side oriented. The final chapter of the study presents implications of its findings and proposes that any

  8. Barriers to Investment in Energy from Renewable Sources

    Directory of Open Access Journals (Sweden)

    Corina PÎRLOGEA

    2011-06-01

    Full Text Available This paper attempts to create an overview of the current situation in the Romanian energy sector, pointing out elements of energy demand, production, investment in the sector and not least the potential of renewable energy sources. As Romania has aligned itself with the European Commission's 20-20-20 program, an important step in achieving the set targets is represented by a significant amount of investments in the development of energy from renewable sources. But there are a number of challenges that investment projects may face, namely, barriers more or less deliberate, more difficult or easier to overcome or remove, some of them real market distortions and others coming from the comparison between green energy and classic sources of energy. So, the last part of the work is dedicated to these barriers. Dividing them into four categories administrative barriers, technical and technological barriers, market barriers and economic barriers allows a better distribution of the identified barriers. It is a comprehensive and equitable approach than their splitting into cost barriers and non-cost barriers, which would have meant a long list for the second category specified.

  9. Barriers to Industrial Energy Efficiency - Report to Congress, June 2015

    Energy Technology Data Exchange (ETDEWEB)

    None

    2015-06-01

    This report examines barriers that impede the adoption of energy efficient technologies and practices in the industrial sector, and identifies successful examples and opportunities to overcome these barriers. Three groups of energy efficiency technologies and measures were examined: industrial end-use energy efficiency, industrial demand response, and industrial combined heat and power. This report also includes the estimated economic benefits from hypothetical Federal energy efficiency matching grants, as directed by the Act.

  10. Barriers to Industrial Energy Efficiency - Study (Appendix A), June 2015

    Energy Technology Data Exchange (ETDEWEB)

    None

    2015-06-01

    This study examines barriers that impede the adoption of energy efficient technologies and practices in the industrial sector, and identifies successful examples and opportunities to overcome these barriers. Three groups of energy efficiency technologies and measures were examined: industrial end-use energy efficiency, industrial demand response, and industrial combined heat and power. This study also includes the estimated economic benefits from hypothetical Federal energy efficiency matching grants, as directed by the Act.

  11. Limit on rotational energy available to excite Jovian aurora

    Science.gov (United States)

    Eviatar, A.; Siscoe, G. L.

    1980-01-01

    There is a fundamental relationship between the power that is extracted from Jupiter's rotation to drive magnetospheric processes and the rate at which mass is injected into the Io plasma torus. Half of this power is consumed by bulk motion of the plasma and the other half represents an upper limit on the energy from rotation available for dissipation and in particular to excite the Jovian aurora. Since the rotation of the planet is the only plausible source of energy, the power inferred from the observed auroral intensities requires a plasma injection rate of 2.6 x 10 to the 29th AMU/sec or greater. This in turn leads to a residence time of a torus particle of 48 days or less. These results raise doubts about the applicability of equilibrium thermodynamics to the determination of plasma parameters in the Io torus.

  12. Theoretical study of formic acid: A new look at the origin of the planar Z conformation and C-O rotational barrier

    Energy Technology Data Exchange (ETDEWEB)

    Hirao, Hajime [Department of Organic Chemistry and Lise Meitner-Minerva Center for Computational Quantum Chemistry, Hebrew University of Jerusalem, Givat Ram, Jerusalem 91904 (Israel)], E-mail: hiraoh@yfaat.ch.huji.ac.il

    2008-03-13

    The E and Z rotamers of formic acid (HCOOH) and its barrier to internal rotation about the C-O bond were computationally explored at the HF/6-311 + G**, B3LYP/cc-pVTZ, and CCSD(T)/cc-pVTZ levels of theory. All calculations yielded similar results consistent with experimental observations. Subsequent analysis of the interaction between formate ion (HCOO{sup -}) and proton (H{sup +}) within formic acid demonstrated a direct correlation between the changes in fragment interaction energy and the total energy of formic acid upon rotation. To obtain further insights into the interaction, energy decomposition analysis based on the reactive bond orbital (RBO) method was carried out using the 6-311 + G** basis set. The analysis showed the electrostatic effect constitutes a major component that gives rise to the interaction energy variation along the rotation path. Thus, the electrostatic environment of HCOO{sup -} can be viewed as the key factor determining the Z ground state and C-O rotational barrier of formic acid. The anisotropic electrostatic environment of formate that favors planar conformations of formic acid may be due to the in-plane distribution of carbonyl lone pairs, and the larger electrostatic attraction in the Z form appears to come from a secondary electrostatic interaction between the proton and the distal oxygen. At the rotational transition state, the O-H bond was not exactly perpendicular to the molecular plane, but slightly tilted toward the E side, which can also be explained by the electrostatic hypothesis. Charge-transfer stabilization was smallest in the Z conformation, but it gradually increased upon rotation to a maximum at the E conformation. Therefore, charge - transfer does not explain the geometry of formic acid. The important role of the electrostatic effect was also observed in in-plane rotation of the O-H bond.

  13. Woody biomass from short rotation energy crops. Chapter 2

    Science.gov (United States)

    R.S., Jr. Zalesny Jr.; M.W. Cunningham; R.B. Hall; J. Mirck; D.L. Rockwood; J.A. Stanturf; T.A. Volk

    2011-01-01

    Short rotation woody crops (SRWCs) are ideal for woody biomass production and management systems because they are renewable energy feedstocks for biofuels, bioenergy, and bioproducts that can be strategically placed in the landscape to conserve soil and water, recycle nutrients, and sequester carbon. This chapter is a synthesis of the regional implications of producing...

  14. Urban sound energy reduction by means of sound barriers

    Directory of Open Access Journals (Sweden)

    Iordache Vlad

    2018-01-01

    Full Text Available In urban environment, various heating ventilation and air conditioning appliances designed to maintain indoor comfort become urban acoustic pollution vectors due to the sound energy produced by these equipment. The acoustic barriers are the recommended method for the sound energy reduction in urban environment. The current sizing method of these acoustic barriers is too difficult and it is not practical for any 3D location of the noisy equipment and reception point. In this study we will develop based on the same method a new simplified tool for acoustic barriers sizing, maintaining the same precision characteristic to the classical method. Abacuses for acoustic barriers sizing are built that can be used for different 3D locations of the source and the reception points, for several frequencies and several acoustic barrier heights. The study case presented in the article represents a confirmation for the rapidity and ease of use of these abacuses in the design of the acoustic barriers.

  15. The energy transfer mechanism of a perturbed solid-body rotation flow in a rotating pipe

    Science.gov (United States)

    Feng, Chunjuan; Liu, Feng; Rusak, Zvi; Wang, Shixiao

    2017-04-01

    Three-dimensional direct numerical simulations of a solid-body rotation superposed on a uniform axial flow entering a rotating constant-area pipe of finite length are presented. Steady in time profiles of the radial, axial, and circumferential velocities are imposed at the pipe inlet. Convective boundary conditions are imposed at the pipe outlet. The Wang and Rusak (Phys. Fluids 8:1007-1016, 1996. doi: 10.1063/1.86882) axisymmetric instability mechanism is retrieved at certain operational conditions in terms of incoming flow swirl levels and the Reynolds number. However, at other operational conditions there exists a dominant, three-dimensional spiral type of instability mode that is consistent with the linear stability theory of Wang et al. (J. Fluid Mech. 797: 284-321, 2016). The growth of this mode leads to a spiral type of flow roll-up that subsequently nonlinearly saturates on a large amplitude rotating spiral wave. The energy transfer mechanism between the bulk of the flow and the perturbations is studied by the Reynolds-Orr equation. The production or loss of the perturbation kinetic energy is combined of three components: the viscous loss, the convective loss at the pipe outlet, and the gain of energy at the outlet through the work done by the pressure perturbation. The energy transfer in the nonlinear stage is shown to be a natural extension of the linear stage with a nonlinear saturated process.

  16. Rotational Energy Transfer of N2 Gas Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Rotational energy transfer between two N2 molecules is a fundamental process of some importance. Exchange is expected to play a role, but its importance is somewhat uncertain. Rotational energy transfer cross sections of N2 also have applications in many other fields including modeling of aerodynamic flows, laser operations, and linewidth analysis in nonintrusive laser diagnostics. A number of N2-N2 rigid rotor potential energy surface (PES) has been reported in the literature.

  17. Market and policy barriers to energy storage deployment :

    Energy Technology Data Exchange (ETDEWEB)

    Bhatnagar, Dhruv; Currier, Aileen B.; Hernandez, Jacquelynne; Ma, Ookie; Kirby, Brendan

    2013-09-01

    Electric energy storage technologies have recently been in the spotlight, discussed as essential grid assets that can provide services to increase the reliability and resiliency of the grid, including furthering the integration of variable renewable energy resources. Though they can provide numerous grid services, there are a number of factors that restrict their current deployment. The most significant barrier to deployment is high capital costs, though several recent deployments indicate that capital costs are decreasing and energy storage may be the preferred economic alternative in certain situations. However, a number of other market and regulatory barriers persist, limiting further deployment. These barriers can be categorized into regulatory barriers, market (economic) barriers, utility and developer business model barriers, crosscutting barriers and technology barriers. This report, through interviews with stakeholders and review of regulatory filings in four regions roughly representative of the United States, identifies the key barriers restricting further energy storage development in the country. The report also includes a discussion of possible solutions to address these barriers and a review of initiatives around the country at the federal, regional and state levels that are addressing some of these issues. Energy storage could have a key role to play in the future grid, but market and regulatory issues have to be addressed to allow storage resources open market access and compensation for the services they are capable of providing. Progress has been made in this effort, but much remains to be done and will require continued engagement from regulators, policy makers, market operators, utilities, developers and manufacturers.

  18. Rotational and divergent kinetic energy in the mesoscale model ALADIN

    Directory of Open Access Journals (Sweden)

    V. Blažica

    2013-03-01

    Full Text Available Kinetic energy spectra from the mesoscale numerical weather prediction (NWP model ALADIN with horizontal resolution 4.4 km are split into divergent and rotational components which are then compared at horizontal scales below 300 km and various vertical levels. It is shown that about 50% of kinetic energy in the free troposphere in ALADIN is divergent energy. The percentage increases towards 70% near the surface and in the upper troposphere towards 100 hPa. The maximal percentage of divergent energy is found at stratospheric levels around 100 hPa and at scales below 100 km which are not represented by the global models. At all levels, the divergent energy spectra are characterised by shallower slopes than the rotational energy spectra, and the difference increases as horizontal scales become larger. A very similar vertical distribution of divergent energy is obtained by using the standard ALADIN approach for the computation of spectra based on the extension zone and by applying detrending approach commonly used in mesoscale NWP community.

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

    CERN Document Server

    Thollander, Patrik

    2012-01-01

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

  20. Possible Measurable Effects of Dark Energy in Rotating Superconductors

    Directory of Open Access Journals (Sweden)

    Clovis Jacinto de Matos

    2009-01-01

    Full Text Available We discuss recent laboratory experiments with rotating superconductors and show that three so far unexplained experimentally observed effects (anomalous acceleration signals, anomalous gyroscope signals, Cooper pair mass excess can be physically explained in terms of a possible interaction of dark energy with Cooper pairs. Our approach is based on a Ginzburg-Landau-like model of electromagnetic dark energy, where gravitationally active photons obtain mass in the superconductor. We show that this model can account simultaneously for the anomalous acceleration and anomalous gravitomagnetic fields around rotating superconductors measured by Tajmar et al. and for the anomalous Cooper pair mass in superconductive Niobium, measured by Cabrera and Tate. It is argued that these three different physical effects are ultimately different experimental manifestations of the simultaneous spontaneous breaking of gauge invariance and of the principle of general covariance in superconductive materials.

  1. Translational versus rotational energy flow in water solvation dynamics

    Science.gov (United States)

    Rey, Rossend; Hynes, James T.

    2017-09-01

    Early molecular dynamics simulations discovered an important asymmetry in the speed of water solvation dynamics for charge extinction and charge creation for an immersed solute, a feature representing a first demonstration of the breakdown of linear response theory. The molecular level mechanism of this asymmetry is examined here via a novel energy flux theoretical approach coupled to geometric probes. The results identify the effect as arising from the translational motions of the solute-hydrating water molecules rather than their rotational/librational motions, even though the latter are more rapid and dominate the energy flow.

  2. Helicity fluctuations and turbulent energy production in rotating and non-rotating pipes

    Science.gov (United States)

    Orlandi, P.

    1995-01-01

    Finite-difference second-order accurate direct simulation of a turbulent pipe has been used to investigate how the turbulence production and dissipation change when a solid body rotation is applied. It is shown that when the helicity increases, the dissipation is reduced. It is asserted that to have a drag reduction the external action should be such as to disrupt the symmetry of right- and left-handed helical structures. In this study the Navier-Stokes equations in rotational form permit the turbulent energy production to be split into a part related to the energy cascade from large to small scales and into a part related to the convection by large scales. The full simulation data have shown the latter is greater than the former in the wall region and that, on the contrary, these two terms balance each other in the central region. From the pdf of the former, it has been shown how the vortical structures are changed in the wall region by the background radiation and how they are related to the changes in the energy production.

  3. Rate constants, timescales, and free energy barriers

    Science.gov (United States)

    Salamon, Peter; Wales, David; Segall, Anca; Lai, Yi-An; Schön, J. Christian; Hoffmann, Karl Heinz; Andresen, Bjarne

    2016-01-01

    The traditional connection between rate constants and free energy landscapes is extended to define effective free energy landscapes relevant on any chosen timescale. Although the Eyring-Polanyi transition state theory specifies a fixed timescale of τ=h/kBT}, we introduce instead the timescale of interest for the system in question, e.g. the observation time. The utility of drawing such landscapes using a variety of timescales is illustrated by the example of Holliday junction resolution. The resulting free energy landscapes are easier to interpret, clearly reveal observation time dependent effects like coalescence of short-lived states, and reveal features of interest for the specific system more clearly.

  4. Renewable Energy Permitting Barriers in Hawaii: Experience from the Field

    Energy Technology Data Exchange (ETDEWEB)

    Busche, S.; Donnelly, C.; Atkins, D.; Fields, R.; Black, C.

    2013-03-01

    This white paper presents a summary of the solicited input from permitting agencies and renewable energy developers on the permitting process in Hawaii to provide stakeholders in Hawaii, particularly those involved in permitting, with information on current permitting barriers that renewable energy developers are experiencing.

  5. Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC2.

    Science.gov (United States)

    Koput, Jacek

    2016-10-05

    The accurate ground-state potential energy surface of silicon dicarbide, SiC2 , has been determined from ab initio calculations using the coupled-cluster approach. Results obtained with the conventional and explicitly correlated coupled-cluster methods were compared. The core-electron correlation, higher-order valence-electron correlation, and scalar relativistic effects were taken into account. The potential energy barrier to the linear SiCC configuration was predicted to be 1782 cm(-1) . The vibration-rotation energy levels of the SiC2 , (29) SiC2 , (30) SiC2 , and SiC(13) C isotopologues were calculated using a variational method. The experimental vibration-rotation energy levels of the main isotopologue were reproduced to high accuracy. In particular, the experimental energy levels of the highly anharmonic vibrational ν3 mode of SiC2 were reproduced to within 6.7 cm(-1) , up to as high as the v3  = 16 state. © 2016 Wiley Periodicals, Inc.

  6. Torsional Barriers to Rotation and Planarization in Heterocyclic Oligomers of Value in Organic Electronics.

    Science.gov (United States)

    Lin, Janice B; Jin, Yu; Lopez, Steven A; Druckerman, Nathaniel; Wheeler, Steven E; Houk, K N

    2017-11-14

    In order to understand the conformational behavior of organic components in organic electronic devices, we have computed the torsional potentials for a library of thiophene-based heterodimers. The accuracy and efficiencies of computational methods for these organic materials were benchmarked for 11 common density functionals with three Pople basis sets against a Focal Point Analysis (FPA) on a model oligothiophene 2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]-thiophene (BTTT) system. This study establishes a set of general trends in regards to conformational preferences, as well as planarization and rotational barriers for a library comprised of common fragments found in organic materials. These gas phase structures are compared to experimental crystal structures to determine the effect of crystal packing on geometry. Finally, we analyze the structure of hole-transporting material DERDTS-TBDT and design a new oligomer likely to be planar in the solid state.

  7. Imprint reduction in rotating heavy ions beam energy deposition

    Energy Technology Data Exchange (ETDEWEB)

    Bret, A., E-mail: antoineclaude.bret@uclm.es [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, MS-51, Cambridge, MA 02138 (United States); ETSI Industriales, Universidad Castilla-La Mancha, 13071 Ciudad Real (Spain); Instituto de Investigaciones Energéticas y Aplicaciones Industriales, Campus Universitario de Ciudad Real, 13071 Ciudad Real (Spain); Piriz, A.R., E-mail: Roberto.Piriz@uclm.es [ETSI Industriales, Universidad Castilla-La Mancha, 13071 Ciudad Real (Spain); Instituto de Investigaciones Energéticas y Aplicaciones Industriales, Campus Universitario de Ciudad Real, 13071 Ciudad Real (Spain); Tahir, N.A., E-mail: n.tahir@gsi.de [GSI Darmstadt, Plankstrasse 1, 64291 Darmstadt (Germany)

    2014-01-01

    The compression of a cylindrical target by a rotating heavy ions beam is contemplated in certain inertial fusion schemes or in heavy density matter experiments. Because the beam has its proper temporal profile, the energy deposition is asymmetric and leaves an imprint which can have important consequences for the rest of the process. In this paper, the Fourier components of the deposited ion density are computed exactly in terms of the beam temporal profile and its rotation frequency Ω. We show that for any beam profile of duration T, there exist an infinite number of values of ΩT canceling exactly any given harmonic. For the particular case of a parabolic profile, we find possible to cancel exactly the first harmonic and nearly cancel every other odd harmonics. In such case, the imprint amplitude is divided by 4 without any increase of Ω.

  8. Stereodynamic tetrahydrobiisoindole “NU-BIPHEP(O”s: functionalization, rotational barriers and non-covalent interactions

    Directory of Open Access Journals (Sweden)

    Golo Storch

    2016-07-01

    Full Text Available Stereodynamic ligands offer intriguing possibilities in enantioselective catalysis. “NU-BIPHEPs” are a class of stereodynamic diphosphine ligands which are easily accessible via rhodium-catalyzed double [2 + 2 + 2] cycloadditions. This study explores the preparation of differently functionalized “NU-BIPHEP(O” compounds, the characterization of non-covalent adduct formation and the quantification of enantiomerization barriers. In order to explore the possibilities of functionalization, we studied modifications of the ligand backbone, e.g., with 3,5-dichlorobenzoyl chloride. Diastereomeric adducts with Okamoto-type cellulose derivatives and on-column deracemization were realized on the basis of non-covalent interactions. Enantioselective dynamic HPLC (DHPLC allowed for the determination of rotational barriers of ΔG‡298K = 92.2 ± 0.3 kJ mol−1 and 99.5 ± 0.1 kJ mol−1 underlining the stereodynamic properties of “NU-BIPHEPs” and “NU-BIPHEP(Os”, respectively. These results make the preparation of tailor-made functionalized stereodynamic ligands possible and give an outline for possible applications in enantioselective catalysis.

  9. Reducing barriers to energy efficiency in the German energy service companies sector. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Koewener, D.; Schleich, J.

    2000-12-01

    This report describes the empirical research conducted in the German energy service sector to assess to what extent energy service companies (ESCOs) can help overcome the barriers to energy in the higher education, brewing and mechanical engineering sectors. This report complements the sector for Germany within the BARRIERS project (Sorrell et al., 2000; Schleich/Boede 2000a; Schleich/Boede 2000b; Schleich et al., 2000). The report characterises the German energy service sector, contains a description and analysis of four case studies in the energy service sector, identifies the main barriers and chances for ESCOs in the higher education, brewery and mechanical engineering sectors, and concludes with brief recommendations on how these barriers may be overcome. The results of the study are summarised here under the following headings: Characterising the energy service sector in Germany; - Case studies of energy service companies in Germany; - The role of ESCOs in the case-study sectors; - Policy implications. (orig.)

  10. Closed Loop Short Rotation Woody Biomass Energy Crops

    Energy Technology Data Exchange (ETDEWEB)

    Brower, Michael [CRC Development, LLC, Oakland, CA (United States)

    2012-09-30

    CRC Development LLC is pursuing commercialization of shrub willow crops to evaluate and confirm estimates of yield, harvesting, transportation and renewable energy conversion costs and to provide a diverse resource in its supply portfolio.The goal of Closed Loop Short Rotation Woody Biomass Energy Crops is supply expansion in Central New York to facilitate the commercialization of willow biomass crops as part of the mix of woody biomass feedstocks for bioenergy and bioproducts. CRC Development LLC established the first commercial willow biomass plantation acreage in North America was established on the Tug Hill in the spring of 2006 and expanded in 2007. This was the first 230- acres toward the goal of 10,000 regional acres. This project replaces some 2007-drought damaged acreage and installs a total of 630-acre new planting acres in order to demonstrate to regional agricultural producers and rural land-owners the economic vitality of closed loop short rotation woody biomass energy crops when deployed commercially in order to motivate new grower entry into the market-place. The willow biomass will directly help stabilize the fuel supply for the Lyonsdale Biomass facility, which produces 19 MWe of power and exports 15,000 pph of process steam to Burrows Paper. This project will also provide feedstock to The Biorefinery in New York for the manufacture of renewable, CO2-neutral liquid transportation fuels, chemicals and polymers. This project helps end dependency on imported fossil fuels, adds to region economic and environmental vitality and contributes to national security through improved energy independence.

  11. Diffusion of renewable energy technologies - barriers and stakeholders' perspectives

    DEFF Research Database (Denmark)

    Reddy, S.; Painuly, Jyoti P.

    2004-01-01

    This paper presents the results of a survey administered to households, personnel belonging to industry and commercial establishments, and policy experts with the objective of eliciting their views on the barriers to the diffusion of renewable energy technologies (RETs). Taking the Maharashtra St...

  12. Energy management action plan: Developing a strategy for overcoming institutional barriers to municipal energy conservation

    Energy Technology Data Exchange (ETDEWEB)

    1992-12-31

    Energy offices working to improve efficiency of local government facilities face not only technical tasks, but institutional barriers, such as budget structures that do not reward efficiency, a low awareness of energy issues, and purchasing procedures based only on minimizing initial cost. The bureau, in working to remove such barriers in San Francisco, has identified 37 institutional barriers in areas such as operations & maintenance, purchasing, and facility design; these barriers were then reorganized into three groupings-- policy & attitudes, budget & incentives, and awareness & information-- and mapped. This map shows that the barriers mutually reinforce each other, and that a holistic approach is required for permanent change. The city`s recreation & parks department was used as a model department, and information about facility energy use was compiled into a departmental energy review. Staff interviews showed how barriers affect conservation. The bureau then generated ideas for projects to remove specific barriers and rated them according to potential impact and the resources required to implement them. Four of the six projects selected focused on maintenance staff: a cost- sharing lighting retrofit program, a boiler efficiency program, a departmental energy tracking system, and a budgetary incentive program for conservation. The other two projects are city-wide: promotion of a new term contract supplying energy-efficient light materials, and publication/distribution of ENERGY NEWS newsletter. A general methodology, the EMAP Strategy Guide, has been created to assist other energy offices in developing EMAPs.

  13. Quantum dynamics study of energy requirement on reactivity for the HBr + OH reaction with a negative-energy barrier

    Science.gov (United States)

    Wang, Yuping; Li, Yida; Wang, Dunyou

    2017-01-01

    A time-dependent, quantum reaction dynamics approach in full dimensional, six degrees of freedom was carried out to study the energy requirement on reactivity for the HBr + OH reaction with an early, negative energy barrier. The calculation shows both the HBr and OH vibrational excitations enhance the reactivity. However, even this reaction has a negative energy barrier, the calculation shows not all forms of energy are equally effective in promoting the reactivity. On the basis of equal amount of total energy, the vibrational energies of both the HBr and OH are more effective in enhancing the reactivity than the translational energy, whereas the rotational excitations of both the HBr and OH hinder the reactivity. The rate constants were also calculated for the temperature range between 5 to 500 K. The quantal rate constants have a better slope agreement with the experimental data than quasi-classical trajectory results.

  14. Sustainability and energy self-sufficiency; overcoming the barriers

    Directory of Open Access Journals (Sweden)

    Rania Abdel Galil

    2015-12-01

    Full Text Available Engendering more positive attitudes to renewable energy is by no means a simple feat. Renewable energy technologies are viewed as radical innovations which necessitate substantial changes in production and consumption patterns, hence often met with resistance from both institutions and individuals. Yet action is needed; global energy consumption is expected to rise by 41% and global carbon dioxide emissions by 29%, with most of the demand and rise coming from emerging economies (BP energy outlook 2035. Further, countries need to meet objectives of reduction of GHG under the United Nations Framework Convention on Climate Change. Renewable energy share in the global energy mix needs to significantly increase in order to reach supply sufficiency, energy security, energy equity and environmental sustainability.Meeting demands of energy is critical for the economic and social development of any country; energy must be secure, accessible and affordable at all levels of society, and any negative impact of energy production and energy use on the environment must be minimized. Middle East energy consumption is expected to grow by 69% whilst production to grow by 32%, with 97% of demand still met by fossil fuels by the end of the 2035. Energy investment of $316 billion will be required in the Middle East and North Africa (MENA between 2015 and 2019 to meet its growing demand for power (Apicorp, 2014. Diversifying energy sources is indeed of interest in the MENA region, spurred by growing demand for power and desalinated water, fluctuating fuel price, GHG emission reduction targets, depleting fossil fuel reserves and advances in renewable energy technology. However, there are many barriers that hinder the adoption of renewable energy technologies worldwide, but more so in the MENA region. These barriers are political, economic, social and technological. With a focus on Europe and MENA, it can be said that these barriers have much in common albeit framing

  15. Fisher information and steric effect: study of the internal rotation barrier of ethane.

    Science.gov (United States)

    Esquivel, Rodolfo O; Liu, Shubin; Angulo, Juan Carlos; Dehesa, Jesús S; Antolín, Juan; Molina-Espíritu, Moyocoyani

    2011-05-05

    On the basis of a density-based quantification of the steric effect [Liu, S. B. J. Chem. Phys.2007, 126, 244103], the origin of the internal rotation barrier between the eclipsed and staggered conformers of ethane is systematically investigated in this work from an information-theoretical point of view by using the Fisher information measure in conjugated spaces. Two kinds of computational approaches are considered in this work: adiabatic (with optimal structure) and vertical (with fixed geometry). The analyses are performed systematically by following, in each case, the conformeric path by changing the dihedral angle from 0 to 180° . This is calculated at the HF, MP2, B3LYP, and CCSD(T) levels of theory and with several basis sets. Selected descriptors of the densities are utilized to support the observations. Our results show that in the adiabatic case the eclipsed conformer possesses a larger steric repulsion than the staggered conformer, but in the vertical cases the staggered conformer retains a larger steric repulsion. Our results verify the plausibility for defining and computing the steric effect in the post-Hartree-Fock level of theory according to the scheme proposed by Liu.

  16. Developing effective rockfall protection barriers for low energy impacts

    Science.gov (United States)

    Mentani, Alessio; Giacomini, Anna; Buzzi, Olivier; Govoni, Laura; Gottardi, Guido; Fityus, Stephen

    2016-04-01

    Recently, important progresses have been made towards the development of high capacity rockfall barriers (100 kJ - 8000 kJ). The interest of researchers and practitioners is now turning to the development of fences of minor capacity, whose use becomes essential in areas where rockfall events generally have low intensity and the use of high capacity barriers would be accompanied by excessive costs and high environmental impact. Low energy barriers can also provide a cost-effective solution even in areas where high energies events are expected. Results of full-scale tests are vital to any investigation on the behaviour of these structures. An experimental set-up has been developed at The University of Newcastle (AUS), to investigate the response of low energy rockfall barrier prototypes to low energy impacts. The Australian territory, and in particular New South Wales, is in fact characterised by rockfall events of low-to-medium intensity (50 kJ - 500 kJ) and the need of protection structures working within such energy range, is particularly felt [1]. The experiments involved the impact of a test block onto three spans, low energy barrier prototypes, made of steel structural posts, fully fixed at the base, side cables and a steel meshwork constituted by a double twist hexagonal wire net [2]. Test data enabled the development, calibration and assessment of FE models [3], on which non-linear and dynamic analyses have been performed addressing the effect of the block size. Results have shown that the response of the structure is strongly governed by the net. Data from tests conducted on the sole net and on the entire barrier showed in fact a similar trend, different to what typically observed for high capacity barriers, whose behaviour is also led by the presence of uphill cables and brakes. In particular, the numerical analyses have demonstrated a dependence of the net performance on the block size. In particular, a loss of capacity in the order of 50% occurred as the

  17. Budgets of divergent and rotational kinetic energy during two periods of intense convection

    Science.gov (United States)

    Buechler, D. E.; Fuelberg, H. E.

    1986-01-01

    The derivations of the energy budget equations for divergent and rotational components of kinetic energy are provided. The intense convection periods studied are: (1) synoptic scale data of 3 or 6 hour intervals and (2) mesoalphascale data every 3 hours. Composite energies and averaged budgets for the periods are presented; the effects of random data errors on derived energy parameters is investigated. The divergent kinetic energy and rotational kinetic energy budgets are compared; good correlation of the data is observed. The kinetic energies and budget terms increase with convective development; however, the conversion of the divergent and rotational energies are opposite.

  18. Barriers to household investment in residential energy conservation: preliminary assessment

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, W.L.

    1982-12-01

    A general assessment of the range of barriers which impede household investments in weatherization and other energy efficiency improvements for their homes is provided. The relationship of similar factors to households' interest in receiving a free energy audits examined. Rates of return that underly household investments in major conservation improvements are assessed. A special analysis of household knowledge of economically attractive investments is provided that compares high payback improvements specified by the energy audit with the list of needed or desirable conservation improvements identified by respondents. (LEW)

  19. Rotations

    Science.gov (United States)

    John R. Jones; Wayne D. Shepperd

    1985-01-01

    The rotation, in forestry, is the planned number of years between formation of a crop or stand and its final harvest at a specified stage of maturity (Ford-Robertson 1971). The rotation used for many species is the age of culmination of mean usable volume growth [net mean annual increment (MAI)]. At that age, usable volume divided by age reaches its highest level. That...

  20. Pair transfer processes probed at deep sub barrier energies

    Directory of Open Access Journals (Sweden)

    Scarlassara F.

    2011-10-01

    Full Text Available Multinucleon transfer cross sections in the system 40Ca+96Zr have been measured at bombarding energies ranging from the Coulomb barrier to ~ 25% below. Target-like (lighter recoils in inverse kinematics have been completely identif ed in A,Z and Q-value with the large solid angle magnetic spectrometer PRISMA. The experimental slopes of the neutron transfer probabilities at large internuclear separation are consistent with the values derived from the binding energies. A phenomenological interpretation of the transfer probabilities indicates the presence of enhanced values for the even number of neutron transfers.

  1. Temperature dependence of internal motions of protein side-chain NH3(+) groups: insight into energy barriers for transient breakage of hydrogen bonds.

    Science.gov (United States)

    Zandarashvili, Levani; Iwahara, Junji

    2015-01-20

    Although charged side chains play important roles in protein function, their dynamic properties are not well understood. Nuclear magnetic resonance methods for investigating the dynamics of lysine side-chain NH3(+) groups were established recently. Using this methodology, we have studied the temperature dependence of the internal motions of the lysine side-chain NH3(+) groups that form ion pairs with DNA phosphate groups in the HoxD9 homeodomain-DNA complex. For these NH3(+) groups, we determined order parameters and correlation times for bond rotations and reorientations at 15, 22, 28, and 35 °C. The order parameters were found to be virtually constant in this temperature range. In contrast, the bond-rotation correlation times of the NH3(+) groups were found to depend strongly on temperature. On the basis of transition state theory, the energy barriers for NH3(+) rotations were analyzed and compared to those for CH3 rotations. Enthalpies of activation for NH3(+) rotations were found to be significantly higher than those for CH3 rotations, which can be attributed to the requirement of hydrogen bond breakage. However, entropies of activation substantially reduce the overall free energies of activation for NH3(+) rotations to a level comparable to those for CH3 rotations. This entropic reduction in energy barriers may accelerate molecular processes requiring hydrogen bond breakage and play a kinetically important role in protein function.

  2. Paraplegic energy expenditure during negotiation of architectural barriers.

    Science.gov (United States)

    Miller, N E; Merritt, J L; Merkel, K D; Westbrook, P R

    1984-12-01

    Long-leg braces are often used by persons with paraplegia to negotiate architectural barriers, and thereby increase their wheelchair mobility. Such barriers include ramps, stairways, and narrow corridors requiring multiple turns. This study was designed to measure the energy expenditure during such activities for two long-leg orthoses: standard braces without a dorsiflexion stop and Scott-Craig braces. Energy expenditure was measured in eight subjects by indirect spirometry using Douglas bag collection and Haldane analysis. Data obtained were used to calculate oxygen consumption per minute, volume of oxygen per turn, step, or meter, and calories per minute during each activity. Using Scott-Craig braces on one day and standard braces on another day, each subject negotiated five 90 degrees turns and two 180 degree turns, ten 15.24 cm steps, both up and down, and an 11.9 m ramp inclined 12 degrees, both up and down. Milliliters of oxygen consumed per kilogram of body weight per turn, step, or meter were recorded for Scott-Craig braces, standard braces, and normal walking. All of these activities required a high expenditure of energy. No significant difference was apparent between the standard and the Scott-Craig braces for any activity.

  3. Efficient integration of torque-free rotation by energy scaling method

    Science.gov (United States)

    Fukushima, T.

    2006-10-01

    As a first trial of the manifold correction methods applied to rotational motions, we adapted its simplest technique, the energy scaling method, to the torque-free rotational motion in terms of Serret-Andoyer variables. The key point is to keep rigorously the consistency of the kinetic energy relation by applying a scaling to L, the C-axis component of the rotational angular momentum at every integration step. As a result, the new method suppress the growth rate of the integration errors in the combined rotational angles, g + l, from quadratic to linear in time.

  4. Barriers and possibilities for low-carbon-energy consuming technologies

    DEFF Research Database (Denmark)

    Bjarklev, Araceli

    The total electricity consumption across the EU-27 showed an absolute increase of 28.7% between the years 1990 and 2005. The average electricity use per capita in the EU-27 is almost 2.5 times the global average and 3.5 times that for China. World electricity generation is expected to increase...... to target, since it uses 19% of the total electricity produced in the world. Consequently, this paper takes the Danish office lighting sector as a study object and discusses the question: What are the main barriers and possibilities for the energy saving illumination technologies to efficiently reduce...... by 77% from 2006 to 2030. These are some of the facts that set a big question mark on how the CO2 emission goals can ever been achieved for 2020 even talking of a modest reduction of 20%. These growing tendencies still take place despite the emergence of countless numbers of energy saving devises...

  5. Single-electrode-based rotating triboelectric nanogenerator for harvesting energy from tires.

    Science.gov (United States)

    Zhang, Hulin; Yang, Ya; Zhong, Xiandai; Su, Yuanjie; Zhou, Yusheng; Hu, Chenguo; Wang, Zhong Lin

    2014-01-28

    Rotational energy is abundant and widely available in our living environment. Harvesting ambient rotational energy has attracted great attention. In this work, we report a single-electrode-based rotating triboelectric nanogenerator (SR-TENG) for converting rotational energy into electric energy. The unique advantage of introducing the single-electrode TENG is to overcome the difficulty in making the connection in harvesting rotational energy such as from a moving and rotating tire/wheel. The fabricated device consists of a rotary acrylic disc with polytetrafluoroethylene (PTFE) blades and an Al electrode fixed on the base. The systematical experiments and theoretical simulations indicate that the asymmetric SR-TENGs exhibit much better output performances than those of the symmetric TENGs at the same rotation rates. The asymmetric SR-TENG with seven PTFE units at the rotation rate of 800 r/min can deliver a maximal output voltage of 55 V and a corresponding output power of 30 μW on a load of 100 MΩ, which can directly light up tens of red light-emitting diodes. The SR-TENG has been utilized to harvest mechanical energy from rotational motion of a bicycle wheel. Furthermore, we demonstrated that the SR-TENG can be applied to scavenge wind energy and as a self-powered wind speed sensor with a sensitivity of about 0.83 V/(m/s). This study further expands the operation principle of a single-electrode-based TENG and many potential applications of TENGs for scavenging ambient rotational energy and as a self-powered environment monitoring sensor.

  6. Development of a new energy-absorbing roadside/median barrier system with restorable elastomer cartridges.

    Science.gov (United States)

    2013-07-01

    A Manual for Assessing Safety Hardware (MASH) Test Level 4 (TL-4) energy-absorbing, urban roadside/median barrier was developed to reduce lateral vehicle accelerations below those observed during similar crashes into permanent concrete barriers. Seve...

  7. Energy Loss of a Heavy Particle Near 3D Rotating Hairy Black Hole

    Directory of Open Access Journals (Sweden)

    Jalil Naji

    2014-01-01

    Full Text Available We consider rotating black hole in 3 dimensions with a scalar charge and discuss energy loss of heavy particle moving near the black hole horizon. We find that drag force was increased by scalar charge while it was decreased due to the rotation of black hole. We also study quasnormal modes.

  8. Energy product options for Eucalyptus species grown as short rotation woody crops

    Science.gov (United States)

    Donald Rockwood; Alan W. Rudie; Sally A. Ralph; J.Y. Zhu; Jerrold E. Winandy

    2008-01-01

    Eucalyptus species are native to Australia but grown extensively worldwide as short rotation hardwoods for a variety of products and as ornamentals. We describe their general importance with specific emphasis on existing and emerging markets as energy products and the potential to maximize their productivity as short rotation woody crops. Using experience in Florida...

  9. The generalized block-localized wavefunction method: A case study on the conformational preference and C-O rotational barrier of formic acid

    Science.gov (United States)

    Jia, Jian-Feng; Wu, Hai-Shun; Mo, Yirong

    2012-04-01

    A Lewis structure corresponding to the most stable electron-localized state is often used as a reference for the measure of electron delocalization effect in the valence bond (VB) theory. As the simplest variant of ab initio VB theory, the generalized block-localized wavefunction (BLW) method defines the wavefunction for an electron-localized state with block-localized orbitals without the orthogonalization constraint on different blocks. The validity of the method can be critically examined with experimental evidences. Here the BLW method has been applied to the investigation of the roles of both the π conjugation and σ hyperconjugation effects in the conformational preference of formic acid for the trans (Z) conformer over the cis (E) conformer. On one hand, our computations showed that the deactivation of the π conjugation or σ hyperconjugation has little impact on the Z-E energy gap, thus neither is decisive and instead the local dipole-dipole electrostatic interaction between the carbonyl and hydroxyl groups is the key factor determining the Z-E energy gap. On the other hand, the present study supported the conventional view that π conjugation is largely responsible for the C-O rotation barrier in formic acid, though the existence of hyperconjugative interactions in the perpendicular structure lowers the barrier considerably.

  10. Encapsulated guest-host dynamics: guest rotational barriers and tumbling as a probe of host interior cavity space.

    Science.gov (United States)

    Mugridge, Jeffrey S; Szigethy, Géza; Bergman, Robert G; Raymond, Kenneth N

    2010-11-17

    The supramolecular host assembly [Ga(4)L(6)](12-) (1; L = 1,5-bis[2,3-dihydroxybenzamido]naphthalene) encapsulates cationic guest molecules within its hydrophobic cavity and catalyzes a variety of chemical transformations within its confined interior space. Despite the well-defined structure, the host ligand framework and interior cavity are very flexible and 1 can accommodate a wide range of guest shapes and sizes. These observations raise questions about the steric effects of confinement within 1 and how encapsulation fundamentally changes the motions of guest molecules. Here we examine the motional dynamics (guest bond rotation and tumbling) of encapsulated guest molecules to probe the steric consequences of encapsulation within host 1. Encapsulation is found to increase the Ph-CH(2) bond rotational barrier for ortho-substituted benzyl phosphonium guest molecules by 3 to 6 kcal/mol, and the barrier is found to depend on both guest size and shape. The tumbling dynamics of guests encapsulated in 1 were also investigated, and here it was found that longer, more prolate-shaped guest molecules tumble more slowly in the host cavity than larger but more spherical guest molecules. The prolate guests reduce the host symmetry from T to C(1) in solution at low temperatures, and the distortion of the host framework that is in part responsible for this symmetry reduction is observed directly in the solid state. Analysis of guest motional dynamics is a powerful method for interrogating host structure and fundamental host-guest interactions.

  11. Economics, energy, and environmental assessment of diversified crop rotations in sub-Himalayas of India.

    Science.gov (United States)

    Singh, Raman Jeet; Meena, Roshan Lal; Sharma, N K; Kumar, Suresh; Kumar, Kuldeep; Kumar, Dileep

    2016-02-01

    Reducing the carbon footprint and increasing energy use efficiency of crop rotations are the two most important sustainability issues of the modern agriculture. Present study was undertaken to assess economics, energy, and environmental parameters of common diversified crop rotations (maize-tomato, and maize-toria-wheat) vis-a-vis traditional crop rotations like maize-wheat, maize + ginger and rice-wheat of the north-western Himalayan region of India. Results revealed that maize-tomato and maize + ginger crop rotations being on par with each other produced significantly higher system productivity in terms of maize equivalent yield (30.2-36.2 t/ha) than other crop rotations (5.04-7.68 t/ha). But interestingly in terms of energy efficiencies, traditional maize-wheat system (energy efficiency 7.9, human energy profitability of 177.8 and energy profitability of 6.9 MJ/ha) was significantly superior over other systems. Maize + ginger rotation showed greater competitive advantage over other rotations because of less consumption of non-renewable energy resources. Similarly, maize-tomato rotation had ability of the production process to exploit natural resources due to 14-38% less use of commercial or purchased energy sources over other crop rotations. Vegetable-based crop rotations (maize + ginger and maize-tomato) maintained significantly the least carbon footprint (0.008 and 0.019 kg CO2 eq./kg grain, respectively) and the highest profitability (154,322 and 274,161 Rs./ha net return, respectively) over other crop rotations. As the greatest inputs of energy and carbon across the five crop rotations were nitrogen fertilizer (15-29% and 17-28%, respectively), diesel (14-24% and 8-19%, respectively) and irrigation (10-27% and 11-44%, respectively), therefore, alternative sources like organic farming, conservation agriculture practices, soil and water conservation measures, rain water harvesting etc. should be encouraged to reduce dependency of direct energy and external

  12. Communication: Importance of rotationally inelastic processes in low-energy Penning ionization of CHF3

    Science.gov (United States)

    Jankunas, Justin; Jachymski, Krzysztof; Hapka, Michał; Osterwalder, Andreas

    2016-06-01

    Low energy reaction dynamics can strongly depend on the internal structure of the reactants. The role of rotationally inelastic processes in cold collisions involving polyatomic molecules has not been explored so far. Here we address this problem by performing a merged-beam study of the He(3S1)+CHF3 Penning ionization reaction in a range of collision energies E/kB = 0.5-120 K. The experimental cross sections are compared with total reaction cross sections calculated within the framework of quantum defect theory. We find that the broad range of collision energies combined with the relatively small rotational constants of CHF3 makes rotationally inelastic collisions a crucial player in the total reaction dynamics. Quantitative agreement between theory and experiment is only obtained if the energy-dependent probability for rotational excitation is included in the calculations, in stark contrast to previous experiments where classical scaling laws were able to describe the results.

  13. Importance of rotationally inelastic processes in low-energy Penning ionization of CHF$_3$

    CERN Document Server

    Jankunas, Justin; Hapka, Michał; Osterwalder, Andreas

    2016-01-01

    Low energy reaction dynamics can strongly depend on the internal structure of the reactants. The role of rotationally inelastic processes in cold collisions involving polyatomic molecules has not been explored so far. Here we address this problem performing a merged-beam study of the He*+CHF$_3$ Penning ionization reaction in a range of collision energies $E/k_B$=0.5--120 K. The experimental cross sections are compared with total reaction cross sections calculated within the framework of the quantum defect theory. We find that the broad range of collision energies combined with the relatively small rotational constants of \\chfs makes rotationally inelastic collisions a crucial player in the total reaction dynamics. Quantitative agreement between theory and experiment is only obtained if the energy-dependent probability for rotational excitation is included in the calculations, in stark contrast to previous experiments where classical scaling laws were able to describe the results.

  14. Ab initio potential energy surface and vibration-rotation energy levels of sulfur dioxide.

    Science.gov (United States)

    Koput, Jacek

    2017-05-05

    An accurate potential energy surface of sulfur dioxide, SO2 , in its ground electronic state X∼ 1A1 has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent basis sets up to septuple-zeta quality. The results obtained with the conventional and explicitly correlated coupled-cluster methods are compared. The role of the core-electron correlation, higher-order valence-electron correlation, scalar relativistic, and adiabatic effects in determining the structure and dynamics of the SO2 molecule is discussed. The vibration-rotation energy levels of the 32 SO2 and 34 SO2 isotopologues were predicted using a variational approach. It was shown that the inclusion of the aforementioned effects was mandatory to attain the "spectroscopic" accuracy. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. Rotational Energy Transfer of N2 Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    A new N2-N2 rigid-rotor surface has been determined using extensive Ab Initio quantum chemistry calculations together with recent experimental data for the second virial coefficient. Rotational energy transfer is studied using the new potential energy surface (PES) employing the close coupling method below 200 cm(exp -1) and coupled state approximation above that. Comparing with a previous calculation based on the PES of van der Avoird et al.,3 it is found that the new PES generally gives larger cross sections for large (delta)J transitions, but for small (delta)J transitions the cross sections are either comparable or smaller. Correlation between the differences in the cross sections and the two PES will be attempted. The computed cross sections will also be compared with available experimental data.

  16. Ohmic energy confinement saturation and core toroidal rotation reversal in Alcator C-Mod plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Rice, J. E.; Greenwald, M. J.; Podpaly, Y. A.; Reinke, M. L.; Hughes, J. W.; Howard, N. T.; Ma, Y.; Cziegler, I.; Ennever, P. C.; Ernst, D.; Fiore, C. L.; Gao, C.; Irby, J. H.; Marmar, E. S.; Porkolab, M.; Tsujii, N.; Wolfe, S. M. [Plasma Science and Fusion Center, MIT, Cambridge, Massachusetts 02139 (United States); Diamond, P. H. [UCSD, La Jolla, California 92903 (United States); Duval, B. P. [CRPP, EPFL, Lausanne 1015 (Switzerland)

    2012-05-15

    Ohmic energy confinement saturation is found to be closely related to core toroidal rotation reversals in Alcator C-Mod tokamak plasmas. Rotation reversals occur at a critical density, depending on the plasma current and toroidal magnetic field, which coincides with the density separating the linear Ohmic confinement regime from the saturated Ohmic confinement regime. The rotation is directed co-current at low density and abruptly changes direction to counter-current when the energy confinement saturates as the density is increased. Since there is a bifurcation in the direction of the rotation at this critical density, toroidal rotation reversal is a very sensitive indicator in the determination of the regime change. The reversal and confinement saturation results can be unified, since these processes occur in a particular range of the collisionality.

  17. Energy storage in superluminal barrier tunneling: Origin of the Hartman effect.

    Science.gov (United States)

    Winful, Herbert

    2002-12-16

    We show that the anomalously short delay times observed in barrier tunneling have their origin in energy storage and its subsequent release. The observed group delay is proportional to the energy stored. This delay is not a propagation delay and should not be linked to a velocity since evanescent waves do not propagate. The "Hartman effect", in which the group delay becomes independent of thickness for opaque barriers, is shown to be a consequence of the saturation of stored energy with barrier length.

  18. Ab Initio and NMR Investigations into the Barrier to Internal Rotation ...

    African Journals Online (AJOL)

    NICO

    A range of 2-oxo-2H-chromen-7-yl dimethylcarbamates were synthesized as described in part I of this publication, containing either an oxygen or sulphur a to the carbonyl or thiocarbonyl group of the amide moiety. Variable temperature and exchange spectroscopy NMR was performed on these compounds and the barrier ...

  19. On the ρ* Scaling of Intrinsic Rotation in C-Mod Plasmas with Edge Transport Barriers

    Science.gov (United States)

    Rice, John; Hughes, Jerry; Diamond, Patrick; Cao, Norman; Chilenski, Mark; Hubbard, Amanda; Irby, James; Kosuga, Yusuke; Lin, Yijun; Reinke, Matt; Tolman, Elizabeth; Wolfe, Steve; Wukitch, Steve

    2017-10-01

    Changes in the core intrinsic toroidal rotation velocity following L- to H- and L- to I-mode transitions have been investigated in Alcator C-Mod tokamak plasmas. The magnitude of the co-current rotation increments is found to increase with the pedestal temperature gradient and q95, and to decrease with toroidal magnetic field. These results are captured quantitatively by a model of fluctuation entropy balance which gives the Mach number Mi ρ*/2 Ls/LT gradTq95/BT in an ITG turbulence dominant regime. The agreement between experiment and theory gives confidence for extrapolation to future devices in similar operational regimes. Core thermal Mach numbers of 0.07 and 0.2 are expected for ITER and ARC, respectively. DoE Contract # DE-FC02-99ER54512.

  20. Protecting High Energy Barriers: A New Equation to Regulate Boost Energy in Accelerated Molecular Dynamics Simulations.

    Science.gov (United States)

    Sinko, William; de Oliveira, César Augusto F; Pierce, Levi C T; McCammon, J Andrew

    2012-01-10

    Molecular dynamics (MD) is one of the most common tools in computational chemistry. Recently, our group has employed accelerated molecular dynamics (aMD) to improve the conformational sampling over conventional molecular dynamics techniques. In the original aMD implementation, sampling is greatly improved by raising energy wells below a predefined energy level. Recently, our group presented an alternative aMD implementation where simulations are accelerated by lowering energy barriers of the potential energy surface. When coupled with thermodynamic integration simulations, this implementation showed very promising results. However, when applied to large systems, such as proteins, the simulation tends to be biased to high energy regions of the potential landscape. The reason for this behavior lies in the boost equation used since the highest energy barriers are dramatically more affected than the lower ones. To address this issue, in this work, we present a new boost equation that prevents oversampling of unfavorable high energy conformational states. The new boost potential provides not only better recovery of statistics throughout the simulation but also enhanced sampling of statistically relevant regions in explicit solvent MD simulations.

  1. Crystalline arrays of pairs of molecular rotors: correlated motion, rotational barriers, and space-inversion symmetry breaking due to conformational mutations.

    Science.gov (United States)

    Lemouchi, Cyprien; Iliopoulos, Konstantinos; Zorina, Leokadiya; Simonov, Sergey; Wzietek, Pawel; Cauchy, Thomas; Rodríguez-Fortea, Antonio; Canadell, Enric; Kaleta, Jiří; Michl, Josef; Gindre, Denis; Chrysos, Michael; Batail, Patrick

    2013-06-26

    The rod-like molecule bis((4-(4-pyridyl)ethynyl)bicyclo[2.2.2]oct-1-yl)buta-1,3-diyne, 1, contains two 1,4-bis(ethynyl)bicyclo[2.2.2]octane (BCO) chiral rotators linked by a diyne fragment and self-assembles in a one-dimensional, monoclinic C2/c centrosymmetric structure where two equilibrium positions with large occupancy imbalance (88% versus 12%) are identified on a single rotor site. Combining variable-temperature (70-300 K) proton spin-lattice relaxation, (1)H T1(-1), at two different (1)H Larmor frequencies (55 and 210 MHz) and DFT calculations of rotational barriers, we were able to assign two types of Brownian rotators with different activation energies, 1.85 and 6.1 kcal mol(-1), to the two (1)H spin-lattice relaxation processes on the single rotor site. On the basis of DFT calculations, the low-energy process has been assigned to adjacent rotors in a well-correlated synchronous motion, whereas the high-energy process is the manifestation of an abrupt change in their kinematics once two blades of adjacent rotors are seen to rub together. Although crystals of 1 should be second harmonic inactive, a large second-order optical response is recorded when the electric field oscillates in a direction parallel to the unique rotor axle director. We conclude that conformational mutations by torsional interconversion of the three blades of the BCO units break space-inversion symmetry in sequences of mutamers in dynamic equilibrium in the crystal in domains at a mesoscopic scale comparable with the wavelength of light used. A control experiment was performed with a crystalline film of a similar tetrayne molecule, 1,4-bis(3-((trimethylsilyl)ethynyl)bicyclo[1.1.1]pent-1-yl)buta-1,3-diyne, whose bicyclopentane units can rotate but are achiral and produce no second-order optical response.

  2. Reducing barriers to energy efficiency in the German brewing sector. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Schleich, J.; Boede, U.; Ostertag, K.; Radgen, P.

    2000-12-01

    This report describes the empirical research into barriers to energy efficiency in the German brewing sector. It is one of nine such reports in the BARRIERS project. The report contains description and analysis of five case studies of energy management in German breweries. The results are analysed using the theoretical framework developed for the BARRIERS project. The report also provides brief recommendations on how these barriers to the rational use of energy (RUE) may be overcome and how energy efficiency within the brewing sector may be improved. The results of the study for the brewing sector in Germany are summarised in this executive summary under the following headings: - Characterising the brewing sector - Case studies of energy management in the German brewing sector; - Evidence of barriers in the German brewing sector; - The role of energy service companies in the brewing sector; - Policy implications. (orig.)

  3. Reducing barriers to energy efficiency in the German mechanical engineering sector. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Schleich, J.; Boede, U.

    2000-12-01

    This report describes the empirical research into barriers to energy efficiency in the German mechanical engineering (ME) sector. It is one of nine such reports in the BARRIERS project. The report contains description and analysis of four case studies of energy management in German companies in the ME sector. The results are analysed using the theoretical framework developed for the BARRIERS project. The report also provides brief recommendations on how these barriers to the rational use of energy (RUE) may be overcome and how energy efficiency within the ME sector may be improved. The results of the study for the ME sector in Germany are summarised in this executive summary under the following headings: - Characterising the mechanical engineering sector; - Case studies of energy management in the German mechanical engineering sector; - Evidence of barriers in the German mechanical engineering sector; - The role of energy service companies in the mechanical engineering sector; - Policy implications. (orig.)

  4. Reducing barriers to energy efficiency in the German mechanical engineering sector. Executive summary

    Energy Technology Data Exchange (ETDEWEB)

    Schleich, J.; Boede, U.

    2000-12-01

    This report describes the empirical research into barriers to energy efficiency in the German mechanical engineering (ME) sector. It is one of nine such reports in the BARRIERS project. The report contains description and analysis of four case studies of energy management in German companies in the ME sector. The results are analysed using the theoretical framework developed for the BARRIERS project. The report also provides brief recommendations on how these barriers to the rational use of energy (RUE) may be overcome and how energy efficiency within the ME sector may be improved. The results of the study for the ME sector in Germany are summarised in this executive summary under the following headings: - Characterising the mechanical engineering sector; - Case studies of energy management in the German mechanical engineering sector; - Evidence of barriers in the German mechanical engineering sector; - The role of energy service companies in the mechanical engineering sector; - Policy implications. (orig.)

  5. Reducing barriers to energy efficiency in the German brewing sector. Executive Summary

    Energy Technology Data Exchange (ETDEWEB)

    Schleich, J.; Boede, U.; Ostertag, K.; Radgen, P.

    2000-12-01

    This report describes the empirical research into barriers to energy efficiency in the German brewing sector. It is one of nine such reports in the BARRIERS project. The report contains description and analysis of five case studies of energy management in German breweries. The results are analysed using the theoretical framework developed for the BARRIERS project. The report also provides brief recommendations on how these barriers to the rational use of energy (RUE) may be overcome and how energy efficiency within the brewing sector may be improved. The results of the study for the brewing sector in Germany are summarised in this executive summary under the following headings: - Characterising the brewing sector; - Case studies of energy management in the German brewing sector; - Evidence of barriers in the German brewing sector; - The role of energy service companies in the brewing sector; - Policy implications. (orig.)

  6. Reducing barriers to energy efficiency in the German higher education sector. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Schleich, J.; Boede, U.

    2000-12-01

    This report describes the empirical research into barriers to energy efficiency in the German higher education (HE) sector. It is one of nine such reports in the BARRIERS project. The report contains description and analysis of six case studies of energy management in German universities. The results are analysed using the theoretical framework developed for the BARRIERS project (Sorrell et al., 2000). The report also provides brief recommendations on how these barriers to the rational use of energy (RUE) may be overcome and how energy efficiency within the sector may be improved. The results of the study for the higher education sector in Germany are summarised in this executive summary under the following headings: - Characterising the higher education sector; - Case studies of energy management in the German higher education sector; - Evidence of barriers in the German higher education sector; - The role of energy service companies in the higher education sector; - Policy implications. (orig.)

  7. Reducing barriers to energy efficiency in the German higher education sector. Executive summary

    Energy Technology Data Exchange (ETDEWEB)

    Schleich, J.; Boede, U.

    2000-12-01

    This report describes the empirical research into barriers to energy efficiency in the German higher education (HE) sector. It is one of nine such reports in the BARRIERS project. The report contains description and analysis of six case studies of energy management in German universities. The results are analysed using the theoretical framework developed for the BARRIERS project (Sorrell et al., 2000). The report also provides brief recommendations on how these barriers to the rational use of energy (RUE) may be overcome and how energy efficiency within the sector may be improved. The results of the study for the higher education sector in Germany are summarised in this executive summary under the following headings: - Characterising the higher education sector; - Case studies of energy management in the German higher education sector; - Evidence of barriers in the German higher education sector; - The role of energy service companies in the higher education sector; - Policy implications. (orig.)

  8. Technical Barriers, Gaps,and Opportunities Related to Home Energy Upgrade Market Delivery

    Energy Technology Data Exchange (ETDEWEB)

    Bianchi, Marcus V.A. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2011-11-01

    This report outlines the technical barriers, gaps, and opportunities that arise in executing home energy upgrade market delivery approaches, as identified through research conducted by the U.S. Department of Energy's Building America program.

  9. Why the complete fusion of weakly bond nuclei is enhanced at sub-barrier energies and suppressed above the barrier?

    Energy Technology Data Exchange (ETDEWEB)

    Lubian, J.; Gomes, P.R.S. [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil); Canto, L.F. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil); Hussein, M.S. [Universidade de Sao Paulo (USP), SP (Brazil)

    2012-07-01

    Full text: In the last two decades one has asked whether the complete fusion of weakly bound systems is enhanced or suppressed when compared with the situation where there is no break process. Recent systematic results [1] based on the reduction of cross section and the comparison to the Universal Fusion Function have shown that the complete fusion cross section is indeed enhanced at sub-barrier energies and suppressed at energies above the barrier, when compared with calculations which do not take into account the couplings to breakup channels. In this contribution we discuss and propose a method to explain this conclusion. We point out the importance of direct transfer and breakup processes and also the recently observed sequential breakup that follows the transfer. Different behaviors of the dynamic polarization potentials at different energy regions are used to explain the observed fusion excitation functions for several weakly bound systems. While the breakup polarization is the main reaction channel at above the Coulomb barrier energy regime, leading to repulsive polarization, the sequential breakup (transfer followed by breakup) seems to be the main reaction mechanism at below barrier energies. This last mechanism produces attractive polarization and for this reason it enhances the complete fusion cross section. [1] L.F. Canto et al., Nucl. Phys. A 821, 51 (2009); J. of Phys. G 36, 015109 (2009). (author)

  10. Rotational energy transfer of the A{sup 2}{Sigma}`({nu}`=1) state of OH

    Energy Technology Data Exchange (ETDEWEB)

    Beaud, P.; Radi, P.; Frey, H.B.; Mischler, B.; Tzannis, A.P.; Gerber, T. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Spectrally and temporally resolved laser excited fluorescence of OH is investigated in the picosecond time domain. The total rotational energy transfer (RET) rate from the excited state is determined from the experimental data. Simulated spectra obtained by modelling RET with the energy corrected sudden approximation agree well with the measured spectra. (author) 1 fig., 1 tab., 5 refs.

  11. Key Barriers to the Implementation of Solar Energy in Nigeria: A Critical Analysis

    Science.gov (United States)

    Abdullahi, D.; Suresh, S.; Renukappa, S.; Oloke, D.

    2017-08-01

    Nigeria, potentially, has abundant sunshine throughout the year, making it full thirst for solar energy generation. Even though, the country’s solar energy projects have not realised a fair result over the years, due to many barriers associated with initiatives implementation. Therefore, the entire power sector remains incapacitated to generate, transmit and distribute a clean, affordable and sustainable energy to assist economic growth. The research integrated five African counterpart’s solar energy initiatives, barriers, policies and strategies adopted as a lesson learned to Nigeria. Inadequate solar initiative’s research, lack of technological know-how, short-term policies, lack of awareness and political instability are the major barriers that made the implementation of solar initiatives almost impossible in Nigeria. The shock of the barriers therefore, constitutes a major negative contribution to the crippling of the power sector in the state. Future research will concentrate on initiatives for mitigating solar and other renewable energy barriers.

  12. A novel approach for barriers to industrial energy efficiency

    NARCIS (Netherlands)

    Cagno, E.; Worrell, E.|info:eu-repo/dai/nl/106856715; Trianni, A.; Pugliese, G.

    2013-01-01

    A critical review of the literature highlighted the need for a new taxonomy encompassing the most relevant barriers stemmed from previous studies, and accounting for interactions and independences of the barriers to avoid overlaps and implicit interactions. Based on an extensive literature review

  13. A piezoelectric energy harvester for broadband rotational excitation using buckled beam

    Directory of Open Access Journals (Sweden)

    Zhengqiu Xie

    2018-01-01

    Full Text Available This paper proposes a rotational energy harvester using a piezoelectric bistable buckled beam to harvest low-speed rotational energy. The proposed harvester consists of a piezoelectric buckled beam with a center magnet, and a rotary magnet pair with opposite magnetic poles mounted on a revolving host. The magnetic plucking is used to harvest the angular kinetic energy of the host. The nonlinear snap-through mechanism is utilized to improve the vibration displacement and output voltage of the piezoelectric layer over a wide rotation frequency range. Theoretical simulation and experimental results show that the proposed energy harvester can yield a stable average output power ranging between 6.91-48.01 μW over a rotation frequency range of 1-14 Hz across a resistance load of 110 kΩ. Furthermore, dual attraction magnets were employed to overcome the suppression phenomenon at higher frequencies, which yields a broadband and flat frequency response over 6-14 Hz with the output power reaching 42.19-65.44 μW, demonstrating the great potential of the bistable buckled beam for wideband rotation motion energy harvesting.

  14. Experimental and theoretical investigations of rotational energy transfer in HBr + He collisions.

    Science.gov (United States)

    Kabir, Md Humayun; Antonov, Ivan O; Merritt, Jeremy M; Heaven, Michael C

    2010-10-28

    Rotational relaxation rates for HBr(v = 1) colliding with helium atoms at room temperature have been measured using a time-resolved optical-optical double resonance technique. Rotational state selective excitation of v = 1 for rotational levels in the range J = 1-9 was achieved by stimulated Raman pumping. The population decay in the prepared states and the transfer of population to nearby rotational states was monitored via 2 + 1 resonance-enhanced multiphoton ionization (REMPI) spectroscopy using the g(3)Σ(-)-X(1)Σ(+) (0-1) band. Collision-induced population evolution for transfer events with |ΔJ| ≤ 8 was observed at pressures near 0.7 Torr. The experimental data were analyzed using fitting and scaling functions to generate state-to-state rotational energy transfer rate constant matrices. Total depopulation rate constants were found to be in the range (1.3 to 2.0) × 10(-10) cm(3) s(-1). As a test of current computational methods, state-to-state rotational energy transfer rate constants were calculated using ab initio theory. The total removal rate constants were in good agreement with the measured values, but the transfer probabilities for events with |ΔJ| ≥ 3 were underestimated. Inspection of the anisotropic characteristics of the potential energy surface did not yield an obvious explanation for the discrepancies, but it is most likely that the problem stems from inaccuracies in the potential surface.

  15. Rotational barriers in ammonium hexachlorometallates as studied by NMR, tunneling spectroscopy and ab initio calculations

    DEFF Research Database (Denmark)

    Birczynski, A.; Lalowicz, Z.T.; Lodziana, Zbigniew

    2004-01-01

    potential barrier. It was also observed that TF correlates directly with the lattice constant of a particular compound. This correlation is explained by density-functional theory (DFT). The size of the unit cell is governed by the nature of metal-chlorine interaction, with respect to which the studied......Ammonium hexachlorometallates, (NH4)(2)MCl6 With M = Pd, Pt, Ir, Os, Re, Se, Sn, Te and Pb, comprise a set of compounds with systematically changing properties. The compounds may be ordered according to decreasing tunnelling frequency (TF) of ammonium ions, which is related to the increasing...... compounds can be divided into two subgroups. The group containing d-metals (Pd, Pt, Ir, Os, Re) has stronger covalent M-Cl bond and smaller unit cell. The second category contains p-elements (Se, Sn, Te, Pb), which exhibit larger ionic charges and the larger unit cell. The differences in the electronic...

  16. Magnetostrictive Vibration Damper and Energy Harvester for Rotating Machinery

    Science.gov (United States)

    Deng, Zhangxian; Asnani, Vivake M.; Dapino, Marcelo J.

    2015-01-01

    Vibrations generated by machine driveline components can cause excessive noise and structural damage. Magnetostrictive materials, including Galfenol (iron-gallium alloys) and Terfenol-D (terbium-iron-dysprosium alloys), are able to convert mechanical energy to magnetic energy. A magnetostrictive vibration ring is proposed, which generates electrical energy and dampens vibration, when installed in a machine driveline. A 2D axisymmetric finite element (FE) model incorporating magnetic, mechanical, and electrical dynamics is constructed in COMSOL Multiphysics. Based on the model, a parametric study considering magnetostrictive material geometry, pickup coil size, bias magnet strength, flux path design, and electrical load is conducted to maximize loss factor and average electrical output power. By connecting various resistive loads to the pickup coil, the maximum loss factors for Galfenol and Terfenol-D due to electrical energy loss are identified as 0.14 and 0.34, respectively. The maximum average electrical output power for Galfenol and Terfenol-D is 0.21 W and 0.58 W, respectively. The loss factors for Galfenol and Terfenol-D are increased to 0.59 and 1.83, respectively, by using an L-C resonant circuit.

  17. Broadband vibration energy harvesting by application of stochastic resonance from rotational environments

    Science.gov (United States)

    Zhang, Y.; Zheng, R.; Kaizuka, T.; Su, D.; Nakano, K.; Cartmell, M. P.

    2015-11-01

    A model for energy harvesting from a rotating automotive tyre is suggested in which the principle of stochastic resonance is advantageously exploited. A bistable response characteristic is obtained by recourse a small harvester comprising a magnetically repellant configuration in which an instrumented cantilever beam can flip between two physical response states when suitably excited by the rotation of a car wheel into which it is fitted. The rotation of the wheel creates a periodic modulation which enables stochastic resonance to take place and as a consequence of this for energy to be harvested from road noise transmitted through the tyre. An optimised mathematical model of the system is presented based on a series of experimental tests and it is shown that a ten-fold increase in harvested energy over a comparable monostable case is feasible. The suggested application for this harvester is to provide electrical power for a tyre pressure monitoring system.

  18. Design, modeling and experimental investigation of a magnetically coupled flextensional rotation energy harvester

    Science.gov (United States)

    Zou, Hong-Xiang; Zhang, Wen-Ming; Li, Wen-Bo; Gao, Qiu-Hua; Wei, Ke-Xiang; Peng, Zhi-Ke; Meng, Guang

    2017-11-01

    Energy can be harvested from rotational motion for powering wireless autonomous electronic devices. In this paper, a novel magnetically coupled flextensional rotation energy harvester (MF-REH) is designed, with the advantages of high equivalent piezoelectric constant and high reliability. The coupled dynamical model is developed to describe the electromechanical transition. Effects of design parameters on rotation energy harvesting are analyzed. Simulations and experiments are carried out to evaluate the performances of the harvesters with various configurations under different rotating speeds. The experimental results verify that the developed mathematical model can be used to accurately characterize the MF-REHs with various configurations, in different conditions under various excitation. The experimental results indicate more excitation magnets and smaller excitation distance can significantly increase the harvested energy. For the harvester with one magnetically coupled flextensional transducer and two rotating magnets which produce repulsive forces, the maximum instantaneous power is 3.1 mW and the average power is 0.22 mW at 1000 rpm.

  19. Determination of the Rotational Barrier for Kinetically Stable Conformational Isomers via NMR and 2D TLC: An Introductory Organic Chemistry Experiment

    Science.gov (United States)

    Rushton, Gregory T.; Burns, William G.; Lavin, Judi M.; Chong, Yong S.; Pellechia, Perry; Shimizu, Ken D.

    2007-01-01

    An experiment to determine the rotational barrier about a C[subscript aryl]-N[subscript imide] single bond that is suitable for first-semester organic chemistry students is presented. The investigation begins with the one-step synthesis of a N,N'-diaryl naphthalene diimide, which exists as two room temperature-stable atropisomers (syn and anti).…

  20. Structure of molecules and internal rotation

    CERN Document Server

    Mizushima, San-Ichiro

    1954-01-01

    Structure of Molecules and Internal Rotation reviews early studies on dihalogenoethanes. This book is organized into two parts encompassing 8 chapters that evaluate the Raman effect in ethane derivatives, the energy difference between rotational isomers, and the infrared absorption of ethane derivatives. Some of the topics covered in the book are the potential barrier to internal rotation; nature of the hindering potential; entropy difference between the rotational isomers; internal rotation in butane, pentane, and hexane; and internal rotation in long chain n-paraffins. Other chapters deal wi

  1. [Lifting-thrusting and rotating manipulations: a comparison on energy input].

    Science.gov (United States)

    Wang, Xi-ming

    2011-01-01

    Through the energy input model of lifting-thrusting and rotating manipulations, using the theory of energy density, energy flux density and sound intensity level in physics, the average energy flux intensity and frequency distributions of average poynting's vector were calculated respectively within the range of infrasound. According to the distribution table, it was discovered that both of the energy flux density and sound intensity level during the process of acupuncture were high. And it was concluded that the essence of meridians was probably fascial tissues which were rich in elastic fibers and collagenous fibers. The heat-producing needling with reinforcing effect (setting the moutain on fire) which focused on forceful thrusting was held to be the result of the action of same position solitary wave. And the coolness-producing needling with reducing effect (thorough heavenly cool) emphasized on the manipulation of forceful lifting was considered as the action of opposite position solitary wave. The energy input of lifting-thrusting manipulation is comparatively larger than the rotating method, however without significant difference. The speed of manipulations applied is regarded to have greater impact on energy transmission. And the energy produced by rotating manipulation can be better transmitted through meridians.

  2. Non-resonant energy harvester with elastic constraints for low rotating frequencies

    Science.gov (United States)

    Machado, Sebastián P.; Febbo, Mariano; Gatti, Claudio D.; Ramirez, José M.

    2017-11-01

    This paper presents a non-resonant piezoelectric energy harvester (PEH) which is designed to capture energy from low frequency rotational vibration. The proposed device works out of the plane of rotation where the motion of a mass-spring system is transferred to a piezoelectric layer with the intention to generate energy to power wireless structural monitoring systems or sensors. The mechanical structure is formed by two beams with rigid and elastic boundary conditions at the clamped end. On the free boundaries, heavy masses connected by a spring are placed in order to increase voltage generation and diminish the natural frequency. A mathematical framework and the equations governing the energy-harvesting system are presented. Numerical simulations and experimental verifications are performed for different rotation speeds ranging from 0.7 to 2.5 Hz. An output power of 125 μW is obtained for maximum rotating frequency demonstrating that the proposed design can collect enough energy for the suggested application.

  3. On the economic analysis of problems in energy efficiency: Market barriers, market failures, and policy implications

    Energy Technology Data Exchange (ETDEWEB)

    Sanstad, A.H.; Koomey, J.G.; Levine, M.D.

    1993-01-01

    In his recent paper in The Energy Journal, Ronald Sutherland argues that several so-called market barriers'' to energy efficiency frequently cited in the literature are not market failures in the conventional sense and are thus irrelevant for energy policy. We argue that Sutherland has inadequately analyzed the idea of market barrier and misrepresented the policy implications of microeconomics. We find that economic theory, correctly interpreted, does not provide for the categorical dismissal of market barriers. We explore important methodological issues underlying the debate over market barriers, and discuss the importance of reconciling the findings of non-economic social sciences with the economic analysis of energy demand and consumer decision-making. We also scrutinize Sutherland's attempt to apply finance theory to rationalize high implicit discount rates observed in energy-related choices, and find this use of finance theory to be inappropriate.

  4. On the economic analysis of problems in energy efficiency: Market barriers, market failures, and policy implications

    Energy Technology Data Exchange (ETDEWEB)

    Sanstad, A.H.; Koomey, J.G.; Levine, M.D.

    1993-01-01

    In his recent paper in The Energy Journal, Ronald Sutherland argues that several so-called ``market barriers`` to energy efficiency frequently cited in the literature are not market failures in the conventional sense and are thus irrelevant for energy policy. We argue that Sutherland has inadequately analyzed the idea of market barrier and misrepresented the policy implications of microeconomics. We find that economic theory, correctly interpreted, does not provide for the categorical dismissal of market barriers. We explore important methodological issues underlying the debate over market barriers, and discuss the importance of reconciling the findings of non-economic social sciences with the economic analysis of energy demand and consumer decision-making. We also scrutinize Sutherland`s attempt to apply finance theory to rationalize high implicit discount rates observed in energy-related choices, and find this use of finance theory to be inappropriate.

  5. Transition States and the Energy Barrier to Magnetization Reversal of Thin Film Nanomagnets with Perpendicular Anisotropy

    Science.gov (United States)

    Chaves-O'Flynn, Gabriel; Bedau, Daniel; vanden-Eijnden, Eric; Stein, Daniel; Kent, Andrew

    2010-03-01

    We use the String Method [1] in conjunction with the micromagnetics OOMMF package to calculate the energy barrier for magnetization reversal of square thin film nanomagnets with perpendicular anisotropy. The lowest energy state consists of out of plane magnetization configurations. A field applied perpendicular to the plane lifts the degeneracy between the states. The effect of the element size and the consequences of breaking the square symmetry are investigated. We find that the transition state is not uniform: it starts with a localized nucleation, which expands to complete the reversal. The field dependence of the energy barrier is compared to that of macrospin model, and nonuniform reversal is shown to be the preferred transition configuration, providing a lower energy barrier to reversal. This result indicates the limits of the macrospin model. We present the dependence on the energy barrier on the exchange constant and simulation cell size. [1] W. E, W. Ren, E. Vanden-Eijnden, J. Chem. Phys. 126, 164103 (2007)

  6. Scaling-up energy conservation initiatives : Barriers and local strategies

    NARCIS (Netherlands)

    van Doren, D.; Giezen, M.; Driessen, P. P J; Runhaar, H. A C

    2016-01-01

    Energy conservation in residential and commercial buildings is considered a key challenge and opportunity for low-carbon urban development. In cities worldwide, energy conservation initiatives have been realized that demonstrate the social, financial, and environmental benefits that energy

  7. Energy deposition characteristics of nanosecond dielectric barrier discharge plasma actuators : Influence of dielectric material

    NARCIS (Netherlands)

    Correale, G.; Winkel, R.; Kotsonis, M.

    2015-01-01

    An experimental study aimed at the characterization of energy deposition of nanosecond Dielectric Barrier Discharge (ns-DBD) plasma actuators was carried out. Special attention was given on the effect of the thickness and material used for dielectric barrier. The selected materials for this study

  8. Sustained turbulence and magnetic energy in non-rotating shear flows

    DEFF Research Database (Denmark)

    Nauman, Farrukh; Blackman, Eric G.

    2017-01-01

    From numerical simulations, we show that non-rotating magnetohydrodynamic shear flows are unstable to finite amplitude velocity perturbations and become turbulent, leading to the growth and sustenance of magnetic energy, including large scale fields. This supports the concept that sustained magne...

  9. Performance and sustainability of short-rotation energy crops treated with municipal and industrial residues

    OpenAIRE

    Dimitriou, Ioannis

    2005-01-01

    The sustainability of short-rotation willow coppice (SRWC) as a multifunctional system for phytoremediation—the use of plants for treatment of contaminated air, soil or water—and for producing energy biomass, was studied. SRWC is grown commercially in Sweden to produce energy biomass, nutrient-rich residues being applied as cost-efficient fertiliser to increase production. The principal residues used are municipal wastewater, landfill leachate, industrial wastewater (e.g. log-yard runoff), se...

  10. Addressing and overcoming barriers for energy savings in business

    DEFF Research Database (Denmark)

    Dirckinck-Holmfeld, Kasper

    of the local authorities, evaluating the specific concept applied, highlighting the specific barriers and constraints encountered during the project so far, as well as how the local authorities can help the companies overcome these. With this paper, the author intent to provide some inspiration for other local...

  11. Barriers to renewable energy penetration. A framework for analysis

    DEFF Research Database (Denmark)

    Painuly, Jyoti P.

    2001-01-01

    Renewable energy has the potential to play an important role in providing energy with sustainability to the vast populations in developing countries who as yet have no access to clean energy. Although economically viable fur several applications, renewable energy has not been able to realise its ...

  12. Reaction Pathway and Free Energy Barrier for Urea Elimination in Aqueous Solution.

    Science.gov (United States)

    Yao, Min; Chen, Xi; Zhan, Chang-Guo

    2015-04-01

    To accurately predict the free energy barrier for urea elimination in aqueous solution, we examined the reaction coordinates for the direct and water-assisted elimination pathways, and evaluated the corresponding free energy barriers by using the surface and volume polarization for electrostatics (SVPE) model-based first-principles electronic-structure calculations. Based on the computational results, the water-assisted elimination pathway is dominant for urea elimination in aqueous solution, and the corresponding free energy barrier is 25.3 kcal/mol. The free energy barrier of 25.3 kcal/mol predicted for the dominant reaction pathway of urea elimination in aqueous solution is in good agreement with available experimental kinetic data.

  13. Summary of Gaps and Barriers for Implementing Residential Building Energy Efficiency Strategies

    Energy Technology Data Exchange (ETDEWEB)

    2010-08-01

    This report presents the key gaps and barriers to implementing residential energy efficiency strategies in the U.S. market, as identified in sessions at the U.S. Department of Energy's Building America 2010 Residential Energy Efficiency Meeting held in Denver, Colorado, on July 20-22, 2010.

  14. Energy Choices. Efficient Energy Use - possibilities and barriers; Vaegval Energi. Energieffektivisering - moejligheter och hinder

    Energy Technology Data Exchange (ETDEWEB)

    Jagemar, Lennart (CIT Energy Management AB, Goeteborg (Sweden)); Pettersson, Bertil (Chalmers EnergiCentrum, CEC, Chalmers Univ. of Technology, Goeteborg (Sweden))

    2009-02-15

    Sweden's total energy supply in 2006 amounted to a total of 624 TWh and was dominated by crude oil, nuclear fuels, biofuels and hydropower. Different types of losses in the system accounts for one third of the energy. The final energy consumption, i.e. delivery minus losses, was divided in the following way: industry 157 TWh, the habitat of 145 TWh (of which 19 TWh relates to Agriculture, Forestry, Fishery and other service and secondary homes) and transport of 101 TWh. For the transport sector, studies show that combinations of various efficiency measures ideally can achieve an reduction in energy use by between 60 and 75 percent. The Governmental Energy Efficiency Inquiry (EnEff - 2008) estimated that the domestic transport techno-economic efficiency potential up to 2016 is 13 TWh (mainly fuel) of the total delivered energy is 87 TWh under EnEff. The potential about 5 TWh is expected to be completed by current instruments. The study assesses that despite the increased need for transport in 2016 the sector's energy use can remain at the same level or even be reduced. Buildings have a large technical and economic energy efficiency potential. According to EnEff's assessment, the streamlining potential is 33 TWh of which 8 TWh can implemented in 2016 with today's instruments. This compares with the total delivered energy is 151 TWh under EnEff. The total energy efficiency potential for buildings by 2020 is considered to be substantially higher, about 41 TWh, and affect the use of district heating, fuel and electricity. New powerful tools must be implemented for the building sector in order to realize the potential energy efficiency measures. Industry's total energy potential is assessed to be around 13 TWh by 2016. Industry's total energy use is 155 TWh according to EnEff. Only 2 TWh can realistically be saved up to 2016 taking into account a reasonable acceptance factor. The beneficiaries of the carbon emissions trade account for about

  15. Rotation reversal bifurcation and energy confinement saturation in tokamak Ohmic L-mode plasmas.

    Science.gov (United States)

    Rice, J E; Cziegler, I; Diamond, P H; Duval, B P; Podpaly, Y A; Reinke, M L; Ennever, P C; Greenwald, M J; Hughes, J W; Ma, Y; Marmar, E S; Porkolab, M; Tsujii, N; Wolfe, S M

    2011-12-23

    Direction reversals of intrinsic toroidal rotation have been observed in diverted Alcator C-Mod Ohmic L-mode plasmas following electron density ramps. For low density discharges, the core rotation is directed cocurrent, and reverses to countercurrent following an increase in the density above a certain threshold. Such reversals occur together with a decrease in density fluctuations with 2 cm(-1)≤k(θ)≤11 cm(-1) and frequencies above 70 kHz. There is a strong correlation between the reversal density and the density at which the Ohmic L-mode energy confinement changes from the linear to the saturated regime.

  16. Design and Experimental Characterization of a Vibration Energy Harvesting Device for Rotational Systems

    Directory of Open Access Journals (Sweden)

    Lutao Yan

    2013-01-01

    Full Text Available This paper presents a new vibration based electromagnetic power generator to transfer energy from stationary to rotating equipment, which can be a new attempt to substitute slip ring in rotational systems. The natural frequencies and modes are simulated in order to have a maximum and steady power output from the device. Parameters such as piezoelectric disk location and relative motion direction of the magnet are theoretically and experimentally analyzed. The results show that the position that is close to the fixed end of the cantilever and the relative motion along the long side gives higher power output. Moreover, the capability of the energy harvester to extract power from lower energy environment is experimentally validated. The voltage and power output are measured at different excitation frequencies.

  17. Molecular structure, vinyl rotation barrier, and vibrational dynamics of 2,6-dichlorostyrene. A theoretical and experimental research.

    Science.gov (United States)

    Ceacero-Vega, Antonio A; Ruiz, Tomas Peña; Gómez, Manuel Fernández; Roldán, José M Granadino; Navarro, Amparo; Fernández-Liencres, M Paz; Jayasooriya, Upali A

    2007-07-19

    The molecular structure of 2,6-dichlorostyrene has been analyzed at MP2 and DFT levels using different basis sets concluding in a nonplanar geometry. The influence of either the level of theory or the nature of the substituent has been assessed. The vinyl-phenyl torsion barrier has also been investigated as a function of level of theory. The ultimate factors responsible for the torsion barrier have been studied using two different partitioning schemes, i.e., the total electronic potential energy and the natural bond orbital, NBO. A topological analysis of the electron density within the atom-in-molecule, AIM, theory predicts soft intramolecular chlorine (ring)-hydrogen (vinyl) contacts when the system becomes planar. A first complete vibrational study has been performed using theoretical data and experimental vibrational frequencies from IR, Raman and, for the first time, inelastic neutron scattering, INS, spectra. The new assignment proposed is based on a scaled quantum mechanical, SQM, force field and the wavenumber linear scaling, WLS, approach.

  18. Do inertial wave interactions control the rate of energy dissipation of rotating turbulence?

    Science.gov (United States)

    Cortet, Pierre-Philippe; Campagne, Antoine; Machicoane, Nathanael; Gallet, Basile; Moisy, Frederic

    2015-11-01

    The scaling law of the energy dissipation rate, ɛ ~U3 / L (with U and L the characteristic velocity and lengthscale), is one of the most robust features of fully developed turbulence. How this scaling is affected by a background rotation is still a controversial issue with importance for geo and astrophysical flows. At asymptotically small Rossby numbers Ro = U / ΩL , i.e. in the weakly nonlinear limit, wave-turbulence arguments suggest that ɛ should be reduced by a factor Ro . Such scaling has however never been evidenced directly, neither experimentally nor numerically. We report here direct measurements of the injected power, and therefore of ɛ, in an experiment where a propeller is rotating at a constant rate in a large volume of fluid rotating at Ω. In co-rotation, we find a transition between the wave-turbulence scaling at small Ro and the classical Kolmogorov law at large Ro . The transition between these two regimes is characterized from experiments varying the propeller and tank dimensions. In counter-rotation, the scenario is much richer with the observation of an additional peak of dissipation, similar to the one found in Taylor-Couette experiments.

  19. The Taylor-Proudman column in a rapidly-rotating compressible fluid I. energy transports

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jun Sang [Halla University, Wonju (Korea, Republic of)

    2014-10-15

    A theoretical study is made of the steady flow of a compressible fluid in a rapidly rotating finite cylinder. Flow is generated by imposing mechanical and/or thermal disturbances at the rotating endwall disks. Both the Ekman and Rossby numbers are small. An examination is made of the energy budget for a control volume in the Ekman boundary layer. A combination of physical variables, which is termed the energy flux content, consisting of temperature and modified angular momentum, emerges to be relevant. The distinguishing features of a compressible fluid, in contrast to those of an incompressible fluid, are noted. A plausible argument is given to explain the difficulty in achieving the Taylor-Proudman column in a compressible rotating fluid. For the Taylor-Proudman column to be sustained, in the interior, it is shown that the net energy transport between the solid disk wall and the interior fluid should vanish. Physical rationalizations are facilitated by resorting to the concept of the afore-stated energy flux content.

  20. Energy-efficient treatment of organic wastewater streams using a rotatable bioelectrochemical contactor (RBEC).

    Science.gov (United States)

    Cheng, Ka Yu; Ho, Goen; Cord-Ruwisch, Ralf

    2012-12-01

    A membraneless bioelectrochemical system - rotatable bio-electrochemical contactor (RBEC) consists of an array of rotatable electrode disks was developed to convert the chemical energy from wastewater organics (acetate) directly into electricity. Each rotatable electrode disk had an upper-air exposing and a lower-water submerging halves. Intermittent rotation (180°) enabled each halve to alternately serve as anode and cathode. Removal of chemical oxygen demand (COD) was increased by 15% (from 0.79 to 0.91 kg COD m(-3) d(-1)) by allowing electron flow from the lower to the upper disk halves. Coupling with a potentiostat could alleviate cathodic limitation and increased COD removal to 1.32 kg COD m(-3) day(-1) (HRT 5h). About 40% of the COD removed was via current, indicating that the biofilm could use the lower half disk as electron acceptor. The RBEC removed COD more energy-efficiently than conventional activated sludge processes as active aeration is not required (0.47 vs. 0.7-2.0 kW h kg COD(-1)). Copyright © 2011 Elsevier Ltd. All rights reserved.

  1. Implementation of renewable energy technologies - Opportunities and barriers. Ghana country study

    Energy Technology Data Exchange (ETDEWEB)

    Edjekumhene, I.; Atakora, S.B.; Atta-Konadu, R.; Brew-Hammond, A. [Kumasi Inst. og Technology and Environment (Ghana)

    2001-07-01

    This report presents the experience of Ghana in the development, utilisation and promotion of Renewable Energy Technologies (RETs). The report gives a general overview of the state of RETs, describes past/existing institutional, regulatory and policy framework, identifies key barriers to and opportunities for RETs, and recommends directional changes needed to remove barriers and promote wide-scale adoption of RETs in Ghana. A total of eight RETs - biomass-fired dryers, sawdust stoves, sawdust briquette, biogas, solar crop dryer, solar water heater, solar water pump and small hydro power - are covered in the report. Analyses of barriers to the eight RETs are carried out using a framework approach that categorises barriers into socio-technical, economic and crosscutting barriers. Financial analyses, as opposed to economic analyses, have been carried out for all the selected RETs. The report also incorporates stake holders' perspectives and views on barriers and how they can be removed. Ghana is endowed with several renewable energy resources like solar radiation, small hydro, biomass, and wind. Exploitation of Ghana's renewable energy resources has been carried out under two main policy regimes - PND Law 62 (1983) and the Energy Sector Development Programme (ESDP). Several measures and instruments have been employed in the implementation of renewable energy policies. The main measures used are research and development, information and eduction, and some normative measures (like the passing of PNDC Law 62 and the Energy Commission Law). Some economic instruments, such as subsidies, taxes, pricing, financing and duty waiver/reduction, have been used as well but only to a limited extent. The effective development, implementation and dissemination of all the RETs studied are hampered by several barriers, which can be grouped into three main categories - Socio-technical barriers, economic barriers and crosscutting barriers. Socio-technical barriers refer to

  2. Internationalization as a strategy to overcome industry barriers-An assessment of the marine energy industry

    Energy Technology Data Exchange (ETDEWEB)

    Lovdal, Nicolai, E-mail: nicolai.lovdal@iot.ntnu.n [Industrial Economics and Technology Management, Norwegian University of Science and Technology, 7491 Trondheim (Norway); Neumann, Frank, E-mail: frank@wave-energy-centre.or [Wave Energy Centre, Av. Manuel Maia, 36, r/c Dto., 1000-201 Lisboa (Portugal)

    2011-03-15

    Research on conditions to develop new innovations within emerging renewable energy industries is often done with a national focus. However, recent research on international entrepreneurship has revealed that firms operate on international levels very early in their life time. Thus, based on former research on international entrepreneurship and case examples, we build the propositions that firms in the marine energy industry use internationalization as a strategy to overcome industry barriers. Our primary source of data is a unique dataset from a global survey of all the companies in the marine energy industry who are aiming to commercialize a wave or tidal energy device. This paper is organized in two steps: first we identified the most challenging industry barriers perceived by companies. Second we use these to form propositions which we assess through empirical data. The two most challenging barriers perceived by the companies are need for capital and need for supportive political schemes. Our findings reveal that internationalization certainly is a common strategy to access capital and attractive support schemes in foreign countries. The early internationalization has implications for researchers, managers and policy makers. - Research highlights: {yields} Industry barriers identified as access to capital and supportive political schemes. {yields} International entrepreneurship is used to overcome industry barriers. {yields} Start-ups in emerging energy industries 'shop' national support schemes. {yields} Future research to provide policy advice should adapt to the international reality. {yields} Research based on a worldwide survey of wave and tidal energy device developers.

  3. Free energy and hidden barriers of the β-sheet structure of prion protein.

    Science.gov (United States)

    Paz, S Alexis; Abrams, Cameron F

    2015-10-13

    On-the-fly free-energy parametrization is a new collective variable biasing approach akin to metadynamics with one important distinction: rather than acquiring an accelerated distribution via a history-dependent bias potential, sampling on this distribution is achieved from the beginning of the simulation using temperature-accelerated molecular dynamics. In the present work, we compare the performance of both approaches to compute the free-energy profile along a scalar collective variable measuring the H-bond registry of the β-sheet structure of the mouse Prion protein. Both methods agree on the location of the free-energy minimum, but free-energy profiles from well-tempered metadynamics are subject to a much higher degree of statistical noise due to hidden barriers. The sensitivity of metadynamics to hidden barriers is shown to be a consequence of the history dependence of the bias potential, and we detail the nature of these barriers for the prion β-sheet. In contrast, on-the-fly parametrization is much less sensitive to these barriers and thus displays improved convergence behavior relative to that of metadynamics. While hidden barriers are a frequent and central issue in free-energy methods, on-the-fly free-energy parametrization appears to be a robust and preferable method to confront this issue.

  4. Sign preference in ion-induced nucleation: contributions to the free energy barrier.

    Science.gov (United States)

    Keasler, Samuel J; Kim, Hyunmi; Chen, Bin

    2012-11-07

    We have performed a series of computer simulations using the AVUS-HR approach to better understand the origin of the sign preference in ion-induced nucleation. In particular, we emphasize the importance of distinguishing between the total formation free energy of a cluster, and the nucleation free energy, which involves only those steps contributing to the free energy barrier. We have separately considered how the ion-water potential energy, the water-water potential energy, and the entropy contribute to both the cluster formation free energy, and the nucleation free energy. These simulations have shown that while the ion-water potential energies make the largest contribution to the formation free energy difference between positive and negative ions, the entropy is the contribution leading to lower nucleation free energy barriers for negative ions. The primary reason for this is the larger stable (but precritical) clusters formed around negative ions. We have further shown that the distinction between formation and nucleation free energies is of particular importance when comparing small cations with larger anions where the formation free energies can be much lower for the cationic clusters, even though the nucleation barriers are lower for the anionic clusters.

  5. Barriers to the adoption of energy-conserving technologies in the textile industry

    Energy Technology Data Exchange (ETDEWEB)

    Evans, A.R.; Zussman, S.K.

    1979-09-01

    An overview of the textile industry and a discussion of energy-conserving technologies currently available at the pilot-demonstration stage are presented. Existing and potential barriers to the adoption of these technologies in the textile industry identified are: economic; technical acceptance; conflict between commitments of capital for compliance with environmental and health regulations and for investment in energy conservation measures; and a lack of information and technical expertise. Possible measures to eliminate barriers to the implementation of energy-conserving technologies are discussed. (MCW)

  6. Expressions For Total Energy And Relativistic Kinetic Energy At Low Speeds In Special Relativity Must Include Rotational And Vibrational As Well As Linear Kinetic Energies

    Science.gov (United States)

    Brekke, Stewart

    2017-09-01

    Einstein calculated the total energy at low speeds in the Special Theory of Relativity to be Etotal =m0c2 + 1 / 2m0v2 . However, the total energy must include the rotational and vibrational kinetic energies as well as the linear kinetic energies. If 1 / 2 Iω2 is the expression for the rotational kinetic energy of mass and 1 / 2 kx02 is the vibrational kinetic energy expression of a typical mass, the expression for the total energy of a mass at low speeds must be Etotal =m0c2 + 1 / 2m0v2 + 1 / 2 Iω2 + 1 / 2 kx02 . If this expression is correct, the relativistic kinetic energy of a mass. at low speeds must include the rotational and vibrational kinetic energies as well as the linear kinetic energies since according to Einstein K = (m -m0) c2 and therefore, K = 1 / 2m0v2 + 1 / 2 Iω2 + 1 / 2 kx02 .

  7. Socio-cultural barriers to the development of a sustainable energy system - the case of hydrogen

    DEFF Research Database (Denmark)

    Petersen, Lars Kjerulf; Andersen, Anne Holst

    Any transition to a more sustainable energy system, radically reducing greenhouse gas emissions, is bound to run in to a host of different barriers - technological and economic, but also socio-cultural. This will also be the case for any large-scale application of hydrogen as energy carrier......, especially if the system is going to be based on renewable energy sources. The aim of these research notes is to review and discuss major socio-cultural barriers to new forms of energy supply in general and to hydrogen specifically. Reaching sufficient reductions in greenhouse gas emissions may require more...... than large-scale dissemination of renewable energy sources. Also reductions or moderations in energy demand may be necessary. Hence, a central point in the research notes is to consider not only socio-cultural obstacles for changing technologies in energy production, distribution and consumption...

  8. Potential and barrier study. Energy efficiency of Norwegian homes; Potensial- og barrierestudie. Energieffektivisering av norske boliger

    Energy Technology Data Exchange (ETDEWEB)

    Mjoenes, Christian; Pettersen, Folke Vogn Haug; Kristoffersen, Bjoerge Sandberg; Birkeland, Bjoern Mangor; Essen, Jan von; Haarberg; Karl Johan

    2012-01-15

    On behalf of Enova SF, Prognosesenteret AS and Entelligens AS carried out a potential and barrier study of energy efficiency of the Norwegian housing stock. The study made use of newer and known studies of the Norwegian housing stock, known and documented barriers to energy efficiency, and new and extensive studies of several topics which have only been partially or never explored before. Through unique analysis and a case-based approach, it revealed a real energy efficiency potential in Norwegian homes with known technology and revealed representativeness, relevance, strength and extent of the barriers that prevent that one can realize most of the technical energy efficiency potential in the Norwegian housing stock. (eb)

  9. Barriers connected with certifying or listing of energy-conserving products used in buildings

    Energy Technology Data Exchange (ETDEWEB)

    1977-05-01

    The report assesses the availability and implementation of energy conservation technology, particularly in the residential sector. Of concern is that energy-conserving innovations are restricted and, in some cases, blocked entirely from reaching the marketplace by a variety of institutional barriers. An ERDA-sponsored project to identify practical policy or program options whose implementation would increase the rate and degree of market penetration of these products is summarized. From research performed over a five-month period, the report describes the results of a survey of energy-conserving products and certification practices and procedures; energy-conserving products identified as being restricted; identification and analysis of the effects of these barriers; and the recommendations of policies and programs to mitigate the effects of the identified barriers. (MCW)

  10. Factors Affecting Energy Barriers for Pyramidal Inversion in Amines and Phosphines: A Computational Chemistry Lab Exercise

    Science.gov (United States)

    Montgomery, Craig D.

    2013-01-01

    An undergraduate exercise in computational chemistry that investigates the energy barrier for pyramidal inversion of amines and phosphines is presented. Semiempirical calculations (PM3) of the ground-state and transition-state energies for NR[superscript 1]R[superscript 2]R[superscript 3] and PR[superscript 1]R[superscript 2]R[superscript 3] allow…

  11. Potential and barrier study. Energy efficiency of Norwegian homes; Potensial- og barrierestudie. Energieffektivisering av norske boliger

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    Enova has identified potentials and barriers for energy efficiency in Norwegian buildings. This report summarizes the results of this work. Efficient energy in buildings is important to ensure that future economic activity and growth can occur in a way that reduces the possibilities for an environmentally and economically sound development. (eb)

  12. Energy Barriers and Driving Forces Associated with the Dynamic Transformation of Ti-6Al-4V (Preprint)

    Science.gov (United States)

    2017-12-11

    AFRL-RX-WP-JA-2017-0516 ENERGY BARRIERS AND DRIVING FORCES ASSOCIATED WITH THE DYNAMIC TRANSFORMATION OF TI-6AL-4V (PREPRINT) S.L...TYPE 3. DATES COVERED (From - To) 11 December 2017 Interim 19 March 2014 – 11 November 2017 4. TITLE AND SUBTITLE ENERGY BARRIERS AND DRIVING FORCES...The energy barriers and driving forces associated with dynamic transformation in Ti-6Al-4V are evaluated. It is shown that the stored energy is less

  13. Implementation of renewable energy technology - Opportunities and barriers. Summary of country studies

    Energy Technology Data Exchange (ETDEWEB)

    Painuly, J.P.; Fenhann, J.V.

    2002-07-01

    The project was launched to identify barriers to the implementation of renewable energy technologies (RETs) and explore measures to overcome the identified barriers. National institutions in Egypt, Ghana and Zimbabwe carried out the country studies based on the basic methodological framework provided by the UNEP Centre. The objectives of the project included strengthening institutional capacity for analysis and implementation of RET projects in the participating countries and bring out experiences on RETs barriers and removal measures for dissemination so that others can benefit from the knowledge so gained. An important highlight of the studies was involvement of stake holders in the process of identification of barriers and measures to remove them. A preliminary identification of relevant RETs for their countries was done by the country teams in the initial stage of the project. After that, national workshops involving various stake holders were held between July and September 1999 to discuss the RETs and barriers to their implementation. Based on the discussions, a few important RETs were identified for more detailed study. PV systems for rural electrification, solar water heating systems and large-scale biogas system were identified and analysed for barriers in the Egypt country study. Economic, information and policy barriers were identified as major barriers for these technologies. Solar water pumps, biogas and small hydro were the focus of study in Ghana. In this case also, economic, information and policy barriers were found to be the important barriers for the selected technologies. In the case of Zimbabwe, focus was on identification of primary and secondary barriers to RETs dissemination. The primary barriers included lack of capacity to develop proposals, lack of information for policy making and framework for information dissemination. The study concluded that the secondary barriers as seen and experienced by the stake holders are due to primary

  14. Implementation of renewable energy technologies - Opportunities and barriers. Egypt country study

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    The project used case studies of renewable energy implementation projects to analyse the reasons for success or failure of specific projects or technologies. In particular the study aimed to identify possibilities for 'removing' the main barriers and thus 'promoting' increased implementation of (RETs), and to 'generalise' the experiences from the case studies and produce results that can be disseminated and utilized further in a planned second phase. The specific objectives for Egypt Country Study were: 1) To determine, on the basis of analysis of the past experience, the barriers against implementation of RETs in Egypt, and to identify the favourable conditions and actions required for such implementation. 2) To apply the knowledge gained and results of the analysis of past projects for a detailed analysis of barriers to a chosen set of potential RETs implementation projects with view to success. 3) To identify specific RET projects for implementation including necessary actions to overcome identified barriers. The case study revealed that; for Domestic Solar Water Heating (DSWH) the main barriers are; the economic barriers followed by the awareness / information barriers, then the Technical and Institution barriers. For the PV rural electrification, the most important barriers are; the economic and financial barriers, the awareness and information barriers then the technical barriers. For the large-scale biogas systems, the main barriers are the institution and capacity, economic, policy and awareness / information respectively. According to the project results the main actions that could be taken to overcome the barriers and make use of the available opportunities are: Economic / Financial: 1) Creation of new financial schemes for the RETs applications components and systems. 2) Reducing the taxes and duties for the components and / or materials needed for Renewable Energy (RE) systems. 3) More government-supported market incentives

  15. Addressing Social and Institutional Barriers for Wind Energy Installations

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez, L.; Gonzalez, R.; Varela, M. [Ciemat. Madrid (Spain); Ramirez, I.; Vicente, F. [Consejeria de Medio Ambiente, Agricultura y Agua. Comunidad Autonoma de Murcia (Spain)

    2000-07-01

    This project has been jointly financed by the European Commission and developed within the Programme Thermie-B. The main tasks to carried out are: Revision of institutional and legal framework. The revision of institutional and legal framework of different participating countries, i. e. their comparison with the rest of the countries with a relevant role in the field of wind energy. Opinion poll carried out on the wind energy. By means of this means, one wants to test public opinion with respect to wind energy. So for such purpose, there are interviews carried out in the municipalities with wind parks, as well as in those where these are in the process of being installed or the project is in its due course. Simulation of wind parks installation. The Wind Park Wandered software tool is a Design and Visualisation tool developed by CINAR, which allows the preview of potential wind parks, evaluating their visual and audio impact. Production and distribution of information on wind energy. For such purpose, we can include the present publication with which one could summarise the main aspects associated with wind energy from its origin, the study of energy source (wind), and the machines that make use of it or the most relevant social and environmental contexts. Organizing informative seminars on the design possibilities of wind parks. At these seminar, one could assess the present wind energy situation in the European context and in each one of the participating countries. And possibilities of presenting WPW software as a design tool for wind parks. (Author) 12 refs.

  16. E4 - Energy efficient elevators and escalators. Barriers to and strategies for promoting energy-efficient lift and escalator technologies

    Energy Technology Data Exchange (ETDEWEB)

    Duetschke, Elisabeth; Hirzel, Simon

    2010-02-25

    According to prior findings of the E4 project, considerable savings potential exists both for lifts and escalators that could be realized if appropriate technology is implemented. However, energy-efficient technology is slowly diffusing the market - a phenomenon that could be explained by barriers present in the market. A barrier is defined as a mechanism that inhibits a decision or behavior that appears to be both energy-efficient and economically efficient and thereby prevents investment in energy-efficient technologies. This document has two aims. First, it will identify influential barriers in the European lift and escalator market. This analysis is based on the literature as well as a study including interviews as well as group discussions with relevant stakeholders. Second, strategies and measures to overcome the barriers identified in the first step are outlined. Major barriers to the penetration of energy-efficient technologies identified in this paper include a lack of monitoring energy consumption of installations and a lack of awareness of as well as knowledge about energy-efficient technology. Thus, installations and components are usually chosen without a (comprehensive) assessment of their energy consumption and without considering life-cycle approaches. On top of this, split incentives are a regularly occurring barrier. Various stakeholders are influential in the decisionmaking process about an installation or its components. However, those who will later pay for the energy consumption often are not involved in this process. Moreover, it is important to keep in mind that the number of new lifts and escalators installed each year is relatively low compared to the existing stock. Thus, it is very important to discuss enhancement of energy efficiency also for the existing stock. Based on our analyses, several recommendations are developed in this paper that could contribute to a market transformation in the lift and escalator market. First of all, a

  17. Overheating risk barriers to energy renovations of single family houses

    DEFF Research Database (Denmark)

    Psomas, Theofanis Ch.; Heiselberg, Per Kvols; Duer, Karsten

    2016-01-01

    Highlights •Energy renovations of houses in moderate climates increase overheating risk. •Critical measures are the floor insulation and the improvement of the airtightness. •Decrease of the g value of windows diminishes the intensity and the period of it. •Static method of assessment shows higher...

  18. Technical Barriers, Gaps, and Opportunities Related to Home Energy Upgrade Market Delivery

    Energy Technology Data Exchange (ETDEWEB)

    Bianchi, M. V. A.

    2011-11-01

    This report outlines the technical barriers, gaps, and opportunities that arise in executing home energy upgrade market delivery approaches, as identified through research conducted by the U.S. Department of Energy's Building America program. The objective of this report is to outline the technical1 barriers, gaps, and opportunities that arise in executing home energy upgrade market delivery approaches, as identified through research conducted by the U.S. Department of Energy's (DOE) Building America program. This information will be used to provide guidance for new research necessary to enable the success of the approaches. Investigation for this report was conducted via publications related to home energy upgrade market delivery approaches, and a series of interviews with subject matter experts (contractors, consultants, program managers, manufacturers, trade organization representatives, and real estate agents). These experts specified technical barriers and gaps, and offered suggestions for how the technical community might address them. The potential benefits of home energy upgrades are many and varied: reduced energy use and costs; improved comfort, durability, and safety; increased property value; and job creation. Nevertheless, home energy upgrades do not comprise a large part of the overall home improvement market. Residential energy efficiency is the most complex climate intervention option to deliver because the market failures are many and transaction costs are high (Climate Change Capital 2009). The key reasons that energy efficiency investment is not being delivered are: (1) The opportunity is highly fragmented; and (2) The energy efficiency assets are nonstatus, low-visibility investments that are not properly valued. There are significant barriers to mobilizing the investment in home energy upgrades, including the 'hassle factor' (the time and effort required to identify and secure improvement works), access to financing, and the

  19. Determination of the energy barrier and spin torque efficiency based on telegraph noise

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Sang-Jun; Yoo, Sang-Cheol; Choe, Sug-Bong [Seoul National University, Seoul (Korea, Republic of); Min, Byoung-Chul [Korea Institute of Science and Technology, Seoul (Korea, Republic of)

    2014-11-15

    The spin torque (ST) efficiency and energy barrier of domain wall (DW) depinning are investigated by analyzing the telegraph noise in nanostructured ferromagnetic Pt/Co/Pt films. The telegraph noise is generated by applying both a magnetic field and an electric current, whose forces on the DW oppose each other. Cumulating the DW depinning probability experimentally revealed that the DW depinning was governed by a single energy barrier, whose height was estimated to be about 1.0 x 10{sup -19} J. The ST efficiency at the pinning site is estimated to be - 4.6 x 10{sup -14} T·m{sup 2}/A. The present analysis technique provides an alternative way to determine the ST efficiency in the short-current-pulse-driven DW motion at a single energy barrier.

  20. Direct measurement of free-energy barrier to nucleation of crystallites in amorphous silicon thin films

    Science.gov (United States)

    Shi, Frank G.

    1994-01-01

    A method is introduced to measure the free-energy barrier W(sup *), the activation energy, and activation entropy to nucleation of crystallites in amorphous solids, independent of the energy barrier to growth. The method allows one to determine the temperature dependence of W(sup *), and the effect of the preparation conditions of the initial amorphous phase, the dopants, and the crystallization methds on W(sup *). The method is applied to determine the free-energy barrier to nucleation of crystallites in amorphous silicon (a-Si) thin films. For thermally induced nucleation in a-Si thin films with annealing temperatures in the range of from 824 to 983 K, the free-energy barrier W(sup *) to nucleation of silicon crystals is about 2.0 - 2.1 eV regardless of the preparation conditions of the films. The observation supports the idea that a-Si transforms into an intermediate amorphous state through the structural relaxation prior to the onset of nucleation of crystallites in a-Si. The observation also indicates that the activation entropy may be an insignificant part of the free-energy barrier for the nucleation of crystallites in a-Si. Compared with the free-energy barrier to nucleation of crystallites in undoped a-Si films, a significant reduction is observed in the free-energy barrier to nucleation in Cu-doped a-Si films. For a-Si under irradiation of Xe(2+) at 10(exp 5) eV, the free-energy barrier to ion-induced nucleation of crystallites is shown to be about half of the value associated with thermal-induced nucleation of crystallites in a-Si under the otherwise same conditions, which is much more significant than previously expected. The present method has a general kinetic basis; it thus should be equally applicable to nucleation of crystallites in any amorphous elemental semiconductors and semiconductor alloys, metallic and polymeric glasses, and to nucleation of crystallites in melts and solutions.

  1. Potential and barrier study. Energy efficiency in Norwegian vocational buildings; Potensial- og barrierestudie. Energieffektivisering i norske yrkesbygg

    Energy Technology Data Exchange (ETDEWEB)

    Boehn, Trond Ivar; Palm, Linn Therese; Bakken, Line; Nossum, Aase; Jordell, Hanne

    2012-07-01

    On behalf of Enova SF, Multiconsult AS and Analyse og Strategi AS conducted an analysis to identify potential and barriers related to commercial buildings energy performance. The aim of this study was to determine what is the potential for energy efficiency for Norwegian vocational buildings that distinguishes between theoretical, technical, financial and real potential. Technical potential is the percentage of the theoretical potential that is technically feasible. Economic potential is the proportion of technical potential that is economically profitable to implement. Economic potential varies with the energy price. Build a small part of the total potential in 2020. In the calculation of the real potential is taken into account induced potential in terms of that, each year, a percentage actually implementing energy conservation measures (energy efficiency ratio 2%), a percentage rehabilitating / upgrading existing buildings (rehab rate 1.5%), and that a proportion of new buildings built better than regulatory requirements (rate 10%). In real potential for energy efficiency is the proportion of the economic potential that is not natural triggered but which is limited by various barriers. In real potential also varies with energy price. Respondents in our study is particularly concerned with the economic barriers, and least concerned the technical barriers. Attitudes and knowledge barriers are also very important. Lack of knowledge the effects and benefits of energy efficiency means that negative attitudes persist and that myths about the lack of profitability continues to exist. Many believe this is due to lack the knowledge and can be the cause of other types of barriers such as economic barriers. It has been analyzed which part of the real potential bounded by the barriers, and which type of institutions in society that can reduce these barriers with various categories of instrument. Main barriers for existing buildings practical barriers, economic barriers and

  2. Removing barriers to women entrepreneurs’ engagement in decentralized sustainable energy solutions for the poor

    Directory of Open Access Journals (Sweden)

    Yannick Glemarec

    2016-01-01

    Full Text Available  Rapidly falling renewable technology costs and new business models mean that decentralized energy solutions hold great promise to accelerate universal sustainable energy access. Across developing countries, women are typically the primary household energy managers. Close to their customers, women entrepreneurs have the potential to lower customer acquisition and servicing costs and drive these new decentralized solutions. However, they remain under-represented in the industry. This paper attempts to understand the root causes of this gender gap. It formulates the research hypothesis that market transformation policies intended to reduce investment risks to accelerate energy access may not benefit men and women entrepreneurs equally because of the existing structural barriers that women face. To test this hypothesis, the paper conducts a gender sensitive investment barrier and risk analysis, overlaid onto an existing gender neutral taxonomy of investment barriers and risks for decentralized sustainable energy solutions. A key finding is that for women entrepreneurs, existing structural impediments to gender equality translate into additional investment barriers as well as increased likelihood of occurrence and severity of the financial impact of generic investment risks. The paper offers an illustrative theory of change to facilitate a dialogue on the specific interventions needed to address these gender differentiated risks locally. It concludes that market transformation efforts for universal sustainable energy access must include targeted policy measures to ensure equal benefits to men and women entrepreneurs, and optimize the use of public resources to catalyze private investment and reduce poverty.

  3. Energy Savings Certificate Markets: Opportunities and Implementation Barriers

    Energy Technology Data Exchange (ETDEWEB)

    Friedman, B.; Bird, L.; Barbose, G.

    2009-07-01

    Early experiences with energy savings certificates (ESCs) have revealed their merits and the challenges associated with them. While in the United States ESC markets have yet to gain significant traction, lessons can be drawn from early experiences in the states of Connecticut and New York, as well as from established markets in Italy, France, and elsewhere. The staying power of European examples demonstrates that ESCs can help initiate more efficiency projects. This article compares ESCs with renewable energy certificates (RECs), looks at the unique opportunities and challenges they present, and reviews solutions and best practices demonstrated by early ESC markets. Three major potential ESC market types are also reviewed: compliance, voluntary, and carbon. Additionally, factors that will benefit ESC markets in the United States are examined: new state EEPS policies, public interest in tools to mitigate climate change, and the growing interest in a voluntary market for ESCs.

  4. Analysis of the barriers to renewable energy development on tribal lands

    Science.gov (United States)

    Jones, Thomas Elisha

    Native American lands have significant renewable energy resource potential that could serve to ensure energy security and a low carbon energy future for the benefit of tribes as well as the United States. Economic and energy development needs in Native American communities match the energy potential. A disproportionate amount of Native American households have no access to electricity, which is correlated with high poverty and unemployment rates. Despite the vast resources and need for energy, the potential for renewable energy development has not fully materialized. This research explores this subject through three separate articles: 1) a case study of the Navajo Nation that suggests economic viability is not the only significant factor for low adoption of renewable energy on Navajo lands; 2) an expert elicitation of tribal renewable energy experts of what they view as barriers to renewable energy development on tribal lands; and 3) a reevaluation of Native Nation Building Theory to include external forces and the role that inter-tribal collaboration plays with renewable energy development by Native nations. Major findings from this research suggests that 1) many Native nations lack the technical and legal capacity to develop renewable energy; 2) inter-tribal collaboration can provide opportunities for sharing resources and building technical, legal, and political capacity; and 3) financing and funding remains a considerable barrier to renewable energy development on tribal lands.

  5. Communication Barriers and Lessons Learned in Energy Policy

    OpenAIRE

    Hollie Smith; Christine Gilbert

    2018-01-01

    In the past 30 years, energy researchers have concluded their academic publication with sections that deal directly with policy implications and recommendations. Yet too often, these recommendations are written with little understanding of how policymakers balance different needs, prefer to communicate, or use scientific information. In this manuscript, we outline key variables—time, training, and interpretation—that are key to understanding how to better communicate research implications to ...

  6. High energy lithium-oxygen batteries - Transport barriers and thermodynamics

    KAUST Repository

    Das, Shyamal K.

    2012-01-01

    We show that it is possible to achieve higher energy density lithium-oxygen batteries by simultaneously lowering the discharge overpotential and increasing the discharge capacity via thermodynamic variables alone. By assessing the relative effects of temperature and pressure on the cell discharge profiles, we characterize and diagnose the critical roles played by multiple dynamic processes that have hindered implementation of the lithium-oxygen battery. © 2012 The Royal Society of Chemistry.

  7. Rotational dependence of the proton-transfer reaction HBr+ + CO2-->HOCO+ + Br. I. Energy versus angular momentum effects.

    Science.gov (United States)

    Paetow, Lisa; Unger, Franziska; Beichel, Witali; Frenking, Gernot; Weitzel, Karl-Michael

    2010-05-07

    Cross sections for the endothermic proton-transfer reactions of rotationally state-selected HBr(+) and DBr(+) ions with CO(2) were measured in a guided ion beam apparatus in order to determine the influence of rotational excitation and collision energy in the center of mass (c.m.) system on the cross section. Ab initio calculations were performed to obtain energetic information about reactants, intermediates, and products. In the experiment HBr(+) and DBr(+) ions were prepared with the same mean rotational quantum number but different mean rotational energies as the rotational constants differ by about a factor of two. The mean rotational energy was varied from 1.4 to 66.3 meV for HBr(+) and from 0.7 to 43.0 meV for DBr(+). Collision energies (E(c.m.)) ranged from 0.32 to 1.00 eV. Under all conditions considered, an increase in the rotational excitation leads to a decrease in the cross section for both reactions. However, the effect is more pronounced for the higher collision energies. For E(c.m.)=1.00 and 0.85 eV; a comparison between the results for HBr(+) and DBr(+) indicates that the cross section is dominated by effects of rotational energy rather than angular momentum. For lower collision energies the cross sections for the deuteron transfer and the proton transfer are in best agreement if not compared for the same c.m. collision energy but for the same value of the difference between the collision energy and the reaction enthalpy.

  8. Financing energy SMEs in Ghana and Senegal: Outcomes, barriers and prospects

    DEFF Research Database (Denmark)

    Haselip, James Arthur; Desgain, Denis DR; Mackenzie, Gordon A.

    2014-01-01

    The article presents the findings of primary research carried out in Ghana and Senegal, which revisited the main assumptions behind the African Rural Energy Enterprise Development (AREED) initiative (2002–2012), and other donor-backed programmes, designed to promote small and medium-sized energy...... enterprises (energy SMEs). These assumptions were (1) that the lack of affordable local financing presented the most significant barrier to setting up and expanding energy SMEs, and (2) that these barriers would be overcome by a ‘demonstration effect’ whereby successful businesses, supported by donor......-backed programmes, could in turn influence the commercial financial sector to invest in energy SMEs, thus triggering a virtuous circle of growth and profitability....

  9. Market barriers to energy efficiency: A critical reappraisal of the rationale for public policies to promote energy efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Golove, W.H.; Eto, J.H. [Lawrence Berkeley National Lab., CA (United States). Energy and Environment Div.

    1996-03-01

    This report reviews current perspectives on market barriers to energy efficiency. Ratepayer-funded utility energy-efficiency programs are likely to change in scope, size, and nature as the deregulation process proceeds; the authors research focuses on understanding to what extent some form of future intervention may be warranted and how they might judge the success of particular interventions, especially those funded by ratepayers. They find that challenges to the existence of market barriers have, for the most part, failed to provide a testable alternative explanation for evidence suggesting that there is a substantial ``efficiency gap`` between a consumer`s actual investments in energy efficiency and those that appear to be in the consumer`s own interest. They then suggest that differences of opinion about the appropriateness of public policies stem not from disputes about whether market barriers exist, but from different perceptions of the magnitude of the barriers, and the efficacy and (possibly unintended) consequences of policies designed to overcome them. They conclude that there are compelling justifications for future energy-efficiency policies. Nevertheless, in order to succeed, they must be based on a sound understanding of the market problems they seek to correct and a realistic assessment of their likely efficacy. This understanding can only emerge from detailed investigations of the current operation of individual markets.

  10. Analyzing Barriers to Energy Conservation in Residences and Offices: The Rewire Program at the University of Toronto

    Science.gov (United States)

    Stokes, Leah C.; Mildenberger, Matto; Savan, Beth; Kolenda, Brian

    2012-01-01

    Conducting a barriers analysis is an important first step when designing proenvironmental behavior change interventions. Yet, detailed information on common barriers to energy conservation campaigns remains unavailable. Using a pair of original surveys, we leverage the theory of planned behavior to report on the most important barriers for…

  11. Fusion and Direct Reactions of Halo Nuclei at Energies around the Coulomb Barrier

    CERN Document Server

    Keeley, N; Raabe, R; Sida, J L

    2007-01-01

    The present understanding of reaction processes involving light unstable nuclei at energies around the Coulomb barrier is reviewed. The effect of coupling to direct reaction channels on elastic scattering and fusion is investigated, with the focus on halo nuclei. A list of definitions of processes is given, followed by a review of the experimental and theoretical tools and information presently available. The effect of couplings on elastic scattering and fusion is studied with a series of model calculations within the coupled-channels framework. The experimental data on fusion are compared to "bare" no-coupling one-dimensional barrier penetration model calculations. On the basis of these calculations and comparisons with experimental data, conclusions are drawn from the observation of recurring features. The total fusion cross sections for halo nuclei show a suppression with respect to the "bare" calculations at energies just above the barrier that is probably due to single neutron transfer reactions. The dat...

  12. On the ρ ∗ scaling of intrinsic rotation in C-Mod plasmas with edge transport barriers

    Science.gov (United States)

    Rice, J. E.; Hughes, J. W.; Diamond, P. H.; Cao, N.; Chilenski, M. A.; Hubbard, A. E.; Irby, J. H.; Kosuga, Y.; Lin, Y.; Metcalf, I. W.; Reinke, M. L.; Tolman, E. A.; Victora, M. M.; Wolfe, S. M.; Wukitch, S. J.

    2017-11-01

    Changes in the core intrinsic toroidal rotation velocity following L- to H- and L- to I-mode transitions have been investigated in Alcator C-Mod tokamak plasmas. The magnitude of the co-current rotation increments is found to increase with the pedestal temperature gradient and q95 , and to decrease with toroidal magnetic field. These results are captured quantitatively by a model of fluctuation entropy balance which gives the Mach number Mi \\cong ρ _*/2 L_s/LT ∼ \

  13. Use of current-voltage diagrams in locating peak energy barriers in cell membranes.

    Science.gov (United States)

    Ginsburg, S; Noble, D

    1976-11-22

    The current-voltage relations obtained by integrating the Nernst-Planck equations for a variety of energy profiles are obtained. A simple and approximate method for comparing these relations is described. The method is based on using a linearized transform of current-voltage relations for an Eyring single barrier model. A parameter, gamma, related to the location of the single barrier in the Eyring model, and to the shape of the barrier in other models, is readily obtained from the slopes of the linearized relations. It is then a simple matter to determine whether a given current-voltage relation allows discrimination between any particular energy profiles. The results show that the equivalent Eyring model does not always place the peak energy barrier in the same position as other models and that quite large errors in the assignment of position may be made if such a model is used. The results are also used to test the ability of some experimental current-voltage diagrams to discriminate between various energy profiles.

  14. Metastable States, Relaxation Times and Free-energy Barriers in Finite Dimensional Glassy Systems

    OpenAIRE

    Franz, Silvio

    2005-01-01

    In this note we discuss metastability in a long-but-finite range disordered model for the glass transition. We show that relaxation is dominated by configuration belonging to metastable states and associate an in principle computable free-energy barrier to the equilibrium relaxation time. Adam-Gibbs like relaxation times appear naturally in this approach.

  15. Barriers and opportunities: A review of selected successful energy-efficiency programs

    Energy Technology Data Exchange (ETDEWEB)

    Worrell, Ernst; Price, Lynn

    2001-03-20

    In industry, barriers may exist at various points in the decision making process, and in the implementation and management of measures to improve energy efficiency. Barriers may take many forms, and are determined by the business environment and include decision-making processes, energy prices, lack of information, a lack of confidence in the information, or high transaction costs for obtaining reliable information, as well as limited capital availability. Other barriers are the ''invisibility'' of energy efficiency measures and the difficulty of quantifying the impacts, and slow diffusion of innovative technology into markets while firms typically under-invest in R and D, despite the high pay-backs. Various programs try to reduce the barriers to improve the uptake of innovative technologies. A wide array of policies has been used and tested in the industrial sector in industrialized countries, with varying success rates. We review some new approaches to industrial energy efficiency improvement in industrialized countries, focusing on voluntary agreements.

  16. Fusion of light exotic nuclei at near-barrier energies: Effect of ...

    Indian Academy of Sciences (India)

    Abstract. The effect of inelastic excitation of exotic light projectiles (proton- as well as neutron- rich) 17F and 11Be on fusion with heavy target has been studied at near-barrier energies. The cal- culations have been performed in the coupled channels approach where, in addition to the normal coupling of the ground state of ...

  17. Sustainability, Shale Gas, and Energy Transition in China: Assessing Barriers and Prioritizing Strategic Measures

    DEFF Research Database (Denmark)

    Ren, Jingzheng; Tan, Shiyu; Goodsite, Michael Evan

    2015-01-01

    Shale gas, as an emerging unconventional resource in China, has been regarded as a promising option for diversifying away from traditional fossil fuels and enhancing national security of energy supply. This study analyzed the barriers affecting the sustainable shale gas revolution in China...

  18. Biomass energy in organic farming - the potential role of short rotation coppice

    Energy Technology Data Exchange (ETDEWEB)

    Joergensen, Uffe; Dalgaard, Tommy [Danish Inst. of Agricultural Sciences (DIAS), Dept. of Agroecology, Research Centre Foulum, Tjele (Denmark); Kristensen, Erik Steen [Danish Research Centre for Organic Farming (DARCOF), Research Centre Foulum, Tjele (Denmark)

    2005-02-01

    One of the aims of organic farming is to 'reduce the use of non-renewable resources (e.g. fossil fuels) to a minimum'. So far, however, only very little progress has been made to introduce renewable energy in organic farming. This paper presents energy balances of Danish organic farming compared with energy balances of conventional farming. In general, the conversion to organic farming leads to a lower energy use (approximately 10% per unit of product). But the production of energy in organic farming is very low compared with the extensive utilisation of straw from conventional farming in Denmark (energy content of straw used for energy production was equivalent to 18% of total energy input in Danish agriculture in 1996). Biomass is a key energy carrier with a good potential for on-farm development. Apart from utilising farm manure and crop residues for biogas production, the production of nutrient efficient short rotation coppice (SRC) is an option in organic farming. Alder (Alnus spp.) is an interesting crop due to its symbiosis with the actinomycete Frankia, which has the ability to fix up to 185 kg/ha nitrogen (N{sub 2}) from the air. Yields obtained at different European sites are presented and the R and D needed to implement energy cropping in organic farming is discussed. Possible win-win solutions for SRC production in organic farming that may facilitate its implementation are; the protection of ground water quality in intensively farmed areas, utilisation of wastewater for irrigation, or combination with outdoor animal husbandry such as pigs or poultry. (Author)

  19. Practical Design of an Energy Harvester Considering Wheel Rotation for Powering Intelligent Tire Systems

    Science.gov (United States)

    Zhu, Bing; Han, Jiayi; Zhao, Jian; Deng, Weiwen

    2017-04-01

    Intelligent tires are essentially a data acquisition system based on a number of complex intelligent sensors inside the tire. Intelligent tires which are capable of boosting the performance of the vehicle have the key problem of energy supply. A practical energy harvester was here designed to support the electric equipment in the intelligent tires and make it feasible for them to work steadily and constantly. This harvester takes the centrifugal force caused by the rotation of the wheel, which could affect the resonance frequency of the piezoelectric cantilever, into account. First, the vibration characteristics of the wheel were analyzed by road test, and the optimal arrangement for vibration energy usage was determined. Then, a piezoelectric vibration energy harvester was designed according to a series of formulas that took the effect of centrifugal force on resonance frequency into account. Finally, a road test was carried out to test the generated energy of the energy harvester excited by the vibration of the wheel. The results showed that the electric power meets the need of general low-power consumption triaxial accelerometers used in intelligent tires.

  20. Socio-cultural barriers to the development of a sustainable energy system - the case of hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Kjerulf Petersen, L.; Holst Andersen, A.

    2009-02-15

    Any transition to a more sustainable energy system, radically reducing greenhouse gas emissions, is bound to run in to a host of different barriers - technological and economic, but also socio-cultural. This will also be the case for any large-scale application of hydrogen as energy carrier, especially if the system is going to be based on renewable energy sources. The aim of these research notes is to review and discuss major socio-cultural barriers to new forms of energy supply in general and to hydrogen specifically. Reaching sufficient reductions in greenhouse gas emissions may require more than large-scale dissemination of renewable energy sources. Also reductions or moderations in energy demand may be necessary. Hence, a central point in the research note is to consider not only socio-cultural obstacles for changing technologies in energy production, distribution and consumption but also obstacles for changing the scale of energy consumption, i.e. moderating the growth in how much energy is consumed or even reducing consumption volumes. (au)

  1. Barriers and Potential Solutions for Energy Renovation of Buildings in Denmark

    DEFF Research Database (Denmark)

    Meyer, Niels I; Mathiesen, Brian vad; Hvelplund, Frede

    2014-01-01

    the supply and demand side for heat, electricity and transport. Implementing such Smart Energy Systems requires integrated strategic energy planning on the national and local level. With the fundamental changes in the energy supply technologies expected during the coming years, it is important to synchronize...... investments in energy conservation measures with investments in the supply side, in order to avoid overinvestment in supply systems and thus to minimize the total costs of the transformation to Smart Energy Systems. This paper highlights some of the most important barriers for renovation of existing buildings......Buildings account for a substantial part of the total energy consumption. In Denmark this number is about 40 % and this is approximately the same in most industrial countries. On this background there is an urgent need to develop strategies for reducing the energy demand in the building sector...

  2. Polarization Rotation Caused by Cross-Beam Energy Transfer in Direct-Drive Implosions

    Science.gov (United States)

    Edgell, D. H.; Follett, R. K.; Katz, J.; Myatt, J. F.; Shaw, J. G.; Turnbull, D.; Froula, D. H.

    2017-10-01

    The first evidence of polarization rotation caused by cross-beam energy transfer (CBET) during direct-drive implosions has been provided by a new beamlets diagnostic that was fielded on OMEGA. Beamlet images are, in essence, the end points of beamlets of light originating from different regions of each beam profile and following paths determined by refraction through the coronal plasma. The intensity of each beamlet varies because of absorption and many CBET interactions along that path. The new diagnostic records images in two time windows and includes a Wollaston prism to split each beamlet into two orthogonal polarization images recording the polarization of each beamlet. Only the common polarization components couple during CBET so when each beam is linearly polarized, CBET rotates the polarization of each beam. A 3-D CBET postprocessor for hydrodynamics codes was used to model the beamlet images. The predicted images are compared to the images recorded by the new diagnostic. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

  3. Broadband acoustic energy confinement in hierarchical sonic crystals composed of rotated square inclusions

    Science.gov (United States)

    Shakouri, Amir; Xu, Feifei; Fan, Zheng

    2017-07-01

    The propagation of acoustic waves in hierarchical sonic crystals is studied computationally and experimentally. These sonic crystals are composed of a hierarchical order of square inclusions rotated 45° with respect to the square lattice structure. It is shown that these hierarchical sonic crystals are capable of confining acoustic energy over a broad frequency range and at multiple lattice points inside the sonic crystal based on Bragg's scattering effect. Fused deposition modeling additive manufacturing is applied to prepare a finite-sized sample of the hierarchical sonic crystal. Acoustic measurements are conducted on the hierarchical sonic crystal sample in a direct and closely plane-wave field inside an anechoic room. The experimental measurements are in good agreement with the band structure calculated using the finite element method. Potential applications of the hierarchical sonic crystals for acoustic energy harvesting and noise measurements are discussed.

  4. Energy efficiency and ventilation in Swedish industries barriers, simulation and control strategy

    Energy Technology Data Exchange (ETDEWEB)

    Rohdin, Patrik

    2008-11-15

    The energy issue is presently in focus worldwide. This is not only due to increasing environmental concern regarding energy related emissions, but also due to the trend of increasing energy prices. Energy usage in the industrial sector in Sweden today represents about one third of the national energy use. A substantial part of that is related to support processes such as heating, ventilation and cooling systems. These systems are important as they are related both to energy cost and indoor climate management as well as to the health of the occupants. The purpose of this thesis is to reach a more comprehensive view on industrial energy efficiency and indoor environment issues related to industrial ventilation. This has been studied in three themes where the first part addresses barriers to energy efficiency in Swedish industries, the second theme discuss simulation as decision support, and the third studies the variable air volume system in industrial facilities. In the first theme three different studies were made: the first studies non energy intensive companies in Oskarshamn in Sweden, the second studies the energy intensive foundry industry and the third study was part of an evaluation of a large energy efficiency program called Project Highland. These studies had several findings in common, such as the importance of a strategic view on the energy issue and the presence of a person with real ambition with power over investment decisions related to energy issues at the company. The studies also show that several information related barriers are important for decision makers at the studied companies. This shows that information related barriers are one reason in why energy efficient equipment is not implemented. In the second theme the use of simulation in the form of Computational Fluid Dynamics (CFD) and Building Energy Simulation (BES) are used as decision support for industrial ventilation related studies at two different industries, one foundry is

  5. Analysis of rural household energy supplies in Sri Lanka: energy efficiency, fuel switching and barriers to expansion

    Energy Technology Data Exchange (ETDEWEB)

    Wijayatunga, Priyantha D.C.; Attalage, Rahula A. [Moratuwa Univ., Moratuwa (Sri Lanka)

    2003-05-01

    A majority of the households in Sri Lanka, as in the case of many developing countries, is concentrated in the rural areas of the country. Unfortunately, very little attention has been paid until recently to analyse and address various issues associated with rural energy supplies, particularly those issues regarding barriers to penetration of clean and convenient sources of energy. This paper presents the results and analysis of a study conducted through a sample study on domestic energy supplies in rural Sri Lanka with emphasis on cooking and lighting energy requirements. The paper has attempted to highlight policy issues associated with rural energy supplies and possible solutions to them in the context of the country's overall picture of the energy sector. (Author)

  6. Anisotropic Lithium Insertion Behavior in Silicon Nanowires: Binding Energy, Diffusion Barrier, and Strain Effect

    KAUST Repository

    Zhang, Qianfan

    2011-05-19

    Silicon nanowires (SiNWs) have recently been shown to be promising as high capacity lithium battery anodes. SiNWs can be grown with their long axis along several different crystallographic directions. Due to distinct atomic configuration and electronic structure of SiNWs with different axial orientations, their lithium insertion behavior could be different. This paper focuses on the characteristics of single Li defects, including binding energy, diffusion barriers, and dependence on uniaxial strain in [110], [100], [111], and [112] SiNWs. Our systematic ab initio study suggests that the Si-Li interaction is weaker when the Si-Li bond direction is aligned close to the SiNW long axis. This results in the [110] and [111] SiNWs having the highest and lowest Li binding energy, respectively, and it makes the diffusion barrier along the SiNW axis lower than other pathways. Under external strain, it was found that [110] and [001] SiNWs are the most and least sensitive, respectively. For diffusion along the axial direction, the barrier increases (decreases) under tension (compression). This feature results in a considerable difference in the magnitude of the energy barrier along different diffusion pathways. © 2011 American Chemical Society.

  7. 11Li Breakup on 208Pb at Energies Around the Coulomb Barrier

    DEFF Research Database (Denmark)

    Fernández-García, J.P.; Cubero, M.; Rodríguez-Gallardo, M.

    2013-01-01

    The inclusive breakup for the 11Li+208Pb reaction at energies around the Coulomb barrier has been measured for the first time. A sizable yield of 9Li following the 11Li dissociation has been observed, even at energies well below the Coulomb barrier. Using the first-order semiclassical perturbatio...

  8. Energy savings implication of the increase in peas and lentils in rotations in western Canada and soybeans in Ontario

    Energy Technology Data Exchange (ETDEWEB)

    Coxworth, E. [Biomass Productions and Processing Consultant, Saskatoon, SK (Canada); Biederbeck, V.O.; Campbell, C.A.; Zentner, R.P. [Agriculture and Agri-Food Canada, Swift Current, SK (Canada); Entz, M.H. [Manitoba Univ., Winnipeg, MB (Canada). Dept. of Plant Science

    1997-07-01

    The effects of substitution of legumes for grains in cropping systems were studied. Legumes require less energy to produce than most other crops and can reduce the energy costs of non-legume crops which follow the legume in the rotation. Legumes have low nitrogen fertilizer requirements, they leave some biologically fixed nitrogen in the soil after harvest, and yields of following crops may be increased by rotation effects. A well designed ethanol production system can produce two units of renewable energy for every unit of fossil fuel-based energy required to produce the grain crop and process it to ethanol. Forty per cent of the energy costs of ethanol is the energy cost of production. Therefore, methods that reduce the energy cost of producing the feedstock would reduce the energy cost of ethanol. 8 refs., 4 tabs.

  9. Breakup mechanisms for 7Li + 197Au, 204Pb systems at sub-barrier energies

    Directory of Open Access Journals (Sweden)

    Luong D.H.

    2013-12-01

    Full Text Available Coincidence measurements of breakup fragments were carried out for the 7Li + 197Au and 204Pb systems at sub-barrier energies. The mechanisms triggering breakup, and time-scales of each process, were identified through the reaction Q-values and the relative energy of the breakup fragments. Binary breakup of 7Li were found to be predominantly triggered by nucleon transfer, with p-pickup leading to 8Be → α + α decay being the preferred breakup mode. From the time-scales of each process, the coincidence yields were separated into prompt and delayed components, allowing the identification of breakup process important in the suppression of complete fusion of 7Li at above-barrier energies.

  10. Organizational, interface, and financial barriers to the commercial development of community energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Schladale, R.; Ritschard, R.

    1979-12-01

    The scope of this analysis was limited to systems producing electricity - the output of a community energy system typically falling in the range 10 kW to 150 MW. The purpose of this study was to identify the barriers that groups and individuals will face when attempting to commercialize community energy systems. Three particular classes of barriers were investigated: those within the organization attempting the commercialization, those that arise from attempts to link the community system with an electric utility, and those that impede the flow of investment capital into community energy systems. In summary, three general observations regarding community energy systems may be distilled from this study. First, although many barriers exist to the commercialization of the systems, few if any appear unresolvable. Perhaps most challenginng will be the problem of expanding the use of cogeneration and municipal sold waste while at the same time maintaining or improving ambient air quality. Second, the financial subsidies required to make community systems competitive are not extraordinary. Indeed, with the exception of photovoltaics they should not amount to more than about 10% of capital cost of the new systems, and mass production may eliminate the need for subsidies altogether at some point in the future. Third, the administrative and regulatory procedures required to make community energy systems viable appear to be taking shape in a positive and timely fashion.

  11. Current-induced changes of migration energy barriers in graphene and carbon nanotubes

    KAUST Repository

    Obodo, Tobechukwu Joshua

    2016-04-29

    An electron current can move atoms in a nanoscale device with important consequences for the device operation and breakdown. We perform first principles calculations aimed at evaluating the possibility of changing the energy barriers for atom migration in carbon-based systems. In particular, we consider the migration of adatoms and defects in graphene and carbon nanotubes. Although the current-induced forces are large for both the systems, in graphene the force component along the migration path is small and therefore the barrier height is little affected by the current flow. In contrast, the same barrier is significantly reduced in carbon nanotubes as the current increases. Our work also provides a real-system numerical demonstration that current-induced forces within density functional theory are non-conservative. © 2016 The Royal Society of Chemistry.

  12. NOVEL TSUNAMI BARRIERS AND THEIR APPLICATIONS FOR HYDROELECTRIC ENERGY STORAGE, FISH FARMING, AND FOR LAND RECLAMATION

    Directory of Open Access Journals (Sweden)

    Hans J. Scheel

    2014-10-01

    Full Text Available The tsunami hazard can be mitigated if the destructive waves generated from earthquakes and landslides can be reflected by a stable submerged vertical barrier before striking coastal communities or important structures. Building such deep walls by conventional submarine technology is difficult. The present study describes the principle and the erection of such submarine defensive walls by a relatively simple efficient and economic technology. This technology is based on lowering high- strength steel fences with horizontal anchors, or two parallel steel fences with distance holders, into the sea and fixing them with rocks deposited from top. Dredged material like gravel or sand can be used for additional filling. This Tsunami-Flooding Barrier (TFB extends a few meters above sea level and carries on top a concrete supply and service road protected on both sides against storm waves by concrete walls. Replaceable surge stoppers (parapets, wave return walls prevent overtopping and erosion of the seaward barrier face. The TFBs protect the coastline against tsunami and the highest storm waves from hurricanes, but also can provide protection from oil spills or other contaminations from the ocean and thus protect flora, fauna, coral reefs and beaches. Channels and gates allow navigation and can be closed quickly upon a tsunami or storm warning. The construction costs can be eventually compensated by using the reservoirs between coast and barriers for hydroelectric energy storage (using pump-turbines in the barriers or for fish-farming, or alternatively the reservoir can be filled with rocks, rubble, gravel, sand and covered with soil in order to reclaim new land. Tidal energy can be generated by installing turbines within these barriers. Also, this submarine architecture may be applied to protect pillars of bridges and offshore platforms, and for erecting “roads” into the sea to connect near-shore platforms and wind-parks with the coast and

  13. Energy efficiency and barriers towards meeting energy demand in industries in Nigeria

    Energy Technology Data Exchange (ETDEWEB)

    Unachukwu, Godwin O.; Zarma, I.H.; Sambo, A.S.

    2010-09-15

    Energy is an important production factor and therefore should be managed in parallel with land, labor and capital. Energy efficient production should be seen as a quick and cheaper source of new energy supply as the cost of providing energy can be several times the cost of saving it. Increasingly energy efficiency is deemed to include not only the physical efficiency of the technical equipment and facilities but also the overall economic efficiency of the energy system.

  14. Optimising the Environmental Sustainability of Short Rotation Coppice Biomass Production for Energy

    Directory of Open Access Journals (Sweden)

    Ioannis Dimitriou

    2014-12-01

    Full Text Available Background and Purpose: Solid biomass from short rotation coppice (SRC has the potential to significantly contribute to European renewable energy targets and the expected demand for wood for energy, driven mainly by market forces and supported by the targets of national and European energy policies. It is expected that in the near future the number of hectares under SRC will increase in Europe. Besides producing biomass for energy, SRC cultivation can result in various benefits for the environment if it is conducted in a sustainable way. This paper provides with an overview of these environmental benefits. Discussion and Conclusions: The review of existing literature shows that SRC helps to improve water quality, enhance biodiversity, prevent erosion, reduce chemical inputs (fertilizers, pesticides and mitigate climate change due to carbon storage. To promote and disseminate environmentally sustainable production of SRC, based on existing literature and own project experience, a set of sustainability recommendations for SRC production is developed. In addition to numerous environmental benefits, sustainable SRC supply chains can bring also economic and social benefits. However, these aspects of sustainability are not addressed in this paper since they are often country specific and often rely on local conditions and policies. The sustainable practices identified in this manuscript should be promoted among relevant stakeholder to stimulate sustainable local SRC production.

  15. Random free energy barrier hopping model for ac conduction in chalcogenide glasses

    Directory of Open Access Journals (Sweden)

    Ram Murti

    2016-03-01

    Full Text Available The random free energy barrier hopping model is proposed to explain the ac conductivity (σac of chalcogenide glasses. The Coulomb correlation is consistently accounted for in the polarizability and defect distribution functions and the relaxation time is augmented to include the overlapping of hopping particle wave functions. It is observed that ac and dc conduction in chalcogenides are due to same mechanism and Meyer-Neldel (MN rule is the consequence of temperature dependence of hopping barriers. The exponential parameter s is calculated and it is found that s is subjected to sample preparation and measurement conditions and its value can be less than or greater than one. The calculated results for a − Se, As2S3, As2Se3 and As2Te3 are found in close agreement with the experimental data. The bipolaron and single polaron hopping contributions dominates at lower and higher temperatures respectively and in addition to high energy optical phonons, low energy optical and high energy acoustic phonons also contribute to the hopping process. The variations of hopping distance with temperature is also studied. The estimated defect number density and static barrier heights are compared with other existing calculations.

  16. Enhancement of fusion at near and sub-barrier energies for neutron-rich light nuclei

    CERN Document Server

    Singh, Varinderjit; Steinbach, T K; Wiggins, B B; Hudan, S; Lin, R T deSouza Zidu; Horowitz, C J; Baby, L T; Kuvin, S A; Tripathi, Vandana; Wiedenhover, I

    2016-01-01

    Measurement of the fusion cross-section for neutron-rich light nuclei is crucial in ascertaining if fusion of these nuclei occurs in the outer crust of a neutron star. We have therefore measured the fusion excitation function at near-barrier energies for the 19O + 12C system and compared the experimental results with the fusion excitation function of 18O + 12C and 16O + 12C. In the experiment a beam of 19O, produced via the 18O(d,p) reaction, was incident on a 12C target at energies near the Coulomb barrier. Evaporation residues produced in fusion of 18,19O ions with 12C target nuclei were detected with good geometric efficiency and identified by measuring their energy and time-of-flight. A significant enhancement in the fusion probability of 19O ions with a 12C target as compared to 18O ions is observed. The significantly larger cross-sections observed at near barrier energies are not predicted by a static model of fusion for 19O + 12C indicating that dynamics play an important role in the fusion of neutron-...

  17. Barriers to and drivers of the adpotion of energy crops by Swedish farmers: An empirical approach

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Anna C.; Ostwald, Madelene; Asplund, Therese; Wibeck, Victoria (Linkoeping Univ., Linkoeping (Sweden). The Tema Inst., Centre for Climate Science and Policy Research)

    2011-06-15

    Since the Swedish government and the EU intend to encourage farmers to expand energy crop production, knowledge of the factors motivating adoption decisions is vital to policy success. Earlier studies have demonstrated that important barriers to farmer adoption of energy crops include converting from annual to perennial crops and from traditional crops or production systems to new ones. Economic motivations for changing production systems are strong, but factors such as values (e.g., aesthetics), knowledge (e.g., habits and knowledge of production methods), and legal conditions (e.g., cultivation licenses) are crucial for the change to energy crops. This paper helps fill gaps in the literature regarding why farmers decide to keep or change a production system. Based on a series of focus group interviews with Swedish farmers, the paper explores how farmers frame crop change decisions and what factors they consider most important. The main drivers of and barriers to growing energy crops, according to interviewees, are grouped and discussed in relation to four broad groups of motivational factors identified in the literature, i.e., values, legal conditions, knowledge, and economic factors. The paper ends by discussing whether some barriers could be overcome by policy changes at the national and European levels

  18. Assessment of non-cost barriers to renewable energy growth in EU Member States - AEON

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2010-05-15

    The accelerated deployment of renewable energy technologies has become a major priority for public policy makers across the globe. In the last two decades, most of the debate concerning the promotion of renewables was focused on the financial support schemes and on improving grid access conditions for renewable electricity. Of course, these are crucial issues which will continue to deserve serious attention in the future. However, during the last few years, the importance of tackling non-financial and non-technical barriers to renewable electricity, heat and transport has gained the attention of many policy analysts. In June 2009, Directive 2009/28/EC on the promotion of the use of energy from renewable sources, entered into force. The articles 13, 14 and 16 of the Directive contain a number of requirements for Member States to address or remove non-cost barriers to the increased deployment of renewable energy sources. This study presents among others an overview of these barriers in all EU Member States; their history, their impact on renewable energy deployment and suggestions for policy solutions, where feasible. Separate studies were carried out for 27 EU-countries and made available in a zip-file.

  19. Energy barriers for diffusion on heterogeneous stepped metal surfaces: Ag/Cu(110)

    Energy Technology Data Exchange (ETDEWEB)

    Sbiaai, K. [Laboratoire de la Physique de la Matière Condensée, Université Chouaib Doukkali, Faculté des sciences, El Jadida (Morocco); Boughaleb, Y., E-mail: yboughaleb@yahoo.fr [Laboratoire de la Physique de la Matière Condensée, Université Chouaib Doukkali, Faculté des sciences, El Jadida (Morocco); Academy Hassan II of Sciences and Technology, Rabat (Morocco); Ecole Normale Supérieure, Université Hassan II, Ain Chock, Casablanca (Morocco); Mazroui, M., E-mail: mazroui.m@gmail.com [Laboratoire de la Physique de la Matière Condensée (URAC 10), Université Hassan II Mohammedia, Faculté des Sciences Ben M' Sick, Casablanca (Morocco); Hajjaji, A. [Ecole Nationale des Sciences Appliquée, Université Chouaib Doukkali, El Jadida (Morocco); Kara, A. [Department of Physics, University of Central Florida (United States)

    2013-12-02

    In this paper we investigated the diffusion of Ag adatom by computing the energy barriers for many elementary diffusive processes which are likely to happen near to the step edge on Cu (110). The barriers are calculated by means of molecular dynamics simulation by using embedded atom potentials. The proximity to steps alters these barriers considerably, and very different results may be expected. In fact, our numerical calculations show that the diffusion via jump process along step edge is predominant for Ag/Cu(110) and the diffusion over the step occurs sometimes, but only via exchange mechanisms. The adatom diffusion across channels is difficult due to the high value of activation energy required (around 1 eV). Furthermore, we found the Ehrlich–Schwoebel barrier for diffusion around 120 meV in order to descend via exchange process and of the order of 170 meV via hopping mode. This aspect may have a strong influence on the growth character. In general our results suggest that, for our metal system, diffusion mechanism may be important for mass transport across the steps. Implications of these findings are discussed. - Highlights: • Study of adatom diffusion near the step edge • The diffusion along channel is enhanced through jump process. • Arrhenius law is satisfied for a wide range of temperature (310–600 K)

  20. Barriers to Incorporating Climate Change Science into High School and Community College Energy Course Offerings

    Science.gov (United States)

    Howell, C.

    2013-05-01

    In reviewing studies evaluating trends in greenhouse gasses, weather, climate and/or ecosystems, it becomes apparent that climate change is a reality. It has also become evident that the energy sector accounts for most of the greenhouse gas emissions with worldwide emissions of carbon dioxide increasing by 31 percent from 1990 to 2005, higher than in the previous thousands of years. While energy courses and topics are presented in high school and community college classes the topic of Climate Change Science is not always a part of the conversation. During the summer of 2011 and 2012, research undergraduates conducted interviews with a total of 39 national community college and 8 high school instructors who participated in a two week Sustainable Energy Education Training (SEET) workshop. Interview questions addressed the barriers and opportunities to the incorporation of climate change as a dimension of an energy/renewable energy curriculum. Barriers found included: there is not enough instruction time to include it; some school administrators including community members do not recognize climate change issues; quality information about climate change geared to students is difficult to find; and, most climate change information is too scientific for most audiences. A Solution to some barriers included dialogue on sustainability as a common ground in recognizing environmental changes/concerns among educators, administrators and community members. Sustainability discussions are already supported in school business courses as well as in technical education. In conclusion, we cannot expect climate change to dissipate without humans making more informed energy and environmental choices. With global population growth producing greater emissions resulting in increased climate change, we must include the topic of climate change to students in high school and community college classrooms, preparing our next generation of leaders and workforce to be equipped to find solutions

  1. Barriers to efficient use of energy in public higher education buildings - a case study

    Energy Technology Data Exchange (ETDEWEB)

    Martins, A. Gomes [Univ. de Coimbra (Portugal). INESC Coimbra; Paredes, Simao [Inst. Superior de Engenharia de Coimbra (Portugal)

    2003-07-01

    A pilot-study has been carried out in a sample of higher education public buildings in Portugal, aiming at the identification of several organisational and behavioural barriers to the efficient use of energy. The chosen approach embraced several aspects: Concerns of building owners and designers on efficiency, factors influencing designers motivations and decisions, building design performance evaluation; Institutional budget definition, legibility of energy items within the budget, accountancy management models, their influence on the stimuli provided to managers and staff regarding efficient use of energy; Existence, organisation and procedures used in maintenance of buildings and equipment; Behavioural patterns of several categories of building occupants - managers, administrative and technical staff, professors and students - as regards to efficiency of building and equipment use, to externalities of energy consumption, to the use of financial resources devoted to energy consumption. The pilot-study involved four institutions and required the collection of documentation on buildings design, equipment characteristics, energy consumption, buildings population, types of occupancy and activities, organisational structure and decision instances, funding mechanisms and sources, budget figures. Fieldwork involved a set of personal interviews to some categories of occupants and launching custom questionnaires to the remaining categories. Questionnaire design has been simultaneous with the development of data processing tools, for the sake of usefulness and readability of results. A wide set of barriers has been identified and classified, as documented in the paper, revealing a complex set of interdependencies, which ultimately require a continued effort for adequately influencing (yet not so complex) political decisions.

  2. Manifestations of the rotation and gravity of the Earth in high-energy physics experiments

    Science.gov (United States)

    Obukhov, Yuri N.; Silenko, Alexander J.; Teryaev, Oleg V.

    2016-08-01

    The inertial (due to rotation) and gravitational fields of the Earth affect the motion of an elementary particle and its spin dynamics. This influence is not negligible and should be taken into account in high-energy physics experiments. Earth's influence is manifest in perturbations in the particle motion, in an additional precession of the spin, and in a change of the constitutive tensor of the Maxwell electrodynamics. Bigger corrections are oscillatory, and their contributions average to zero. Other corrections due to the inhomogeneity of the inertial field are not oscillatory but they are very small and may be important only for the storage ring electric dipole moment experiments. Earth's gravity causes the Newton-like force, the reaction force provided by a focusing system, and additional torques acting on the spin. However, there are no observable indications of the electromagnetic effects due to Earth's gravity.

  3. International evaluation of Swedish research projects in the field of short rotation forestry for energy

    Energy Technology Data Exchange (ETDEWEB)

    Dawson, W.M. [N.I. Horticulture and Plant Breeding Station, Armagh (Ireland); Isebrands, J. [USDA Forest Service, North Central Forest Experiment Station, Rhinelander, WI (United States); Namkoong, G. [Univ. of British Columbia, Vancouver, BC (Canada). Dept. of Forest Sciences; Tahvanainen, J. [Univ. of Joensuu (Finland). Dept. of Biology

    1996-11-01

    The purpose of this evaluation was to inform NUTEK of the scientific quality of the research projects, as seen in an international context. The projects were therefore the main elements considered in the evaluation. The main basis of the evaluation was the scientific quality of the research and its relevance to NUTEK`s aims in the application of industrial research and development. The present report is based on the information contained in the written reports submitted by the grant holders, site visits and discussions between the grant holders and the Committee. The report first gives an overview and general recommendations concerning the overall programme in the field of Short Rotation Forestry for Energy. Thereafter, the 16 projects are evaluated separately

  4. Barriers and Potential Solutions for Energy Renovation of Buildings in Denmark

    Directory of Open Access Journals (Sweden)

    Niels I. Meyer

    2014-02-01

    Full Text Available Buildings account for a substantial part of the total energy consumption. In Denmark this number is about 40 % and this is approximately the same in most industrial countries. On this background there is an urgent need to develop strategies for reducing the energy demand in the building sector. Renovation of existing buildings must have high priority as houses often last for 50 to 100 years, while the time perspective for the desired transformation to low-energy houses is less than 30 years in order to mitigate global warming and avoid irreversible tipping-points. The only sustainable energy supply in the perspective of centuries is renewable energy provided by the sun and exploited in the form of solar heat, solar electricity (PVs, wind power, hydropower, wave power, and some types of biomass etc. A future dominating role of intermittent renewable sources requires new integrated systems thinking on both the supply and demand side for heat, electricity and transport. Implementing such Smart Energy Systems requires integrated strategic energy planning on the national and local level. With the fundamental changes in the energy supply technologies expected during the coming years, it is important to synchronize investments in energy conservation measures with investments in the supply side, in order to avoid overinvestment in supply systems and thus to minimize the total costs of the transformation to Smart Energy Systems. This paper highlights some of the most important barriers for renovation of existing buildings in Denmark and points to policies for overcoming these barriers. Some of the policies have been presented in the reports of a recent Danish research project (CEESA

  5. Barriers on the propagation of renewable energy sources and sustainable solid waste management practices in Greece.

    Science.gov (United States)

    Boemi, Sn; Papadopoulos, Am; Karagiannidis, A; Kontogianni, S

    2010-11-01

    Renewable energy sources (RES), excluding large hydroelectric plants, currently produce 4.21% of total electricity production in Greece. Even when considering the additional production from large hydroelectric plants, which accounts for some 7.8%, the distance to be covered towards the objective of 20% electricity produced from RES by 2010 and respectively towards 20% of total energy production by 2020 is discouraging. The potential, however, does exist; unfortunately so do serious barriers. On the other hand, solid waste management (SWM) is an issue that generates continuously increasing interest due to the extra amounts of solid waste generated; the lack of existing disposal facilities with adequate infrastructure and integrated management plans, also often accompanied by legislative and institutional gaps. However, socio-economic and public awareness problems are still met in the planning and implementation of RES and SWM projects, together with the lack of a complete national cadastre and a spatial development master plan, specifying areas eligible for RES and SWM development. Specific barriers occur for individual RES and the on-going inclusion of waste-derived renewable energy in the examined palette further increases the complexity of the entire issue. The consolidated study of this broad set of barriers was a main task of the present study which was carried out within the frame of a Hellenic-Canadian research project; the main results will be discussed herein.

  6. Collision-energy dependence of HD(nu'=1,j') product rotational distributions for the H + D2 reaction.

    Science.gov (United States)

    Koszinowski, Konrad; Goldberg, Noah T; Pomerantz, Andrew E; Zare, Richard N; Juanes-Marcos, Juan Carlos; Althorpe, Stuart C

    2005-08-01

    Product rotational distributions for the reaction H + D2 --> HD(nu'=1,j') + D have been measured for 16 collision energies in the range of 1.43 theory amount to approximately 10% for all collision energies sampled. No peculiarity is found for E(coll)=2.55 eV at which the system has sufficient energy to access the first HD2 electronically excited state.

  7. Final report. Renewable energy and energy efficiency in Mexico: Barriers and opportunities

    Energy Technology Data Exchange (ETDEWEB)

    Ashford, Mike

    2000-09-28

    The report describes the prospects for energy efficiency and greenhouse gas emissions reductions in Mexico, along with renewable energy potential. A methodology for developing emissions baselines is shown, in order to prepare project emissions reductions calculations. An application to the USIJI program was also prepared through this project, for a portfolio of energy efficiency projects.

  8. Systems and assemblies for transferring high power laser energy through a rotating junction

    Science.gov (United States)

    Norton, Ryan J.; McKay, Ryan P.; Fraze, Jason D.; Rinzler, Charles C.; Grubb, Daryl L.; Faircloth, Brian O.; Zediker, Mark S.

    2016-01-26

    There are provided high power laser devices and systems for transmitting a high power laser beam across a rotating assembly, including optical slip rings and optical rotational coupling assemblies. These devices can transmit the laser beam through the rotation zone in free space or within a fiber.

  9. Multinucleon transfer dynamics in heavy-ion collisions near Coulomb-barrier energies

    Science.gov (United States)

    Niu, Fei; Chen, Peng-Hui; Guo, Ya-Fei; Ma, Chun-Wang; Feng, Zhao-Qing

    2017-12-01

    Multinucleon transfer reactions near barrier energies have been investigated with a multistep model based on the dinuclear system (DNS) concept, in which the capture of two colliding nuclei, the transfer dynamics, and the deexcitation process of primary fragments are described by an analytical formula, diffusion theory, and a statistical model, respectively. The nucleon transfer takes place after forming the DNS and is coupled to the dissipation of relative motion energy and angular momentum by solving a set of microscopically derived master equations within the potential energy surface. Specific reactions of Ca,4840+124Sn , 40Ca(40Ar,58Ni)+232Th , 40Ca(58Ni)+238U , and Ca,4840(58Ni)+248Cm near barrier energies are investigated. It is found that fragments are produced by multinucleon transfer reactions with maximal yields along the β -stability line. The isospin relaxation is particularly significant in the process of fragment formation. The incident energy dependence of heavy target-like fragments in the reaction of 58Ni+248Cm is analyzed thoroughly.

  10. Barriers and Potential Solutions for Energy Renovation of Buildings in Denmark

    DEFF Research Database (Denmark)

    Meyer, Niels I; Mathiesen, Brian Vad; Hvelplund, Frede

    2014-01-01

    the supply and demand side for heat, electricity and transport. Implementing such Smart Energy Systems requires integrated strategic energy planning on the national and local level. With the fundamental changes in the energy supply technologies expected during the coming years, it is important to synchronize...... in the perspective of centuries is renewable energy provided by the sun and exploited in the form of solar heat, solar electricity (PVs), wind power, hydro power, wave power, and some types of biomass etc. A future dominating role of intermittent renewable sources requires new integrated systems thinking on both...... in Denmark and points to policies for overcoming these barriers. Some of the policies have been presented in the reports of a recent Danish research project (CEESA)....

  11. Calculating Transition Energy Barriers and Characterizing Activation States for Steps of Fusion.

    Science.gov (United States)

    Ryham, Rolf J; Klotz, Thomas S; Yao, Lihan; Cohen, Fredric S

    2016-03-08

    We use continuum mechanics to calculate an entire least energy pathway of membrane fusion, from stalk formation, to pore creation, and through fusion pore enlargement. The model assumes that each structure in the pathway is axially symmetric. The static continuum stalk structure agrees quantitatively with experimental stalk architecture. Calculations show that in a stalk, the distal monolayer is stretched and the stored stretching energy is significantly less than the tilt energy of an unstretched distal monolayer. The string method is used to determine the energy of the transition barriers that separate intermediate states and the dynamics of two bilayers as they pass through them. Hemifusion requires a small amount of energy independently of lipid composition, while direct transition from a stalk to a fusion pore without a hemifusion intermediate is highly improbable. Hemifusion diaphragm expansion is spontaneous for distal monolayers containing at least two lipid components, given sufficiently negative diaphragm spontaneous curvature. Conversely, diaphragms formed from single-component distal monolayers do not expand without the continual injection of energy. We identify a diaphragm radius, below which central pore expansion is spontaneous. For larger diaphragms, prior studies have shown that pore expansion is not axisymmetric, and here our calculations supply an upper bound for the energy of the barrier against pore formation. The major energy-requiring deformations in the steps of fusion are: widening of a hydrophobic fissure in bilayers for stalk formation, splay within the expanding hemifusion diaphragm, and fissure widening initiating pore formation in a hemifusion diaphragm. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  12. Optimization of voltage output of energy harvesters with continuous mechanical rotation extracted from human motion (Conference Presentation)

    Science.gov (United States)

    Rashid, Evan; Hamidi, Armita; Tadesse, Yonas

    2017-04-01

    With increasing popularity of portable devices for outdoor activities, portable energy harvesting devices are coming into spot light. The next generation energy harvester which is called hybrid energy harvester can employ more than one mechanism in a single device to optimize portion of the energy that can be harvested from any source of waste energy namely motion, vibration, heat and etc. In spite of few recent attempts for creating hybrid portable devices, the level of output energy still needs to be improved with the intention of employing them in commercial electronic systems or further applications. Moreover, implementing a practical hybrid energy harvester in different application for further investigation is still challenging. This proposal is projected to incorporate a novel approach to maximize and optimize the voltage output of hybrid energy harvesters to achieve a greater conversion efficiency normalized by the total mass of the hybrid device than the simple arithmetic sum of the individual harvesting mechanisms. The energy harvester model previously proposed by Larkin and Tadesse [1] is used as a baseline and a continuous unidirectional rotation is incorporated to maximize and optimize the output. The device harvest mechanical energy from oscillatory motion and convert it to electrical energy through electromagnetic and piezoelectric systems. The new designed mechanism upgrades the device in a way that can harvest energy from both rotational and linear motions by using magnets. Likewise, the piezoelectric section optimized to harvest at least 10% more energy. To the end, the device scaled down for tested with different sources of vibrations in the immediate environment, including machinery operation, bicycle, door motion while opening and closing and finally, human motions. Comparing the results from literature proved that current device has capability to be employed in commercial small electronic devices for enhancement of battery usage or as a backup

  13. Exchange self-energy and compressibility of multilayer graphene by wavefunction rotation method

    Science.gov (United States)

    Min, Hongki

    2014-03-01

    Multilayer graphene has chiral electronic structure which strongly depends on the stacking sequence. A fundamental issue is to understand the interplay between the chiral electronic structure and electron-electron interaction, and the exchange interaction is the leading-order correction to the electron-electron interaction. The exchange energy calculation of multilayer graphene, however, requires a large amount of computational cost, because of non-local nature of the exchange interaction and because of the absence of the analytic form of the wavefunction, which should be obtained self-consistently. We overcome this problem using the wavefunction rotation method, in which the angular part of the wavefunction is obtained analytically by attaching a phase factor that is determined by the stacking sequence, thus reducing the computational cost significantly. Using this method, we calculate the exchange self-energy and compressibility of multilayer graphene, and discuss the role of intralayer and interlayer exchanges. This research was supported by Basic Science Research Program through the National Research Foundation of Korea(NRF) funded by the Ministry of Education, Science and Technology(2012013963).

  14. Suppression of the centrifugal barrier effects in the off-energy-shell neutron+$^{17}$O interaction

    CERN Document Server

    Gulino, M; Tang, X D; Guardo, G L; Lamia, L; Cherubini, S; Bucher, B; Burjan, V; Couder, M; Davies, P; deBoer, R; Fang, X; Goldberg, V Z; Hons, Z; Kroha, V; Lamm, L; La Cognata, M; Li, C; Ma, C; Mrazek, J; Mukhamedzhanov, A M; Notani, M; OBrien, S; Pizzone, R G; Rapisarda, G G; Roberson, D; Sergi, M L; Tan, W; Thompson, I J; Wiescher, M

    2012-01-01

    The reaction $^{17}$O($n,\\alpha$)$^{14}$C was studied at energies from $E_{cm}=0$ to $E_{cm}=350$ keV using the quasi-free deuteron break-up in the three body reaction $^{17}$O$+d \\rightarrow \\alpha+ ^{14}$C$+p$, extending the Trojan Horse indirect method (THM) to neutron-induced reactions. It is found that the $^{18}$O excited state at $E^*=8.125 \\pm 0.002$ MeV observed in THM experiments is absent in the direct measurement because of its high centrifugal barrier. The angular distributions of the populated resonances have been measured for the first time. The results unambiguously indicate the ability of the THM to overcome the centrifugal barrier suppression effect and to pick out the contribution of the bare nuclear interaction.

  15. A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules.

    Science.gov (United States)

    Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergey N; Yachmenev, Andrey; Jensen, Per

    2017-01-18

    We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fullly quantum-mechanical variational approach. Test calculations for excited states of SO2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations.

  16. Canonical free-energy barrier of particle and polymer cluster formation.

    Science.gov (United States)

    Zierenberg, Johannes; Schierz, Philipp; Janke, Wolfhard

    2017-02-27

    A common approach to study nucleation rates is the estimation of free-energy barriers. This usually requires knowledge about the shape of the forming droplet, a task that becomes notoriously difficult in macromolecular setups starting with a proper definition of the cluster boundary. Here we demonstrate a shape-free determination of the free energy for temperature-driven cluster formation in particle as well as polymer systems. Combined with rigorous results on equilibrium droplet formation, this allows for a well-defined finite-size scaling analysis of the effective interfacial free energy at a fixed density. We first verify the theoretical predictions for the formation of a liquid droplet in a supersaturated particle gas by generalized-ensemble Monte Carlo simulations of a Lennard-Jones system. Going one step further, we then generalize this approach to cluster formation in a dilute polymer solution. Our results suggest an analogy with particle condensation, when the macromolecules are interpreted as extended particles.

  17. Potential and barrier study. Passive house and near-zero energy buildings; Potensial- og barrierestudie. Passivhus og naer nullenergibygninger

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    The main conclusion from the analysis is that the barriers to realize both passive and near zero-energy buildings are significant. In addition to being a mere economic assessment indicates that 30-70% of the technical potential is not profitable depending on energy price levels, the barriers is reducing the economic potential with approximately another half as a realistic market potential.(eb)

  18. Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction.

    Science.gov (United States)

    Zhang, Weiqing; Zhou, Yong; Wu, Guorong; Lu, Yunpeng; Pan, Huilin; Fu, Bina; Shuai, Quan; Liu, Lan; Liu, Shu; Zhang, Liling; Jiang, Bo; Dai, Dongxu; Lee, Soo-Ying; Xie, Zhen; Xie, Zeng; Braams, Bastiaan J; Bowman, Joel M; Collins, Michael A; Zhang, Dong H; Yang, Xueming

    2010-07-20

    Crossed molecular beam experiments and accurate quantum scattering calculations have been carried out for the polyatomic H + CD(4) --> HD + CD(3) reaction. Unprecedented agreement has been achieved between theory and experiments on the energy dependence of the integral cross section in a wide collision energy region that first rises and then falls considerably as the collision energy increases far over the reaction barrier for this simple hydrogen abstraction reaction. Detailed theoretical analysis shows that at collision energies far above the barrier the incoming H-atom moves so quickly that the heavier D-atom on CD(4) cannot concertedly follow it to form the HD product, resulting in the decline of reactivity with the increase of collision energy. We propose that this is also the very mechanism, operating in many abstraction reactions, which causes the differential cross section in the backward direction to decrease substantially or even vanish at collision energies far above the barrier height.

  19. Coarse-grained molecular dynamics study of membrane fusion: Curvature effects on free energy barriers along the stalk mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Kawamoto, Shuhei; Shinoda, Wataru, E-mail: w.shinoda@apchem.nagoya-u.ac.jp [Department of Applied Chemistry, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Klein, Michael L. [Institute for Computational Molecular Science, Temple University, SERC Building 1925 North 12th Street, Philadelphia, Pennsylvania 19122 (United States)

    2015-12-28

    The effects of membrane curvature on the free energy barrier for membrane fusion have been investigated using coarse-grained molecular dynamics (CG-MD) simulations, assuming that fusion takes place through a stalk intermediate. Free energy barriers were estimated for stalk formation as well as for fusion pore formation using the guiding potential method. Specifically, the three different geometries of two apposed membranes were considered: vesicle–vesicle, vesicle–planar, and planar–planar membranes. The free energy barriers for the resulting fusion were found to depend importantly on the fusing membrane geometries; the lowest barrier was obtained for vesicular membranes. Further, lipid sorting was observed in fusion of the mixed membranes of dimyristoyl phosphatidylcholine and dioleoyl phosphatidylethanolamine (DOPE). Specifically, DOPE molecules were found to assemble around the stalk to support the highly negative curved membrane surface. A consistent result for lipid sorting was observed when a simple continuum model (CM) was used, where the Helfrich energy and mixing entropy of the lipids were taken into account. However, the CM predicts a much higher free energy barrier than found using CG-MD. This discrepancy originates from the conformational changes of lipids, which were not considered in the CM. The results of the CG-MD simulations reveal that a large conformational change in the lipid takes place around the stalk region, which results in a reduction of free energy barriers along the stalk mechanism of membrane fusion.

  20. Coarse-grained molecular dynamics study of membrane fusion: Curvature effects on free energy barriers along the stalk mechanism.

    Science.gov (United States)

    Kawamoto, Shuhei; Klein, Michael L; Shinoda, Wataru

    2015-12-28

    The effects of membrane curvature on the free energy barrier for membrane fusion have been investigated using coarse-grained molecular dynamics (CG-MD) simulations, assuming that fusion takes place through a stalk intermediate. Free energy barriers were estimated for stalk formation as well as for fusion pore formation using the guiding potential method. Specifically, the three different geometries of two apposed membranes were considered: vesicle-vesicle, vesicle-planar, and planar-planar membranes. The free energy barriers for the resulting fusion were found to depend importantly on the fusing membrane geometries; the lowest barrier was obtained for vesicular membranes. Further, lipid sorting was observed in fusion of the mixed membranes of dimyristoyl phosphatidylcholine and dioleoyl phosphatidylethanolamine (DOPE). Specifically, DOPE molecules were found to assemble around the stalk to support the highly negative curved membrane surface. A consistent result for lipid sorting was observed when a simple continuum model (CM) was used, where the Helfrich energy and mixing entropy of the lipids were taken into account. However, the CM predicts a much higher free energy barrier than found using CG-MD. This discrepancy originates from the conformational changes of lipids, which were not considered in the CM. The results of the CG-MD simulations reveal that a large conformational change in the lipid takes place around the stalk region, which results in a reduction of free energy barriers along the stalk mechanism of membrane fusion.

  1. Coarse-grained molecular dynamics study of membrane fusion: Curvature effects on free energy barriers along the stalk mechanism

    Science.gov (United States)

    Kawamoto, Shuhei; Klein, Michael L.; Shinoda, Wataru

    2015-12-01

    The effects of membrane curvature on the free energy barrier for membrane fusion have been investigated using coarse-grained molecular dynamics (CG-MD) simulations, assuming that fusion takes place through a stalk intermediate. Free energy barriers were estimated for stalk formation as well as for fusion pore formation using the guiding potential method. Specifically, the three different geometries of two apposed membranes were considered: vesicle-vesicle, vesicle-planar, and planar-planar membranes. The free energy barriers for the resulting fusion were found to depend importantly on the fusing membrane geometries; the lowest barrier was obtained for vesicular membranes. Further, lipid sorting was observed in fusion of the mixed membranes of dimyristoyl phosphatidylcholine and dioleoyl phosphatidylethanolamine (DOPE). Specifically, DOPE molecules were found to assemble around the stalk to support the highly negative curved membrane surface. A consistent result for lipid sorting was observed when a simple continuum model (CM) was used, where the Helfrich energy and mixing entropy of the lipids were taken into account. However, the CM predicts a much higher free energy barrier than found using CG-MD. This discrepancy originates from the conformational changes of lipids, which were not considered in the CM. The results of the CG-MD simulations reveal that a large conformational change in the lipid takes place around the stalk region, which results in a reduction of free energy barriers along the stalk mechanism of membrane fusion.

  2. A Local Order Parameter-Based Method for Simulation of Free Energy Barriers in Crystal Nucleation.

    Science.gov (United States)

    Eslami, Hossein; Khanjari, Neda; Müller-Plathe, Florian

    2017-03-14

    While global order parameters have been widely used as reaction coordinates in nucleation and crystallization studies, their use in nucleation studies is claimed to have a serious drawback. In this work, a local order parameter is introduced as a local reaction coordinate to drive the simulation from the liquid phase to the solid phase and vice versa. This local order parameter holds information regarding the order in the first- and second-shell neighbors of a particle and has different well-defined values for local crystallites and disordered neighborhoods but is insensitive to the type of the crystal structure. The order parameter is employed in metadynamics simulations to calculate the solid-liquid phase equilibria and free energy barrier to nucleation. Our results for repulsive soft spheres and the Lennard-Jones potential, LJ(12-6), reveal better-resolved solid and liquid basins compared with the case in which a global order parameter is used. It is also shown that the configuration space is sampled more efficiently in the present method, allowing a more accurate calculation of the free energy barrier and the solid-liquid interfacial free energy. Another feature of the present local order parameter-based method is that it is possible to apply the bias potential to regions of interest in the order parameter space, for example, on the largest nucleus in the case of nucleation studies. In the present scheme for metadynamics simulation of the nucleation in supercooled LJ(12-6) particles, unlike the cases in which global order parameters are employed, there is no need to have an estimate of the size of the critical nucleus and to refine the results with the results of umbrella sampling simulations. The barrier heights and the nucleation pathway obtained from this method agree very well with the results of former umbrella sampling simulations.

  3. How does incomplete fusion show up at slightly above barrier energies?

    Directory of Open Access Journals (Sweden)

    Prasad R.

    2012-02-01

    Full Text Available Experimental results on the onset of incomplete fusion at slightly above barrier energies are discussed in this paper. Spin-distributions of evaporation residues populated via complete and/or incomplete fusion of 12C,16O (Elab ≈ 4–7 MeV with 169Tm have been measured to probe associated ℓ–values. Particle (Z=1,2 – γ – coincidence technique has been used for channel selection. Entirely different entry state spin populations have been observed during the de-excitation of complete and incomplete composites. The complete fusion residues are found to be strongly fed over a broad spin range. While, a narrow range feeding for only high spin states has been observed in case of incomplete fusion residues. In the present work, incomplete fusion is shown to be a promising tool to populate high spin states in final reaction products. For better insight into the onset and strength of incomplete fusion, the relative contributions of complete and incomplete fusion have been deduced from the analysis of excitation functions and forward recoil ranges. A significant fraction of ICF has been observed even at energy as low as ≈ 7% above the barrier. The relative strengths of complete and incomplete fusion deduced from the analysis of forward-recoil-ranges and excitation functions complement each other. All the available results are discussed in light of the Morgenstern’s mass-asymmetry systematics. Incomplete fusion fraction is found to be large for more mass-asymmetric systems for individual projectiles, which points towards the projectile structure effect on incomplete fusion fraction. Experimentally measured forward ranges of recoils complement the existence of incomplete fusion at slightly above barrier energies, where more than one linear-momentum-transfer components associated with full- and/or partial-fusion of projectile(s have been observed. Present results conclusively demonstrate the possibility to selectively populate high spin states

  4. Long-term day-and-night rotating shift work poses a barrier to the normalization of alanine transaminase.

    Science.gov (United States)

    Lin, Yu-Cheng; Hsieh, I-Chun; Chen, Pau-Chung

    2014-05-01

    To evaluate the impact of day-and-night rotating shift work (RSW) on liver health, we performed a retrospective analysis of the association between long-term RSW exposure and the normalization of plasma alanine transaminase (ALT) levels over a five-year period. The data from physical examinations, blood tests, abdominal sonographic examinations, personal histories, and occupational records were collected from a cohort of workers in a semiconductor manufacturing company. The sample population was divided into three subgroups for analysis, according to self-reported shift work status over the five-year interval: persistent daytime workers, workers exposed intermittently to RSW (i-RSW), and workers exposed persistently to RSW (p-RSW). Records were analyzed for 1196 male workers with an initial mean age of 32.5 years (SD 6.0 years), of whom 821 (68.7%) were identified as rotating shift workers, including 374 i-RSW (31.3%) and 447 p-RSW workers (37.4%). At the beginning of the follow-up, 275 were found to have elevated ALT (e-ALT): 25.1% daytime workers, 23.0% i-RSW workers, and 21.3% p-RSW workers (p = 0.098). Of those with e-ALT at the beginning, 101 workers showed normalized serum ALT levels at the end of five-year follow-up: 40 (10.7%) of 375 daytime workers, 32 (8.6%) of 374 i-RSW workers, and 29 (6.5%) of 447 p-RSW workers (p = 0.016). Compared with the workers having persistent e-ALT at the end of follow-up, the workers normalized serum ALT levels had significantly lesser exposures to RSW during follow-up. By performing multivariate logistic regression analyses, and comparing with the persistent daytime co-workers, after controlling for confounding variables (age, occupational factors, educational levels, lifestyle factors, metabolic syndrome, hepatovirus infection, and fatty liver), analysis indicated that the workers exposed to p-RSW were 46% less likely (OR, 0.54; 95% CI, 0.30-0.95; p = 0.03) to attain normal ALT levels within a five-year interval

  5. Renewable energy clusters recurring barriers to cluster development in eleven countries

    CERN Document Server

    Jaegersberg, Gudrun

    2017-01-01

    Taking eleven countries in Europe, Canada, South Africa, America, Latin America and Australia, this book discusses recurring barriers to cluster development in the renewable energy sector. The authors look at the real-world dynamics and tensions between stakeholders on the ground, with a particular focus on the relationships between SMEs and other actors. This trans-regional study is unique in its scale and scope, drawing on a decade of field research to show how by learning from the successes and failures of other clusters, costs and risk can be reduced. The book fills a significant gap in the literature for policymakers, managers and economic developers in a key market.

  6. Scattering of {sup 6}He at energies around the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-BenItez, A M [Departamento de Fisica Aplicada, Universidad de Huelva, E-21071 Huelva (Spain); Escrig, D [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Alvarez, M A G [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, E-41080 Sevilla (Spain)] [and others

    2005-10-01

    We have measured elastic cross sections of the scattering of {sup 6}He at E{sub Lab} = 14, 16, 17, 18 and 22 MeV on {sup 208}Pb in the angular ranges of 20 deg. - 64 deg. and 135 deg. - 170 deg. A significant amount of {sup 4}He events is found at energies well below the Coulomb barrier, that becomes dominant above it. Optical model calculations have been performed including a dynamic polarization potential. Very large imaginary diffuseness parameter is needed in order to describe the experimental distributions.

  7. Biogas crops grown in energy crop rotations: Linking chemical composition and methane production characteristics.

    Science.gov (United States)

    Herrmann, Christiane; Idler, Christine; Heiermann, Monika

    2016-04-01

    Methane production characteristics and chemical composition of 405 silages from 43 different crop species were examined using uniform laboratory methods, with the aim to characterise a wide range of crop feedstocks from energy crop rotations and to identify main parameters that influence biomass quality for biogas production. Methane formation was analysed from chopped and over 90 days ensiled crop biomass in batch anaerobic digestion tests without further pre-treatment. Lignin content of crop biomass was found to be the most significant explanatory variable for specific methane yields while the methane content and methane production rates were mainly affected by the content of nitrogen-free extracts and neutral detergent fibre, respectively. The accumulation of butyric acid and alcohols during the ensiling process had significant impact on specific methane yields and methane contents of crop silages. It is proposed that products of silage fermentation should be considered when evaluating crop silages for biogas production. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  8. Short rotation coppice culture of willows and poplars as energy crops on metal contaminated agricultural soils.

    Science.gov (United States)

    Ruttens, Ann; Boulet, Jana; Weyens, Nele; Smeets, Karen; Adriaensen, Kristin; Meers, Erik; Van Slycken, Stijn; Tack, Filip; Meiresonne, Linda; Thewys, Theo; Witters, Nele; Carleer, Robert; Dupae, Joke; Vangronsveld, Jaco

    2011-01-01

    Phytoremediation, more precisely phytoextraction, has been placed forward as an environmental friendly remediation technique, that can gradually reduce increased soil metal concentrations, in particular the bioavailable fractions. The aim of this study was to investigate the possibilities of growing willows and poplars under short rotation coppice (SRC) on an acid, poor, sandy metal contaminated soil, to combine in this way soil remediation by phytoextraction on one hand, and production of biomass for energy purposes on the other. Above ground biomass productivities were low for poplars to moderate for willows, which was not surprising, taking into account the soil conditions that are not very favorable for growth of these trees. Calculated phytoextraction efficiency was much longer for poplars than these for willows. We calculated that for phytoextraction in this particular case it would take at least 36 years to reach the legal threshold values for cadmium, but in combination with production of feedstock for bioenergy processes, this type of land use can offer an alternative income for local farmers. Based on the data of the first growing cycle, for this particular case, SRC of willows should be recommended.

  9. Driven diffusion against electrostatic or effective energy barrier across α-hemolysin

    Energy Technology Data Exchange (ETDEWEB)

    Ansalone, Patrizio [Istituto Nazionale di Ricerca Metrologica, Strada delle Cacce 91, Torino, IT-10135 (Italy); Chinappi, Mauro [Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Via Regina Elena 291, 00161 Roma (Italy); Rondoni, Lamberto [Scienze Matematiche, Politecnico di Torino Corso Duca degli Abruzzi 24, Torino, IT-10129, Italy and INFN, Sez. di Torino, Via P. Giuria 1, Torino IT-10125 (Italy); Cecconi, Fabio, E-mail: fabio.cecconi@roma1.infn.it [CNR-Istituto dei Sistemi Complessi UoS “Sapienza,” Via dei Taurini 19, 00185 Roma (Italy)

    2015-10-21

    We analyze the translocation of a charged particle across an α-Hemolysin (αHL) pore in the framework of a driven diffusion over an extended energy barrier generated by the electrical charges of the αHL. A one-dimensional electrostatic potential is extracted from the full 3D solution of the Poisson’s equation. We characterize the particle transport under the action of a constant forcing by studying the statistics of the translocation time. We derive an analytical expression of translocation time average that compares well with the results from Brownian dynamic simulations of driven particles over the electrostatic potential. Moreover, we show that the translocation time distributions can be perfectly described by a simple theory which replaces the true barrier by an equivalent structureless square barrier. Remarkably, our approach maintains its accuracy also for low-applied voltage regimes where the usual inverse-Gaussian approximation fails. Finally, we discuss how the comparison between the simulated time distributions and their theoretical prediction results to be greatly simplified when using the notion of the empirical Laplace transform technique.

  10. To Re-Explore the Causality between Barriers to Renewable Energy Development: A Case Study of Wind Energy

    Directory of Open Access Journals (Sweden)

    Yen-Ching Lin

    2013-08-01

    Full Text Available The development of wind energy in developing countries has its limitations. This study adapted quantitative approaches to explore the causality relationships among these barriers. It was found that different areas of obstacles did affect one another; by barrier inference we learned that a lack of national policy caused other disorders, and that the occurrence of these disorders eventually resulted either directly or indirectly in high investment costs. Thus, the question of how to effectively reduce the investment cost of wind energy development is the most important issue to developing countries. Furthermore, the results of this study clarified that wind intermittency would not be the main reason hindering short and mid-term wind power development. However, from a long-term perspective, the impact of intermittency still cannot be treated lightly, as it was found that for each standard deviation unit improvement of the intermittency, the investment cost-effectiveness improvement increased by 0.185 σ, which was 1.78 times higher than the impact from national policies. Therefore, aside from strengthening the national policies in establishing a suitable institutional framework, we recommend that policy-makers should also emphasize the establishment of an economic assessment of available sites, a detailed wind resource assessment and improved forecasting of technical applications.

  11. Energy-related optimal control accounts for gravitational load: comparing shoulder, elbow, and wrist rotations.

    Science.gov (United States)

    Gaveau, Jérémie; Berret, Bastien; Demougeot, Laurent; Fadiga, Luciano; Pozzo, Thierry; Papaxanthis, Charalambos

    2014-01-01

    We permanently deal with gravity force. Experimental evidences revealed that moving against gravity strongly differs from moving along the gravity vector. This directional asymmetry has been attributed to an optimal planning process that optimizes gravity force effects to minimize energy. Yet, only few studies have considered the case of vertical movements in the context of optimal control. What kind of cost is better suited to explain kinematic patterns in the vertical plane? Here, we aimed to understand further how the central nervous system (CNS) plans and controls vertical arm movements. Our reasoning was the following: if the CNS optimizes gravity mechanical effects on the moving limbs, kinematic patterns should change according to the direction and the magnitude of the gravity torque being encountered in the motion. Ten subjects carried out single-joint movements, i.e., rotation around the shoulder (whole arm), elbow (forearm), and wrist (hand) joints, in the vertical plane. Joint kinematics were analyzed and compared with various theoretical optimal model predictions (minimum absolute work-jerk, jerk, torque change, and variance). We found both direction-dependent and joint-dependent variations in several kinematic parameters. Notably, directional asymmetries decreased according to a proximodistal gradient. Numerical simulations revealed that our experimental findings could be attributed to an optimal motor planning (minimum absolute work-jerk) that integrates the direction and the magnitude of gravity torque and minimizes the absolute work of forces (energy-related cost) around each joint. Present results support the general idea that the CNS implements optimal solutions according to the dynamic context of the action.

  12. Barriers to Building Energy Efficiency (BEE) promotion: A transaction costs perspective

    Science.gov (United States)

    Qian Kun, Queena

    Worldwide, buildings account for a surprisingly high 40% of global energy consumption, and the resulting carbon footprint significantly exceeds that of all forms of transportation combined. Large and attractive opportunities exist to reduce buildings' energy use at lower costs and higher returns than in other sectors. This thesis analyzes the concerns of the market stakeholders, mainly real estate developers and end-users, in terms of transaction costs as they make decisions about investing in Building Energy Efficiency (BEE). It provides a detailed analysis of the current situation and future prospects for BEE adoption by the market's stakeholders. It delineates the market and lays out the economic and institutional barriers to the large-scale deployment of energy-efficient building techniques. The aim of this research is to investigate the barriers raised by transaction costs that hinder market stakeholders from investing in BEES. It explains interactions among stakeholders in general and in the specific case of Hong Kong as they consider transaction costs. It focuses on the influence of transaction costs on the decision-making of the stakeholders during the entire process of real estate development. The objectives are: 1) To establish an analytical framework for understanding the barriers to BEE investment with consideration of transaction costs; 2) To build a theoretical game model of decision making among the BEE market stakeholders; 3) To study the empirical data from questionnaire surveys of building designers and from focused interviews with real estate developers in Hong Kong; 4) To triangulate the study's empirical findings with those of the theoretical model and analytical framework. The study shows that a coherent institutional framework needs to be established to ensure that the design and implementation of BEE policies acknowledge the concerns of market stakeholders by taking transaction costs into consideration. Regulatory and incentive options

  13. Determination of charge transport activation energy and injection barrier in organic semiconductor devices

    Science.gov (United States)

    Züfle, S.; Altazin, S.; Hofmann, A.; Jäger, L.; Neukom, M. T.; Brütting, W.; Ruhstaller, B.

    2017-09-01

    Charge carrier transport in organic semiconductor devices is thermally activated with characteristic activation energies in the range of 0.2-0.6 eV, leading to strongly temperature-dependent behaviour. For designing efficient organic semiconductor materials and devices, it is therefore indispensable to understand the origin of these activation energies. We propose that in bilayer organic light-emitting diodes (OLEDs) employing a polar electron transport layer, as well as in metal-insulator-semiconductor (MIS) devices, the hole injection barrier Einj and the hole mobility activation energy Eμ can be decoupled from each other if temperature-dependent capacitance-frequency (C-f-T) and MIS-CELIV (charge extraction by linearly increasing voltage) experiments are combined. While the C-f-T signal contains information of both injection and transport, the CELIV current is expected to be insensitive to the electrode injection properties. We employ numerical drift-diffusion simulations to investigate the accuracy of this analytical parameter extraction approach and to develop criteria for its validity. We show that the implicit assumption of constant charge density and field profiles leads to systematic errors in determining the activation energies. Thus, one should be aware of the intrinsic limitations of the analytical Arrhenius fit, and for more accurate parameter determination a full drift-diffusion modelling is advised. Applying the analytical method to a standard bilayer OLED, we find that the total activation energy of 0.5 eV for the hole current can be split into contributions of ≈0.25 eV each for injection barrier and mobility. Finally, we also discuss the broader applicability of this method for other device stacks and material combinations.

  14. Analysis of Upper Bound Power Output for a Wrist-Worn Rotational Energy Harvester from Real-World Measured Inputs

    Science.gov (United States)

    Xue, T.; Ma, X.; Rahn, C.; Roundy, S.

    2014-11-01

    Energy harvesting from human motion addresses the growing need for battery-free health and wellness sensors in wearable applications. The major obstacles to harvesting energy in such applications are low and random frequencies due to the nature of human motion. This paper presents a generalized rotational harvester model in 3 dimensions to determine the upper bound of power output from real world measured data. Simulation results indicate much space for improvement on power generation comparing to existing devices. We have developed a rotational energy harvester for human motion that attempts to close the gap between theoretical possibility and demonstrated devices. Like previous work, it makes use of magnetically plucked piezoelectric beams. However, it more fully utilizes the space available and has many degrees of freedom available for optimization. Finally we present a prototype harvester based on the coupled harvester model with preliminary experimental validation.

  15. [Vibrational to rotational energy transfer between CsH (Chi1 Sigma+, nu > or = 15) and CO2].

    Science.gov (United States)

    Dai, Kang; Wang, Shu-Ying; Liu, Jing; Shen, Yi-Fan

    2012-11-01

    The quenching of highly vibrational excited CsH through collisions with a 500 K bath of CO2 was investigated using the laser spectroscopy technique. CsH was formed by the Cs(7P)+H2 reaction. The pulse laser prepared CsH in the highly vibrational levels. Laser induced fluorescence was used to detect collisionally relaxed CsH. The relaxation rate coefficient of CsH (nu" = 21) with CO2 is 10 times larger than that of CsH(nu" = 15). Relaxation of CsH(nu") with H2 was also investigated. The mass effect on the collisional relaxation rate coefficients is strong. The observed collisional relaxation rate coefficients of H2 are bigger than those of CO2. Energy gain into CO2 resulting from collisions with excited CsH was probed using laser overtone spectroscopy technique. Distributions of nascent CO2 rotational population in the ground (00(0)0) state were determined. For CsH excited at nu" = 15, the scattered CO2 molecules have a rotational temperature of T(rot) = (605 +/- 50) K. For excitation at nu" = 21, the CO2 rotational temperature is T(rot) = (780 +/- 70) K. Based on the rotational temperatures, the average change in the CO2 rotational energy has a stronger dependence on the CsH initial energy. Using the ambient cell temperature, nu = 21 -2. 7 nu" = 15 was found. The nascent distributions of recoil velocities for collisions were determined from stimulated absorption line profiles of individual CO2 rotational states. For nu" = 15, scattered CO2 molecules with J = 36-48 have center of mass translational energy of = 600-972 cm(-1). For nu" = 21, the values increase to = 972-1 351 cm(-1). Based on propensity rules for collisions that favor small changes in energy and angular momentum, it is reasonable that low-J CO2 states will have lower translational energy than the high-J states. Extrapolating nu" = 15 and 21 data to the initial relative translational energy of E0 = 520 cm(-1) gives an estimate of the threshold states J(th) = 34 and 24, respectively. The onset of large

  16. Universal trend for heavy-ion total reaction cross sections at energies above the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Tavares, O.A.P.; Medeiros, E.L., E-mail: emil@cbpf.b [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Morcelle, V. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica

    2010-06-15

    Heavy-ion total reaction cross section measurements for more than one thousand one hundred reaction cases covering 61 target nuclei in the range {sup 6}Li-{sup 238}U, and 158 projectile nuclei from {sup 2}H up to {sup 84}Kr (mostly exotic ones) have been analysed in a systematic way by using an empirical, three-parameter formula which is applicable to cases for projectile kinetic energies above the Coulomb barrier. The analysis has shown that the average total nuclear binding energy per nucleon of the interacting nuclei and their radii are the chief quantities which describe the cross section patterns. A great number of cross section data (87%) has been quite satisfactorily reproduced by the proposed formula, therefore total reaction cross section predictions for new, not yet experimentally investigated reaction cases can be obtained within 25 percent (or much less) of uncertainty (author)

  17. A Review of Barriers to and Opportunities for the Integration of Renewable Energy in the Southeast

    Energy Technology Data Exchange (ETDEWEB)

    McConnell, Ben W [ORNL; Hadley, Stanton W [ORNL; Xu, Yan [ORNL

    2011-08-01

    The objectives of this study were to prepare a summary report that examines the opportunities for and obstacles to the integration of renewable energy resources in the Southeast between now and the year 2030. The report, which is based on a review of existing literature regarding renewable resources in the Southeast, includes the following renewable energy resources: wind, solar, hydro, geothermal, biomass, and tidal. The evaluation was conducted by the Oak Ridge National Laboratory for the Energy Foundation and is a subjective review with limited detailed analysis. However, the report offers a best estimate of the magnitude, time frame, and cost of deployment of renewable resources in the Southeast based upon the literature reviewed and reasonable engineering and economic estimates. For the purposes of this report, the Southeast is defined as the states of Alabama, Arkansas, Florida, Georgia, Kentucky, Louisiana, Mississippi, North Carolina, South Carolina, Tennessee, Virginia, and West Virginia. In addition, some aspects of the report (wind and geothermal) also consider the extended Southeast, which includes Maryland, Missouri, Oklahoma, and Texas. A description of the existing base of renewable electricity installations in the region is given for each technology considered. Where available, the possible barriers and other considerations regarding renewable energy resources are listed in terms of availability, investment and maintenance costs, reliability, installation requirements, policies, and energy market. As stated above, the report is a comprehensive review of renewable energy resources in the southeastern region of United States based on a literature study that included information obtained from the Southern Bio-Power wiki, sources from the Energy Foundation, sources available to ORNL, and sources found during the review. The report consists of an executive summary, this introductory chapter describing report objectives, a chapter on analysis methods and

  18. Zn-doping effect on the energy barrier to magnetization reversal in superparamagnetic nickel ferrite nanoparticles

    Science.gov (United States)

    Elizalde Galindo, J. T.; Adair, A. H.; Botez, C. E.; Corral Flores, V.; Bueno Baques, D.; Fuentes Cobas, L.; Matutes-Aquino, J. A.

    2007-06-01

    Measurements of ac-susceptibility and dc-magnetization were carried out on samples of Ni1-xZnxFe2O4 nanoparticles (x=0, 0.25, 0.5, 0.75) with average diameters ≈7 nm. Values of the superparamagnetic blocking temperature T¯B were obtained from the characteristic temperature behavior of the imaginary susceptibility χimag. An Arrhenius-type law, which accurately describes the relationship between the observation time τobs and the blocking temperature, was used to determine the effective energy barrier to magnetization reversal Ueff. A Zn-content dependence of the energy barrier is observed, where Ueff changes little for 0≤x≤0.25, it peaks at x=0.5, and decreases back upon further Zn-doping. The large increase of Ueff at x=0.5 is attributed to an enhanced magnetic anisotropy induced by the crossover between two spatial arrangements of spins in the A and B sub-lattices of the ferrimagnetic inverse spinel.

  19. Upper limits of particle emission from high-energy collision and reaction near a maximally rotating Kerr black hole

    OpenAIRE

    Harada, Tomohiro; Nemoto, Hiroya; Miyamoto, Umpei

    2012-01-01

    The center-of-mass energy of two particles colliding near the horizon of a maximally rotating black hole can be arbitrarily high if the angular momentum of either of the incident particles is fine-tuned, which we call a critical particle. We study particle emission from such high-energy collision and reaction in the equatorial plane fully analytically. We show that the unconditional upper limit of the energy of the emitted particle is given by 218.6% of that of the injected critical particle,...

  20. The future of transportation in sustainable energy systems: Opportunities and barriers in a clean energy transition

    DEFF Research Database (Denmark)

    Dominkovic, Dominik Franjo; Bačeković, Ivan; Pedersen, Allan Schrøder

    2017-01-01

    and energy resources. Especially challenging transition is envisaged for heavy-weight, long-range vehicles and airplanes. A detailed literature review was carried out in order to detect the current state of the research on clean transport sector, as well as to point out the gaps in the research. In order...... to calculate the resources needed for the transition towards completely renewable transport sector, four main alternatives to the current fossil fuel systems were assessed and their potential was quantified, i.e. biofuels, hydrogen, synthetic fuels (electrofuels) and electricity. Results showed that electric...

  1. Normalized lift: an energy interpretation of the lift coefficient simplifies comparisons of the lifting ability of rotating and flapping surfaces.

    Directory of Open Access Journals (Sweden)

    Phillip Burgers

    Full Text Available For a century, researchers have used the standard lift coefficient C(L to evaluate the lift, L, generated by fixed wings over an area S against dynamic pressure, ½ρv(2, where v is the effective velocity of the wing. Because the lift coefficient was developed initially for fixed wings in steady flow, its application to other lifting systems requires either simplifying assumptions or complex adjustments as is the case for flapping wings and rotating cylinders.This paper interprets the standard lift coefficient of a fixed wing slightly differently, as the work exerted by the wing on the surrounding flow field (L/ρ·S, compared against the total kinetic energy required for generating said lift, ½v(2. This reinterpreted coefficient, the normalized lift, is derived from the work-energy theorem and compares the lifting capabilities of dissimilar lift systems on a similar energy footing. The normalized lift is the same as the standard lift coefficient for fixed wings, but differs for wings with more complex motions; it also accounts for such complex motions explicitly and without complex modifications or adjustments. We compare the normalized lift with the previously-reported values of lift coefficient for a rotating cylinder in Magnus effect, a bat during hovering and forward flight, and a hovering dipteran.The maximum standard lift coefficient for a fixed wing without flaps in steady flow is around 1.5, yet for a rotating cylinder it may exceed 9.0, a value that implies that a rotating cylinder generates nearly 6 times the maximum lift of a wing. The maximum normalized lift for a rotating cylinder is 1.5. We suggest that the normalized lift can be used to evaluate propellers, rotors, flapping wings of animals and micro air vehicles, and underwater thrust-generating fins in the same way the lift coefficient is currently used to evaluate fixed wings.

  2. Normalized lift: an energy interpretation of the lift coefficient simplifies comparisons of the lifting ability of rotating and flapping surfaces.

    Science.gov (United States)

    Burgers, Phillip; Alexander, David E

    2012-01-01

    For a century, researchers have used the standard lift coefficient C(L) to evaluate the lift, L, generated by fixed wings over an area S against dynamic pressure, ½ρv(2), where v is the effective velocity of the wing. Because the lift coefficient was developed initially for fixed wings in steady flow, its application to other lifting systems requires either simplifying assumptions or complex adjustments as is the case for flapping wings and rotating cylinders.This paper interprets the standard lift coefficient of a fixed wing slightly differently, as the work exerted by the wing on the surrounding flow field (L/ρ·S), compared against the total kinetic energy required for generating said lift, ½v(2). This reinterpreted coefficient, the normalized lift, is derived from the work-energy theorem and compares the lifting capabilities of dissimilar lift systems on a similar energy footing. The normalized lift is the same as the standard lift coefficient for fixed wings, but differs for wings with more complex motions; it also accounts for such complex motions explicitly and without complex modifications or adjustments. We compare the normalized lift with the previously-reported values of lift coefficient for a rotating cylinder in Magnus effect, a bat during hovering and forward flight, and a hovering dipteran.The maximum standard lift coefficient for a fixed wing without flaps in steady flow is around 1.5, yet for a rotating cylinder it may exceed 9.0, a value that implies that a rotating cylinder generates nearly 6 times the maximum lift of a wing. The maximum normalized lift for a rotating cylinder is 1.5. We suggest that the normalized lift can be used to evaluate propellers, rotors, flapping wings of animals and micro air vehicles, and underwater thrust-generating fins in the same way the lift coefficient is currently used to evaluate fixed wings.

  3. Computing energy barriers for rare events from hybrid quantum/classical simulations through the virtual work principle

    Science.gov (United States)

    Swinburne, Thomas D.; Kermode, James R.

    2017-10-01

    Hybrid quantum/classical techniques can flexibly couple ab initio simulations to an empirical or elastic medium to model materials systems that cannot be contained in small periodic supercells. However, due to electronic nonlocality, a total energy cannot be defined, meaning energy barriers cannot be calculated. We provide a general solution using the principle of virtual work in a modified nudged elastic band algorithm. Our method enables ab initio calculations of the kink formation energy for 〈100 〉 edge dislocations in molybdenum and lattice trapping barriers to brittle fracture in silicon.

  4. Resonant transitions between split energy levels triple-barrier nanostructures and their application perspectives in submillimeter-wave devices

    CERN Document Server

    Golant, E I

    2002-01-01

    A mathematical model has been developed for electronic coherent tunneling through the triple-barrier quantum-dimensional semiconductor heterostructures in the terahertz electric field. Using this model the frequency dependences of the negative dynamic conductivity for triple-barrier structures with coherent electron tunneling through the split energy levels are investigated. It has been shown that these structures can be employed in far-infrared coherent quantum lasers, the wave length being 600 mu m (5 THz)

  5. a Semi-Classical Approach to the Calculation of Highly Excited Rotational Energies for Asymmetric-Top Molecules

    Science.gov (United States)

    Schmiedt, Hanno; Schlemmer, Stephan; Yurchenko, Sergei N.; Yachmenev, Andrey; Jensen, Per

    2017-06-01

    We report a new semi-classical method to compute highly excited rotational energy levels of an asymmetric-top molecule. The method forgoes the idea of a full quantum mechanical treatment of the ro-vibrational motion of the molecule. Instead, it employs a semi-classical Green's function approach to describe the rotational motion, while retaining a quantum mechanical description of the vibrations. Similar approaches have existed for some time, but the method proposed here has two novel features. First, inspired by the path integral method, periodic orbits in the phase space and tunneling paths are naturally obtained by means of molecular symmetry analysis. Second, the rigorous variational method is employed for the first time to describe the molecular vibrations. In addition, we present a new robust approach to generating rotational energy surfaces for vibrationally excited states; this is done in a fully quantum-mechanical, variational manner. The semi-classical approach of the present work is applied to calculating the energies of very highly excited rotational states and it reduces dramatically the computing time as well as the storage and memory requirements when compared to the fully quantum-mechanical variational approach. Test calculations for excited states of SO_2 yield semi-classical energies in very good agreement with the available experimental data and the results of fully quantum-mechanical calculations. We hope to be able to present at the meeting also semi-classical calculations of transition intensities. See also the open-access paper Phys. Chem. Chem. Phys. 19, 1847-1856 (2017). DOI: 10.1039/C6CP05589C

  6. Tuneable energy barriers in tetrairon(III) single-molecule magnets

    Energy Technology Data Exchange (ETDEWEB)

    Cornia, A. E-mail: acornia@unimor.it; Fabretti, A.C.; Garrisi, P.; Mortalo, C.; Bonacchi, D.; Sessoli, R.; Sorace, L.; Barra, A.-L.; Wernsdorfer, W

    2004-05-01

    The tetrairon(III) clusters Fe{sub 4}(L){sub 2}(dpm){sub 6} where Hdpm=dipivaloylmethane and H{sub 3}L=MeC(CH{sub 2}OH){sub 3} or PhC(CH{sub 2}OH){sub 3} have been obtained by site-specific replacement of the six methoxide bridges in Fe{sub 4}(OMe){sub 6}(dpm){sub 6}. As compared with the parent compound, the new clusters show a much larger anisotropy in the S=5 ground spin state (D/k{sub B}{approx}-0.6 K vs. -0.3 K) and a higher energy barrier to the reversal of the magnetization.

  7. Investigation of {sup 17}F+p elastic scattering at near-barrier energies

    Energy Technology Data Exchange (ETDEWEB)

    El-Azab Farid, M. [Assiut University, Physics Department, Assiut (Egypt); Ibraheem, Awad A. [Al-Azhar University, Physics Department, Assiut (Egypt); King Khalid University, Physics Department, Abha (Saudi Arabia); Al-Hajjaji, Arwa S. [Taiz University, Physics Department, Taiz (Yemen)

    2015-10-15

    The {sup 17}F +p elastic scattering at two near-barrier energies of 3.5 and 4.3 MeV/nucleon, have been analyzed in the framework of the single folding approach. The folded potentials are constructed by folding the density-dependent (DDM3Y) effective nucleon-nucleon interaction over the nuclear density of the one-proton halo nucleus {sup 17}F. Two versions of the density are considered. In addition, two versions of the one-nucleon knock-on exchange potentials are introduced to construct the real microscopic potentials. The derived potentials supplemented by phenomenological Woods-Saxon imaginary and spin-orbit potentials produced excellent description of the differential elastic scattering cross sections at the higher energy without need to introduce any renormalization. At the lower energy, however, in order to successfully reproduce the data, it is necessary to reduce the strength of the constructed real DDM3Y potential by about 25% of its original value. Furthermore, good agreement with data is obtained using the extracted microscopic DDM3Y potentials for both real and imaginary parts. Moreover, the interesting notch test is applied to investigate the sensitivity of the elastic scattering cross section to the radial distribution of the constructed microscopic potentials. The extracted reaction (absorption) cross sections are, also, investigated. (orig.)

  8. Short Rotation Forestry (SRF in a Mediterranean Environment Under Limited Energy Inputs

    Directory of Open Access Journals (Sweden)

    Stella Lovelli

    2010-12-01

    Full Text Available The aim of this work is comparing the two year performance (diameter, total height and mortality of twenty tree and shrub species in a semi arid environment. The research also wants to supply recommendation on the agronomic cropping techniques in areas where rainfall is the main limiting factor and water use is strictly limited. Woody biomass is gaining increasing importance for energy production in Italy. During the last five years, roughly 5000 ha of Short Rotation Forestry (SRF have been planted, mostly in northern Italy, especially using poplar clones. However, in Southern Italy, due to the poor rainfall and the lack of knowledge existing on the species to use, few groves have been established. The studied groves were set in December 2005 in a Mediterranean area where the total year rainfall is not higher than 600 mm (mostly in autumn and winter. Twenty species (Salix cinerea, Ulmus carpinifolia, Corylus avellana, Spartium junceum, Acer saccharinum, Morus alba, Saphora japonica, Eleagnus angustifolia, Fraxinus angustifolia (var oxicarpa, Sambucus nigra, Robinia pseudoacacia, Populus nigra, Albizia julibrissis, Populus alba, Salix alba, Ailanthus altissima, Alnus cordata, Ficus carica, Eucalyptus camaldulensis, Celtis australis were planted in “collection” plots and set in singular plots on single rows (3 m X 0.5 m spacing. Six species (R. pseudoacacia, P. nigra, P. alba, S. nigra, E. camaldulensis, and A. altissima were planted in eighteen random “experimental” split-plots, using single and twin rows (0.5 m spacing between plants. Plots had a rectangular plant spacing (3 m between singular and twin rows, 0.5 m on each row. Plant density was roughly 6670 cuttings ha-1 in “collection” plots with singular rows and 10950 cuttings ha-1 in “experimental” plots using single and twin rows. The expected harvest interval ranges from 2 to 5 years, depending on the first results. In the “collection” plots, the first results showed

  9. Turbulence statistics and energy budget in rotating Rayleigh-Bénard convection

    NARCIS (Netherlands)

    Kunnen, R.P.J.; Geurts, Bernardus J.; Clercx, H.J.H.

    The strongly-modified turbulence statistics of Rayleigh–Bénard convection subject to various rotation rates is addressed by numerical investigations. The flow is simulated in a domain with periodic boundary conditions in the horizontal directions, and confined vertically by parallel no-slip

  10. Financing renewable energy in developing countries. Drivers and barriers for private finance in sub-Saharan Africa

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-02-15

    The focus of this report is to identify and portray current barriers to the scaling up of private investment and finance for electricity generation from renewable energy sources in the sub-Saharan region. Best practice in tackling these barriers is identified, partly from a literature review but especially from the results of a survey conducted among 36 financial institutions that are UNEP Finance Initiative members and two non-member banks (all survey respondents have experience in the field of energy infrastructure finance). Promising avenues in the areas of local policy reform, incentive mechanisms and international de-risking instruments are highlighted. In particular, this report addresses the following questions: (a) Why are sub-Saharan Africa and developing countries elsewhere failing to expand electricity generation from renewable sources? What are the barriers to such expansion? What is keeping the risk-return profile of renewable energy investments in sub-Saharan Africa unattractive and projects commercially unviable?; (b) What have been the experiences of private sector lenders and investors in the area of renewable energy projects in developing countries? What barriers and drivers have they encountered, and how can these experiences be of use in sub-Saharan Africa?; (c) What can be learned from the modest but encouraging successes of a few sub-Saharan African countries? Can these results be replicated? What was done in these countries to improve the risk-return profile of renewable energy and unlock private finance?.

  11. US-China Clean Energy Research Center on Building Energy Efficiency: Materials that Improve the Cost-Effectiveness of Air Barrier Systems

    Energy Technology Data Exchange (ETDEWEB)

    Hun, Diana E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-12-01

    The US–China Clean Energy Research Center (CERC) was launched in 2009 by US Energy Secretary Steven Chu, Chinese Minister of Science and Technology Wan Gang, and Chinese National Energy Agency Administrator Zhang Guobao. This 5-year collaboration emerged from the fact that the United States and China are the world’s largest energy producers, energy consumers, and greenhouse gas emitters, and that their joint effort could have significant positive repercussions worldwide. CERC’s main goal is to develop and deploy clean energy technologies that will help both countries meet energy and climate challenges. Three consortia were established to address the most pressing energy-related research areas: Advanced Coal Technology, Clean Vehicles, and Building Energy Efficiency (BEE). The project discussed in this report was part of the CERC-BEE consortia; its objective was to lower energy use in buildings by developing and evaluating technologies that improve the cost-effectiveness of air barrier systems for building envelopes.

  12. Risk assessment in a foundry unit by energy trace and barrier analysis method (ETBA

    Directory of Open Access Journals (Sweden)

    S.A. Ayati

    2010-01-01

    Full Text Available Background and aimsAs a Development of Industrial process, human, environment,equipment, material and validity of system has been exposed to hazardous conditions. Regards of32.3 percent of occupations in industries, this study focused on risk assessment of foundry unit byenergy trace and barrier analysis (ETBA method and presented approaches to control of accident.Methodsthe recent study is as a case study one to risk assessment in a foundry unit in Qazvinindustrial city in1387. In this study risks were founded by ETBA method and evaluated by MILSTD-882B. Data were collected by direct observations, interview with workers and supervisorand engineers, walking-talking through method, documents investigation of operationalprocessors, preventive maintenances, equipment technical properties, accidental and medicaldocuments. Finally ETBA worksheets completed.Findingstotally 154 risks has been found. 40 from total are been unacceptable risk, 68unfavorable and also 46 acceptable but with remediation action. Casting workshop had risks morethan other workshops (with 74 identified risks.Potential and heat energies were founded as mosthazardous energies, with respectively 51 and 38 risk cases.ConclusionThis study recommended to be done actions for identification and control risk,such as: safety training, occupation training, preventive maintenance, contract safety, safetycommunication and safety audit group.

  13. Installed Cost Benchmarks and Deployment Barriers for Residential Solar Photovoltaics with Energy Storage: Q1 2016

    Energy Technology Data Exchange (ETDEWEB)

    Ardani, Kristen; O' Shaughnessy, Eric; Fu, Ran; McClurg, Chris; Huneycutt, Joshua; Margolis, Robert

    2016-12-01

    In this report, we fill a gap in the existing knowledge about PV-plus-storage system costs and value by providing detailed component- and system-level installed cost benchmarks for residential systems. We also examine other barriers to increased deployment of PV-plus-storage systems in the residential sector. The results are meant to help technology manufacturers, installers, and other stakeholders identify cost-reduction opportunities and inform decision makers about regulatory, policy, and market characteristics that impede solar plus storage deployment. In addition, our periodic cost benchmarks will document progress in cost reductions over time. To analyze costs for PV-plus-storage systems deployed in the first quarter of 2016, we adapt the National Renewable Energy Laboratory's component- and system-level cost-modeling methods for standalone PV. In general, we attempt to model best-in-class installation techniques and business operations from an installed-cost perspective. In addition to our original analysis, model development, and review of published literature, we derive inputs for our model and validate our draft results via interviews with industry and subject-matter experts. One challenge to analyzing the costs of PV-plus-storage systems is choosing an appropriate cost metric. Unlike standalone PV, energy storage lacks universally accepted cost metrics, such as dollars per watt of installed capacity and lifetime levelized cost of energy. We explain the difficulty of arriving at a standard approach for reporting storage costs and then provide the rationale for using the total installed costs of a standard PV-plus-storage system as our primary metric, rather than using a system-size-normalized metric.

  14. Short rotation coppice as a business field of an energy utility

    Energy Technology Data Exchange (ETDEWEB)

    Cremer, T. (RWE Innogy Cogen GmbH, Dortmund (Germany))

    2010-07-01

    Companies that start planting short rotation coppice (SRC), enter a new territory. In fact, this subject is often discussed, but there is - at least in Germany - still comparatively little practical knowledge on that. Since ca. 1 year, RWE Innogy Cogen is doing pioneer work here and starts establishing SRC in Germany and Europe. Therefore, first results and experiences, as well as consequences for practice shall be presented and discussed in this article. (orig.)

  15. Vibration-rotation energy pattern in acetylene: 13CH12CH up to 6750 cm-1.

    Science.gov (United States)

    Fayt, A; Robert, S; Di Lonardo, G; Fusina, L; Tamassia, F; Herman, M

    2007-03-21

    All known vibration-rotation absorption lines of 13CH12CH accessing levels up to 6750 cm-1 were gathered from the literature. They were fitted simultaneously to J-dependent Hamiltonian matrices exploiting the well known vibrational polyad or cluster block diagonalization, in terms of the pseudo-quantum-numbers Ns=v1+v2+v3 and Nr=5v1+3v2+5v3+v4+v5, and accounting also for l parity and ef symmetry properties. The anharmonic interaction coupling terms known to occur from a pure vibrational fit in this acetylene isotopologue [Robert et al., J. Chem. Phys. 123, 174302 (2005)] were included in the model. A total of 12 703 transitions accessing 158 different (v1v2v3v4v5,l4l5) vibrational states was fitted with a dimensionless standard deviation of 0.99, leading to the determination of 216 vibration-rotation parameters. The experimental data included very weak vibration-rotation transitions accessing 18 previously unreported states, some of them forming Q branches with very irregular patterns.

  16. Performance enhancement of a rotational energy harvester utilizing wind-induced vibration of an inclined stay cable

    Science.gov (United States)

    Kim, In-Ho; Jang, Seon-Jun; Jung, Hyung-Jo

    2013-07-01

    In this paper, an innovative strategy for improving the performance of a recently developed rotational energy harvester is proposed. Its performance can be considerably enhanced by replacing the electromagnetic induction part, consisting of moving permanent magnets and a fixed solenoid coil, with a moving mass and a rotational generator (i.e., an electric motor). The proposed system is easily tuned to the natural frequency of a target structure using the position change of a proof mass. Owing to the high efficiency of the rotational generator, the device can more effectively harness electrical energy from the wind-induced vibration of a stay cable. Also, this new configuration makes the device more compact and geometrically tunable. In order to validate the effectiveness of the new configuration, a series of laboratory and field tests are carried out with the prototype of the proposed device, which is designed and fabricated based on the dynamic characteristics of the vibration of a stay cable installed in an in-service cable-stayed bridge. From the field test, it is observed that the normalized output power of the proposed system is 35.67 mW (m s-2)-2, while that of the original device is just 5.47 mW (m s-2)-2. These results show that the proposed device generates much more electrical energy than the original device. Moreover, it is verified that the proposed device can generate sufficient electricity to power a wireless sensor node placed on a cable under gentle-moderate wind conditions.

  17. Design of a non-linear power take-off simulator for model testing of rotating wave energy devices

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, M.F.P.; Henriques, J.C.C.; Lopes, Miguel C.; Gato, L.M.C. [IDMEC - Instituto de Engenharia Mecanica, Instituto Superior Tecnico, Universidade Tecnica de Lisboa, Lisboa (Portugal); Dente Antonio [CIE3 - Center for Innovation in Electrical and Energy Engineering, Lisboa (Portugal)

    2009-07-01

    Eddy current brakes provide a versatile way of simulating the power take-off system (PTO) in the model testing of wave energy converters at small scale. These are based on the principle that a conductive material moving perpendicularly to a magnetic field generates a braking force proportional to its velocity. This was applied in the design of the PTO simulator of a bottom-hinged flap wave energy converter model, at 1/16 scale. The efforts put into the accurate dynamic simulation of the device led to the development of a controllable PTO simulator, which can be applied to other small scale rotating wave energy device models. A special power source was built to provide the required controllable current intensity to feed the magnetic field generating coils. Different non-linear damping PTO characteristic curves can be simulated by basing the current control on real-time velocity measurement. The calibration of the system was done by connecting the device to a constant rotating speed motor and measuring the resistent torque produced by the PTO with a torquemeter for different values of current intensity through the coils.

  18. Driving forces and barriers to improved energy performance of buildings: an analysis of energy performance of Swedish buildings, 2000-2006

    Energy Technology Data Exchange (ETDEWEB)

    Fuglseth, Bente Beckstroem

    2008-06-15

    The building sector is responsible for a substantial part of energy use and green house gas emissions in Europe. This report explores driving forces and barriers to improved energy performance of buildings, using the Swedish building sector as a case. The development of energy performance of buildings in Sweden from 2000 until 2006 is explored by applying a threefold understanding of energy performance of buildings: substitution from fossil fuels to renewable energy, conversion from electrical heating to thermal energy and reduction in energy demand. Three explanatory approaches are used to analyse driving forces and barriers to improved energy performance: the techno-economic approach stresses the physical aspects of infrastructure and technologies, the institutional approach emphasizes the role of institutional factors, while the regulative approach focuses on formal rules and laws. The study concludes that all factors have promoted substitution of fossil fuels with renewable energy, while they have prevented conversion from electrical heating to thermal energy and reduction in energy demand. (author). 95 refs

  19. Vibration-rotation energy pattern in acetylene: (13)CH(12)CH up to 10 120 cm(-1).

    Science.gov (United States)

    Robert, S; Amyay, B; Fayt, A; Di Lonardo, G; Fusina, L; Tamassia, F; Herman, M

    2009-11-26

    All 18,219 vibration-rotation absorption lines of (13)CH(12)CH published in the literature, accessing substates up to 9400 cm(-1) and including some newly assigned, were simultaneously fitted to J-dependent Hamiltonian matrices exploiting the well-known vibrational polyad or cluster block-diagonalization, in terms of the pseudo quantum numbers N(s) = v(1) + v(2) + v(3) and N(r) = 5v(1) + 3v(2) + 5v(3) + v(4) + v(5), also accounting for k = l(4) + l(5) parity and e/f symmetry properties. Some 1761 of these lines were excluded from the fit, corresponding either to blended lines, for about 30% of them, or probably to lines perturbed by Coriolis for the remaining ones. The dimensionless standard deviation of the fit is 1.10, and 317 vibration-rotation parameters are determined. These results significantly extend those of a previous report considering levels below only 6750 cm(-1) [Fayt, A.; et al. J. Chem. Phys. 2007, 126, 114303]. Unexpected problems are reported when inserting in the global fit the information available on higher-energy polyads, extending from 9300 to 10 120 cm(-1). They are tentatively interpreted as resulting from a combination of the relative evolution of the two effective bending frequencies and long-range interpolyad low-order anharmonic resonances. The complete database, made of 18,865 vibration-rotation lines accessing levels up to 10 120 cm(-1), is made available as Supporting Information.

  20. A low energy muon spin rotation and point contact tunneling study of niobium films prepared for superconducting cavities

    Science.gov (United States)

    Junginger, Tobias; Calatroni, S.; Sublet, A.; Terenziani, G.; Prokscha, T.; Salman, Z.; Suter, A.; Proslier, T.; Zasadzinski, J.

    2017-12-01

    Point contact tunneling and low energy muon spin rotation are used to probe, on the same samples, the surface superconducting properties of micrometer thick niobium films deposited onto copper substrates using different sputtering techniques: diode, dc magnetron and HIPIMS. The combined results are compared to radio-frequency tests performances of RF cavities made with the same processes. Degraded surface superconducting properties are found to correlate to lower quality factors and stronger Q-slope. In addition, both techniques find evidence for surface paramagnetism on all samples and particularly on Nb films prepared by HIPIMS.

  1. Between-species variation in the kinetic stability of TIM proteins linked to solvation-barrier free energies.

    Science.gov (United States)

    Costas, Miguel; Rodríguez-Larrea, David; De Maria, Leonardo; Borchert, Torben V; Gómez-Puyou, Armando; Sanchez-Ruiz, Jose M

    2009-01-23

    Theoretical, computational, and experimental studies have suggested the existence of solvation barriers in protein unfolding and denaturation processes. These barriers are related to the finite size of water molecules and can be envisioned as arising from the asynchrony between water penetration and breakup of internal interactions. Solvation barriers have been proposed to play roles in protein cooperativity and kinetic stability; therefore, they may be expected to be subject to natural selection. We study the thermal denaturation, in the presence and in the absence of chemical denaturants, of triosephosphate isomerases (TIMs) from three different species: Trypanosoma cruzi, Trypanosoma brucei, and Leishmania mexicana. In all cases, denaturation was irreversible and kinetically controlled. Surprisingly, however, we found large differences between the kinetic denaturation parameters, with T. cruzi TIM showing a much larger activation energy value (and, consequently, much lower room-temperature, extrapolated denaturation rates). This disparity cannot be accounted for by variations in the degree of exposure to solvent in transition states (as measured by kinetic urea m values) and is, therefore, to be attributed mainly to differences in solvation-barrier contributions. This was supported by structure-energetics analyses of the transition states and by application of a novel procedure to estimate from experimental data the solvation-barrier impact at the entropy and free-energy levels. These analyses were actually performed with an extended protein set (including six small proteins plus seven variants of lipase from Thermomyces lanuginosus and spanning a wide range of activation parameters), allowing us to delineate the general trends of the solvation-barrier contributions. Overall, this work supports that proteins sharing the same structure and function but belonging to different organisms may show widely different solvation barriers, possibly as a result of different

  2. Free-Energy Barrier of Filling a Spherical Cavity in the Presence of Line Tension: Implication to the Energy Barrier between the Cassie and Wenzel States on a Superhydrophobic Surface with Spherical Cavities.

    Science.gov (United States)

    Iwamatsu, Masao

    2016-09-20

    The free-energy barrier of filling a spherical cavity having an inner wall of various wettabilities is studied. The morphology and free energy of a lens-shaped droplet are determined from the minimum of the free energy. The effect of line tension on the free energy is also studied. Then, the equilibrium contact angle of the droplet is determined from the generalized Young's equation. By increasing the droplet volume within the spherical cavity, the droplet morphology changes from spherical with an equilibrium contact angle of 180° to a lens with a convex meniscus, where the morphological complete drying transition occurs. By further increasing the droplet volume, the meniscus changes from convex to concave. Then, the lens-shaped droplet with concave meniscus spreads over the whole inner wall, resulting in an equilibrium contact angle of 0° to leave a spherical bubble, where the morphological complete wetting transition occurs. Finally, the whole cavity is filled with liquid. The free energy shows a barrier from complete drying to complete wetting as a function of droplet volume, which corresponds to the energy barrier between the Cassie and Wenzel states of the superhydrophobic surface with spherical cavities. The free-energy maximum occurs when the meniscus of the droplet becomes flat, and it is given by an analytic formula. The effect of line tension is expressed by the scaled line tension, and this effect is largest at the free-energy maximum. The positive line tension increases the free-energy maximum, which thus increases the stability of the Cassie superhydrophobic state, whereas the negative line tension destabilizes the superhydrophobic state.

  3. Force dependence of energy barriers in atomic friction and single-molecule force spectroscopy: critique of a critical scaling relation.

    Science.gov (United States)

    Evstigneev, M; Reimann, P

    2015-04-01

    Friction force microscopy and single-molecule force spectroscopy are experimental methods to explore multistable energy landscapes by means of a controlled reduction of the energy barriers between adjacent potential minima. This affects the system's interstate transition rates proportional to e(-ΔE(f)/kBT), with ΔE(f) being the barrier height, k(B)T the thermal energy, and f the elastic force applied. It is often assumed that, at large forces, the barrier height scales as (f(c) - f)(3/2), where f(c) is the critical force, at which the barrier vanishes. We show that, for the elastic forces produced by a pulling device of finite stiffness κ, this scaling relation is actually incorrect. Rather, the barrier is a double-valued function of force of the form E(f) ∝ (κ/κ(c) ±√1 − f/f(0))(3), where f(0) is the maximal force that the system potential can generate, and the characteristic stiffness κ(c) is not necessarily much larger than κ. In particular, for finite κ, the barrier vanishes at a certain force f(κ) force f0 can still be reached. We derive the relation between the most probable force at the moment of transition, fm, and the pulling velocity, v. The usually assumed scaling f(m) ∝ (ln v)(2/3) is recovered as the κ → 0 limit of our more general result, but becomes increasingly worse as κ grows. We introduce a new data analysis method that allows one to quantitatively characterize the system potential and evaluate the stiffness of the pulling device, κ, which is usually not known beforehand. We demonstrate the feasibility of our method by analyzing the results of a numerical experiment based on the standard Prandtl-Tomlinson model of nanoscale friction.

  4. Spectral Modeling of Residual Stress and Stored Elastic Strain Energy in Thermal Barrier Coatings

    Energy Technology Data Exchange (ETDEWEB)

    Donegan, Sean; Rolett, Anthony

    2013-12-31

    Solutions to the thermoelastic problem are important for characterizing the response under temperature change of refractory systems. This work extends a spectral fast Fourier transform (FFT) technique to analyze the thermoelastic behavior of thermal barrier coatings (TBCs), with the intent of probing the local origins of failure in TBCs. The thermoelastic FFT (teFFT) approach allows for the characterization of local thermal residual stress and strain fields, which constitute the origins of failure in TBC systems. A technique based on statistical extreme value theory known as peaks-over-threshold (POT) is developed to quantify the extreme values ("hot spots") of stored elastic strain energy (i.e., elastic energy density, or EED). The resolution dependence of the teFFT method is assessed through a sensitivity study of the extreme values in EED. The sensitivity study is performed both for the local (point-by-point) eld distributions as well as the grain scale eld distributions. A convergence behavior to a particular distribution shape is demonstrated for the local elds. The grain scale fields are shown to exhibit a possible convergence to a maximum level of EED. To apply the teFFT method to TBC systems, 3D synthetic microstructures are created to approximate actual TBC microstructures. The morphology of the grains in each constituent layer as well as the texture is controlled. A variety of TBC materials, including industry standard materials and potential future materials, are analyzed using the teFFT. The resulting hot spots are quantified using the POT approach. A correlation between hot spots in EED and interface rumpling between constituent layers is demonstrated, particularly for the interface between the bond coat (BC) and the thermally grown oxide (TGO) layer.

  5. Transportation Energy Futures Series. Non-Cost Barriers to Consumer Adoption of New Light-Duty Vehicle Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, Thomas [Argonne National Lab. (ANL), Argonne, IL (United States)

    2013-03-01

    Consumer preferences are key to the adoption of new vehicle technologies. Barriers to consumer adoption include price and other obstacles, such as limited driving range and charging infrastructure; unfamiliarity with the technology and uncertainty about direct benefits; limited makes and models with the technology; reputation or perception of the technology; standardization issues; and regulations. For each of these non-cost barriers, this report estimates an effective cost and summarizes underlying influences on consumer preferences, approximate magnitude and relative severity, and assesses potential actions, based on a comprehensive literature review. While the report concludes that non-cost barriers are significant, effective cost and potential market share are very uncertain. Policies and programs including opportunities for drivers to test drive advanced vehicles, general public outreach and information programs, incentives for providing charging and fueling infrastructure, and development of technology standards were examined for their ability to address barriers, but little quantitative data exists on the effectiveness of these measures. This is one in a series of reports produced as a result of the Transportation Energy Futures project, a Department of Energy-sponsored multi-agency effort to pinpoint underexplored strategies for reducing GHGs and petroleum dependence related to transportation. View all reports on the TEF Web page, http://www.eere.energy.gov/analysis/transportationenergyfutures/index.html.

  6. State-To Rotational and Vibrational Energy Transfers Following Vibrational Excitation of (1010000) and (0112000) in the Ground Electronic State of Acetylene

    Science.gov (United States)

    Han, Jiande; Freel, Keith; Heaven, Michael C.

    2011-06-01

    We have examined state-to-state rotational and vibrational energy transfers for the vibrational levels (1010000) and (0112000) of C2H2 in the ground electronic state at ambient temperature. Measurements were made using a pulsed IR - UV double resonance technique. Total removal rate constants and state-to-state rotational energy transfer rate constants have been characterized for certain even-numbered rotational levels from J = 0 to 12 within the two vibrational modes. The measured state-to-state rotational energy transfer rate constants were fit to some energy-based empirical scaling and fitting laws, and the rate constants were found to be best reproduced by the statistical power-exponential gap law (PEGL). The measured rate constants were then further evaluated by a kinetic model which simulated the experimental spectra by solving simultaneous first order differential rate equations. Some rotationally-resolved vibrational energy transfer channels were also observed following excitation of (1010000). The vibrational relaxation channels were found to contribute less than 30% to the total removal rate constants of the measured rotational levels for both of the studied vibrational states.

  7. Short rotation woody crops: Using agroforestry technology for energy in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Wright, L L; Ranney, J W

    1991-01-01

    Agroforestry in the United States is being primarily defined as the process of using trees in agricultural systems for conservation purposes and multiple products. The type of agroforestry most commonly practiced in many parts of the world, that is the planting of tree crops in combination with food crops or pasture, is the type least commonly practiced in the United States. One type of agroforestry technique, which is beginning now and anticipated to expand to several million acres in the United States, is the planting of short-rotation woody crops (SRWCs) primarily to provide fiber and fuel. Research on SRWC's and environmental concerns are described.

  8. Molecular ring rotation in solid ferrocene revisited

    Energy Technology Data Exchange (ETDEWEB)

    Appel, Markus, E-mail: appel@ill.eu [Institute for Condensed Matter Physics, Technische Universität Darmstadt, Hochschulstraße 8, 64289 Darmstadt (Germany); Institut Laue-Langevin, 71 Avenue des Martyrs, 38000 Grenoble (France); Frick, Bernhard [Institut Laue-Langevin, 71 Avenue des Martyrs, 38000 Grenoble (France); Spehr, Tinka Luise; Stühn, Bernd [Institute for Condensed Matter Physics, Technische Universität Darmstadt, Hochschulstraße 8, 64289 Darmstadt (Germany)

    2015-03-21

    We report on quasielastic neutron spectroscopy experiments on ferrocene (bis(η{sup 5}-cyclopentadienyl)iron) in its three different crystalline phases: the disordered monoclinic crystalline phase (T > 164 K), the metastable triclinic phase (T < 164 K), and the stable orthorhombic phase (T < 250 K). The cyclopentadienyl rings in ferrocene are known to undergo rotational reorientations for which the analysis of our large data set suggests partially a revision of the known picture of the dynamics and allows for an extension and completion of previous studies. In the monoclinic phase, guided by structural information, we propose a model for rotational jumps among non-equivalent sites in contrast to the established 5-fold jump rotation model. The new model takes the dynamical disorder into account and allows the cyclopentadienyl rings to reside in two different configurations which are found to be twisted by an angle of approximately 30°. In the triclinic phase, our analysis demands the use of a 2-ring model accounting for crystallographically independent sites with different barriers to rotation. For the orthorhombic phase of ferrocene, we confirm a significantly increased barrier of rotation using neutron backscattering spectroscopy. Our data analysis includes multiple scattering corrections and presents a novel approach of simultaneous analysis of different neutron scattering data by combining elastic and inelastic fixed window temperature scans with energy spectra, providing a very robust and reliable mean of extracting the individual activation energies of overlapping processes.

  9. Cylindrical shock waves in rotational axisymmetric non-ideal dusty gas with increasing energy under the action of monochromatic radiation

    Science.gov (United States)

    Sahu, P. K.

    2017-08-01

    The propagation of a cylindrical shock wave in a rotational axisymmetric non-ideal dusty gas under the action of monochromatic radiation with increasing energy, which has variable azimuthal and axial components of fluid velocity, is investigated. The dusty gas is assumed to be a mixture of non-ideal (or perfect) gas and small solid particles, in which solid particles are continuously distributed. Similarity solutions are obtained as well as the effects of the variation of the radiation parameters, the parameter of non-idealness of the gas, the mass concentration of solid particles in the mixture, the ratio of the density of solid particles to the initial density of the gas, and the piston velocity index are worked out in detail. The total energy of the shock wave is varying and increases with time. It is observed that the radiation parameter and the piston velocity index have opposite behaviour on the flow variables as well as the shock strength.

  10. A rotational and axial motion system load frame insert for in situ high energy x-ray studies

    Energy Technology Data Exchange (ETDEWEB)

    Shade, Paul A., E-mail: paul.shade.1@us.af.mil; Schuren, Jay C.; Turner, Todd J. [Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson AFB, Ohio 45433 (United States); Blank, Basil [PulseRay, Beaver Dams, New York 14812 (United States); Kenesei, Peter; Goetze, Kurt; Lienert, Ulrich; Almer, Jonathan [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Suter, Robert M. [Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States); Bernier, Joel V.; Li, Shiu Fai [Engineering Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Lind, Jonathan [Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States); Engineering Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)

    2015-09-15

    High energy x-ray characterization methods hold great potential for gaining insight into the behavior of materials and providing comparison datasets for the validation and development of mesoscale modeling tools. A suite of techniques have been developed by the x-ray community for characterizing the 3D structure and micromechanical state of polycrystalline materials; however, combining these techniques with in situ mechanical testing under well characterized and controlled boundary conditions has been challenging due to experimental design requirements, which demand new high-precision hardware as well as access to high-energy x-ray beamlines. We describe the design and performance of a load frame insert with a rotational and axial motion system that has been developed to meet these requirements. An example dataset from a deforming titanium alloy demonstrates the new capability.

  11. Vibration attenuation of rotating machines by application of magnetorheological dampers to minimize energy losses in the rotor support

    Science.gov (United States)

    Zapoměl, J.; Ferfecki, P.

    2016-09-01

    A frequently used technological solution for minimization of undesirable effects caused by vibration of rotating machines consists in placing damping devices in the rotor supports. The application of magnetorheological squeeze film dampers enables their optimum performance to be achieved in a wide range of rotating speeds by adapting their damping effect to the current operating conditions. The damping force, which is produced by squeezing the layer of magnetorheological oil, can be controlled by changing magnetic flux passing through the lubricant. The force acting between the rotor and its frame is transmitted through the rolling element bearing, the lubricating layer and the squirrel spring. The loading of the bearing produces a time variable friction moment, energy losses, uneven rotor running, and has an influence on the rotor service life and the current fluctuation in electric circuits. The carried out research consisted in the development of a mathematical model of a magnetorheological squeeze film damper, its implementation into the computational models of rotor systems, and in performing the study on the dependence of the energy losses and variation of the friction moment on the damping force and its control. The new and computationally stable mathematical model of a magnetorheological squeeze film damper, its implementation in the computational models of rigid rotors and learning more on the energy losses generated in the rotor supports in dependence on the damping effect are the principal contributions of this paper. The results of the computational simulations prove that a suitable control of the damping force enables the energy losses to be reduced in a wide velocity range.

  12. The IUPAC Database of Rotational-Vibrational Energy Levels and Transitions of Water Isotopologues from Experiment and Theory

    Science.gov (United States)

    Császár, Attila G.; Furtenbacher, T.; Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.

    2014-06-01

    The results of an IUPAC Task Group formed in 2004 on "A Database of Water Transitions from Experiment and Theory" (Project No. 2004-035-1-100) are presented. Energy levels and recommended labels involving exact and approximate quantum numbers for the main isotopologues of water in the gas phase, H216O, H218O, H217O, HD16O, HD18O, HD17O, D216O, D218O, and D217O, are determined from measured transition wavenumbers. The transition wavenumbers and energy levels are validated using the MARVEL (measured active rotational-vibrational energy levels) approach and first-principles nuclear motion computations. The extensive data, e.g., more than 200,000 transitions have been handled for H216O, including lines and levels that are required for analysis and synthesis of spectra, thermochemical applications, the construction of theoretical models, and the removal of spectral contamination by ubiquitous water lines. These datasets can also be used to assess where measurements are lacking for each isotopologue and to provide accurate frequencies for many yet-to-be measured transitions. The lack of high-quality frequency calibration standards in the near infrared is identified as an issue that has hindered the determination of high-accuracy energy levels at higher frequencies. The generation of spectra using the MARVEL energy levels combined with transition intensities computed using high accuracy ab initio dipole moment surfaces are discussed.

  13. Energy balance and evaporation of a short-rotation willow forest. Variation with season and stand development

    Energy Technology Data Exchange (ETDEWEB)

    Iritz, Z.

    1996-10-01

    Energy balance and evaporation of a short-rotation willow (Salix viminalis L.) forest was studied in relation to season and stand development. The developmental stage of the forest stand considerably influenced how the energy, received as net radiation, was partitioned between the connective fluxes and the storage components. The main part of the available energy was utilised for evaporation during most of the season. Only at the beginning of the season did the willow forest supply heat to the atmosphere. Later in the season, energy was taken from air and utilised for evaporation, which resulted in negative sensible heat fluxes. Soil heat storage was also a significant term in the energy balance and also strongly depended on canopy development. Changes in energy partitioning relative to leaf area indices indicated the existence of a threshold value for leaf area index of the developing canopy. The analysis suggested that the canopy of the willow forest could be considered as closed at a leaf area index of 2. It was further found that evaporation from well-irrigated willow forest occurred also during night-time, particularly in windy and dry weather conditions. The sources of nocturnal evaporation were both the canopy, i.e. indicating non-closed stomata, and the soil surface. Partitioning of the total evaporation into components was investigated using a physically-based model with a two-layer aboveground representation and a two-layer soil module. The model estimates evaporation with respect to developmental stage of the willow stand and also takes into account the interaction between the fluxes from the canopy and the soil surface. Good performance of the model indicated that, after further testing in drier conditions, it could be used as a tool for analysing the prerequisites for energy-forest establishment, and practical management of energy forest stands. 37 refs, 9 figs

  14. Energy SMEs in sub-Saharan Africa: Outcomes, barriers and prospects in Ghana, Senegal, Tanzania and Zambia

    Energy Technology Data Exchange (ETDEWEB)

    Haselip, J.A.; Desgain, D.; Mackenzie, G.A.

    2013-05-15

    This report presents the findings of research into the main outcomes of government and donor-backed efforts to promote small and medium-sized energy businesses (energy SMEs) in sub-Saharan Africa. The research follows an outcome analysis methodology. The focus is on four countries: Ghana, Senegal, Tanzania and Zambia and primarily on UNEP's AREED programme (2002-2012). This research focuses on the 'contributing factors' - a deliberately broader term that incorporates the internal 'success factors' - for energy SMEs, about which much has already been written. Indeed, the research findings presented in this report reaffirm most of what has been concluded in previous studies. These studies identified the lack of access to affordable finance as being the predominant, persistent, barrier to establishing and scaling up a commercially viable energy SME sector, emphasising the lack of strong policy support from governments, poor business skills capacity and the high cost of many RETs as related cause-and-effect barriers. While these issues continue to characterise, to a greater or lesser extent, the energy SMEs sectors in the countries studied for this research, it is more relevant to revisit the main assumption behind AREED and other donor-backed programmes designed to promote energy SMEs. The assumption is that the solution to the aforementioned barriers would be overcome by a 'demonstration effect' whereby successful energy SMEs, supported by donor-backed programmes, influence the commercial financial sector to invest in energy SMEs, thus triggering a virtuous circle of growth and profitability. Experiences drawn from a decade of AREED support across four of the project countries reveal both the presence (Ghana, Senegal) and absence, or weak presence, of this demonstration effect (Tanzania, Zambia). This is a central question, and one which was not the focus of previous research, presumably because the answer was not fully apparent prior to 2006 when the last

  15. Rupturing the hemi-fission intermediate in membrane fission under tension: Reaction coordinates, kinetic pathways, and free-energy barriers

    Science.gov (United States)

    Zhang, Guojie; Müller, Marcus

    2017-08-01

    Membrane fission is a fundamental process in cells, involved inter alia in endocytosis, intracellular trafficking, and virus infection. Its underlying molecular mechanism, however, is only incompletely understood. Recently, experiments and computer simulation studies have revealed that dynamin-mediated membrane fission is a two-step process that proceeds via a metastable hemi-fission intermediate (or wormlike micelle) formed by dynamin's constriction. Importantly, this hemi-fission intermediate is remarkably metastable, i.e., its subsequent rupture that completes the fission process does not occur spontaneously but requires additional, external effects, e.g., dynamin's (unknown) conformational changes or membrane tension. Using simulations of a coarse-grained, implicit-solvent model of lipid membranes, we investigate the molecular mechanism of rupturing the hemi-fission intermediate, such as its pathway, the concomitant transition states, and barriers, as well as the role of membrane tension. The membrane tension is controlled by the chemical potential of the lipids, and the free-energy landscape as a function of two reaction coordinates is obtained by grand canonical Wang-Landau sampling. Our results show that, in the course of rupturing, the hemi-fission intermediate undergoes a "thinning → local pinching → rupture/fission" pathway, with a bottle-neck-shaped cylindrical micelle as a transition state. Although an increase of membrane tension facilitates the fission process by reducing the corresponding free-energy barrier, for biologically relevant tensions, the free-energy barriers still significantly exceed the thermal energy scale kBT.

  16. Energy wood production in short rotation. Opportunities and problems in their implementation. An analysis involving expert interviews; Energieholzproduktion im Kurzumtrieb. Chancen und Probleme bei ihrer Umsetzung. Eine Analyse unter Einbeziehung von Experteninterviews

    Energy Technology Data Exchange (ETDEWEB)

    Wirkner, Ronny

    2010-12-01

    The thesis has to the content the latest stand and the possibilities of further development of wood energy production by short rotation coppice (SRC). After analyzing the development of this relatively new option of the management of fast growing tree species and their possibilities, the associated legal bases are being analyzed. In addition to related agricultural land, other options will be considered to establish land (forest, fallow land). Weaknesses in delimitation and promotion, especially at country level are discussed. There follows a detailed consideration of the economical and ecological contemplation of wood agricultural cultivation, as well as the basics of the management including the raw material supply. The analyzed results serve as a basis for running interviews with experts of the subject fast growing tree species. The results of the interviews show that SRC mainly as an opportunity for long-term wood energy supply and establishment of regional circuits is seen with emphasis on the agricultural sector, but in this context there are lots of deficits on side of the management technology, basic conditions and other establishment barriers that we are confront with. After overcoming the remaining start-up difficulties however the chances are good to expand the energy wood production in short rotation forestry in an economically viable, ecologically profitable and socially acceptable way and therewith contribute to the diversification of agricultural production and relief of multifunctional forest management. (orig.)

  17. Transportation Energy Futures Series: Non-Cost Barriers to Consumer Adoption of New Light-Duty Vehicle Technologies

    Energy Technology Data Exchange (ETDEWEB)

    Stephens, T.

    2013-03-01

    Consumer preferences are key to the adoption of new vehicle technologies. Barriers to consumer adoption include price and other obstacles, such as limited driving range and charging infrastructure; unfamiliarity with the technology and uncertainty about direct benefits; limited makes and models with the technology; reputation or perception of the technology; standardization issues; and regulations. For each of these non-cost barriers, this report estimates an effective cost and summarizes underlying influences on consumer preferences, approximate magnitude and relative severity, and assesses potential actions, based on a comprehensive literature review. While the report concludes that non-cost barriers are significant, effective cost and potential market share are very uncertain. Policies and programs including opportunities for drivers to test drive advanced vehicles, general public outreach and information programs, incentives for providing charging and fueling infrastructure, and development of technology standards were examined for their ability to address barriers, but little quantitative data exists on the effectiveness of these measures. This is one in a series of reports produced as a result of the Transportation Energy Futures project, a Department of Energy-sponsored multi-agency effort to pinpoint underexplored strategies for reducing GHGs and petroleum dependence related to transportation.

  18. Phenomena of spin rotation and oscillation of particles (atoms, molecules) containing in a trap blowing on by wind of high energy particles in storage ring

    OpenAIRE

    Baryshevsky, Vladimir

    2013-01-01

    Spin rotation and oscillation phenomena of particles captured in a gas target through which beam of high energy particles passes is discussed. Such experiment arrangement make it realizable for storage ring and allows to study zero-angle scattering amplitude at highest possible energies.

  19. Computation of masses and binding energies of some hadrons and bosons according to the rotating lepton model and the relativistic Newton equation

    Science.gov (United States)

    Vayenas, C. G.; Fokas, A. S.; Grigoriou, D.

    2016-08-01

    We compute analytically the masses, binding energies and hamiltonians of gravitationally bound Bohr-type states via the rotating relativistic lepton model which utilizes the de Broglie wavelength equation in conjunction with special relativity and Newton's relativistic gravitational law. The latter uses the inertial-gravitational masses, rather than the rest masses, of the rotating particles. The model also accounts for the electrostatic charge- induced dipole interactions between a central charged lepton, which is usually a positron, with the rotating relativistic lepton ring. We use three rotating relativistic neutrinos to model baryons, two rotating relativistic neutrinos to model mesons, and a rotating relativistic electron neutrino - positron (or electron) pair to model the W± bosons. It is found that gravitationally bound ground states comprising three relativistic neutrinos have masses in the baryon mass range (∼⃒ 0.9 to 1 GeV/c2), while ground states comprising two neutrinos have masses in the meson mass range (∼⃒ 0.4 to 0.8 GeV/c2). It is also found that the rest mass values of quarks are in good agreement with the heaviest neutrino mass value of 0.05 eV/c2 and that the mass of W± bosons (∼⃒ 81 GeV/c2) corresponds to the mass of a rotating gravitationally confined e± — ve pair. A generalized expression is also derived for the gravitational potential energy of such relativistic Bohr-type structures.

  20. Multi-source energy harvester to power sensing hardware on rotating structures

    Science.gov (United States)

    Schlichting, Alexander; Ouellette, Scott; Carlson, Clinton; Farinholt, Kevin M.; Park, Gyuhae; Farrar, Charles R.

    2010-04-01

    The U.S. Department of Energy (DOE) proposes to meet 20% of the nation's energy needs through wind power by the year 2030. To accomplish this goal, the industry will need to produce larger (>100m diameter) turbines to increase efficiency and maximize energy production. It will be imperative to instrument the large composite structures with onboard sensing to provide structural health monitoring capabilities to understand the global response and integrity of these systems as they age. A critical component in the deployment of such a system will be a robust power source that can operate for the lifespan of the wind turbine. In this paper we consider the use of discrete, localized power sources that derive energy from the ambient (solar, thermal) or operational (kinetic) environment. This approach will rely on a multi-source configuration that scavenges energy from photovoltaic and piezoelectric transducers. Each harvester is first characterized individually in the laboratory and then they are combined through a multi-source power conditioner that is designed to combine the output of each harvester in series to power a small wireless sensor node that has active-sensing capabilities. The advantages/disadvantages of each approach are discussed, along with the proposed design for a field ready energy harvester that will be deployed on a small-scale 19.8m diameter wind turbine.

  1. Multi-source energy harvester to power sensing hardware on rotating structures

    Energy Technology Data Exchange (ETDEWEB)

    Schlichting, Alezander D [Los Alamos National Laboratory; Ouellette, Scott [Los Alamos National Laboratory; Carlson, Clinton P [Los Alamos National Laboratory; Farinholt, Kevin M [Los Alamos National Laboratory; Park, Gyuhae [Los Alamos National Laboratory; Farrar, Charles [Los Alamos National Laboratory

    2010-01-01

    The U.S. Department of Energy (DOE) proposes to meet 20% of the nation's energy needs through wind power by the year 2030. To accomplish this goal, the industry will need to produce larger (> 100m diameter) turbines to increase efficiency and maximize energy production. It will be imperative to instrument the large composite structures with onboard sensing to provide structural health monitoring capabilities to understand the global response and integrity of these systems as they age. A critical component in the deployment of such a system will be a robust power source that can operate for the lifespan of the wind turbine. In this paper we consider the use of discrete, localized power sources that derive energy from the ambient (solar, thermal) or operational (kinetic) environment. This approach will rely on a multi-source configuration that scavenges energy from photovoltaic and piezoelectric transducers. Each harvester is first characterized individually in the laboratory and then they are combined through a multi-source power conditioner that is designed to combine the output of each harvester in series to power a small wireless sensor node that has active-sensing capabilities. The advantages/disadvantages of each approach are discussed, along with the proposed design for a field ready energy harvester that will be deployed on a small-scale 19.8m diameter wind turbine.

  2. Abandoned lands and tree crops on short rotations : a favourable combination for energy; Les terres abandonnees et les cultures d`arbres sur courtes rotations : une conjoncture favorable pour l`energie

    Energy Technology Data Exchange (ETDEWEB)

    Labrecque, M.; Teodorescu, T.I. [Jardin botanique de Montreal, Montreal, PQ (Canada)

    1998-05-01

    Short-rotation intensive culture on abandoned farmlands has successfully been used in Sweden to produce woody biomass as an energy source. Because of changing economic conditions, it is estimated that 33,000 hectares of farmland are abandoned every year in Quebec. Although it is impractical to use these lands for conventional farming crops, they are nevertheless well-suited for tree plantations. Results of a study to demonstrate the feasibility of this method in Quebec were discussed. Three plantations of one hectare each were established on abandoned farmlands 90 km southwest of Montreal for this pilot study. Salix discolor and Salix viminalis were planted in fertilized and non-fertilized plots. A detailed analysis of costs for planting, maintaining, and harvesting the crop was conducted over a period of three years. Results demonstrate that the economic and soil conditions in southern Quebec make wood biomass a profitable crop on abandoned farmlands. 6 refs., 2 tabs., 1 fig.

  3. Fusion enhancement at near and sub-barrier energies in {sup 19}O + {sup 12}C

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Varinderjit; Vadas, J.; Steinbach, T.K.; Wiggins, B.B.; Hudan, S. [Department of Chemistry and Center for Exploration of Energy and Matter, Indiana University, 2401 Milo B. Sampson Lane, Bloomington, IN 47408 (United States); Souza, R.T. de, E-mail: deSouza@indiana.edu [Department of Chemistry and Center for Exploration of Energy and Matter, Indiana University, 2401 Milo B. Sampson Lane, Bloomington, IN 47408 (United States); Lin, Zidu; Horowitz, C.J. [Department of Physics and Center for Exploration of Energy and Matter, Indiana University, 2401 Milo B. Sampson Lane, Bloomington, IN 47408 (United States); Baby, L.T.; Kuvin, S.A.; Tripathi, Vandana; Wiedenhöver, I. [Department of Physics, Florida State University, Tallahassee, FL 32306 (United States); Umar, A.S. [Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235 (United States)

    2017-02-10

    Measuring the fusion excitation function for an isotopic chain of projectile nuclei provides a stringent test of a microscopic description of fusion. We report the first measurement of the fusion excitation function at near-barrier energies for the {sup 19}O + {sup 12}C system. The measured excitation function is compared with the fusion excitation function of {sup 18}O + {sup 12}C. A significant enhancement in the fusion probability of {sup 19}O ions with a {sup 12}C target as compared to {sup 18}O ions is observed. The experimental cross-sections observed at near-barrier energies are compared with a state-of-the-art microscopic model.

  4. Market and behavioral barriers to energy efficiency: A preliminary evaluation of the case for tariff financing in California

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, K. Sydny

    2011-06-23

    Consumers regularly forgo purchases of high efficiency appliances that appear to be cost effective at a reasonable rate of return. While some argue that this is a true revelation of preferences for appliance features, this 'efficiency gap' can be largely explained by a combination of market and behavioral failures that reduce consumers ability to evaluate the relative value of appliances and skew preferences toward initial cost savings, undervaluing future reductions in operating costs. These failures and barriers include externalities of energy use, imperfect competition between manufacturers, asymmetric information, bounded rationality, split incentives, and transaction costs (Golove 1996). Recognizing the social benefit of energy conservation, several major methods are used by policymakers to ensure that efficient appliances are purchased: minimum efficiency standards, Energy Star labeling, and rebates and tax credits. There is no single market for energy services; there are hundreds of uses, thousands of intermediaries, and millions of users, and likewise, no single appropriate government intervention (Golove 1996). Complementary approaches must be implemented, considering policy and institutional limitations. In this paper, I first lay out the rationale for government intervention by addressing the market and behavioral failures and barriers that arise in the context of residential energy efficiency. I then consider the ways in which some of these failures and barriers are addressed through major federal programs and state and utility level programs that leverage them, as well as identifying barriers that are not addressed by currently implemented programs. Heterogeneity of consumers, lack of financing options, and split incentives of landlords and tenants contribute significantly to the under-adoption of efficient appliances. To quantify the size of the market most affected by these barriers, I estimate the number of appliances, and in particular

  5. Specific Barriers and Drivers in Different Stages of Decision-Making about Energy Efficiency Upgrades in Private Homes

    Science.gov (United States)

    Klöckner, Christian A.; Nayum, Alim

    2016-01-01

    Energy efficiency upgrades of privately owned homes like adding to the insulation layers in the walls, roof or floor, or replacing windows with more efficiently insulated versions can contribute significantly to reducing the energy impact of the building sector and thus also the CO2 footprint of a household. However, even in countries like Norway that have a rather high rate of renovation, energy upgrades are not always integrated into such a refurbishment project. This study tests which structural and internal psychological barriers hinder and which drivers foster decision-making to implement such measures, once a renovation project is planned. With a theoretical background in stage-based models of decision-making 24 barriers and drivers were tested for their specific effect in the stages of decision-making. The four stages of decision-making assumed in this study were (1) “not being in a decision mode,” (2) “deciding what to do,” (3) “deciding how to do it,” and (4) “planning implementation.” Based on an online survey of 3787 Norwegian households, it was found that the most important barriers toward deciding to implement energy efficiency upgrades were not owning the dwelling and feeling the right time had not come yet. The most important drivers of starting to decide were higher expected comfort levels, better expected living conditions, and an expected reduction of energy costs. For the transition from deciding what to do to how to do it, not managing to make a decision and feeling the right point in time has not come yet were the strongest barriers, easily accessible information and an expected reduction of energy costs were the most important drivers. The final transition from deciding how to do the upgrades to planning implementation was driven by expecting a payoff within a reasonable time frame and higher expected comfort levels; the most important barriers were time demands for supervising contractors and—again—a feeling that the right

  6. Effects of high- and low-energy radial shock waves therapy combined with physiotherapy in the treatment of rotator cuff tendinopathy: a retrospective study.

    Science.gov (United States)

    Su, Xiangzheng; Li, Zhongli; Liu, Zhengsheng; Shi, Teng; Xue, Chao

    2017-06-09

    The aim of this study was to investigate the efficacy of high- and low-energy radial shock waves combined with physiotherapy for rotator cuff tendinopathy patients. Data from rotator cuff tendinopathy patients received high- or low-energy radial shock waves combined with physiotherapy or physiotherapy alone were collected. The Constant and Murley score and visual analog scale score were collected to assess the effectiveness of treatment in three groups at 4, 8, 12, and 24 weeks. In total, 94 patients were involved for our retrospective study. All groups showed remarkable improvement in the visual analog scale and Constant and Murley score compared to baseline at 24 weeks. The high-energy radial shock waves group had more marked improvement in the Constant and Murley score compared to the physiotherapy group at 4 and 8 weeks and at 4 weeks when compared with low-energy group. Furthermore, high-energy radial shock waves group had superior results on the visual analog scale at 4, 8, and 12 weeks compared to low-energy and physiotherapy groups. This retrospective study supported the usage of high-energy radial shock waves as a supplementary therapy over physiotherapy alone for rotator cuff tendinopathy by relieving the symptoms rapidly and maintaining symptoms at a satisfactory level for 24 weeks. Implications for Rehabilitation High-energy radial shock waves can be a supplemental therapy to physiotherapy for rotator cuff tendinopathy. We recommend the usage of high-energy radial shock waves during the first 5 weeks, at an interval of 7 days, of physiotherapy treatment. High-energy radial shock waves treatment combined with physiotherapy can benefit rotator cuff tendinopathy by relieving symptoms rapidly and maintain these improvements at a satisfactory level for quite a long time.

  7. Quantitative rotating frame relaxometry methods in MRI.

    Science.gov (United States)

    Gilani, Irtiza Ali; Sepponen, Raimo

    2016-06-01

    Macromolecular degeneration and biochemical changes in tissue can be quantified using rotating frame relaxometry in MRI. It has been shown in several studies that the rotating frame longitudinal relaxation rate constant (R1ρ ) and the rotating frame transverse relaxation rate constant (R2ρ ) are sensitive biomarkers of phenomena at the cellular level. In this comprehensive review, existing MRI methods for probing the biophysical mechanisms that affect the rotating frame relaxation rates of the tissue (i.e. R1ρ and R2ρ ) are presented. Long acquisition times and high radiofrequency (RF) energy deposition into tissue during the process of spin-locking in rotating frame relaxometry are the major barriers to the establishment of these relaxation contrasts at high magnetic fields. Therefore, clinical applications of R1ρ and R2ρ MRI using on- or off-resonance RF excitation methods remain challenging. Accordingly, this review describes the theoretical and experimental approaches to the design of hard RF pulse cluster- and adiabatic RF pulse-based excitation schemes for accurate and precise measurements of R1ρ and R2ρ . The merits and drawbacks of different MRI acquisition strategies for quantitative relaxation rate measurement in the rotating frame regime are reviewed. In addition, this review summarizes current clinical applications of rotating frame MRI sequences. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  8. Kinematic rotations for four-centre reactions: mapping tetra-atomic potential energy surfaces on the kinetic sphere

    Science.gov (United States)

    Aquilanti, Vincenzo; Bonnet, Laurent; Cavalli, Simonetta

    Kinematic rotations for four body processes canbe conveniently represented as arcs connecting the different reactive rearrangements, (T + UVW, TU + VW, TUV + W and all permutations). The arcs can be considered as forming great circles on a sphere, which is therefore a convenient manifold for setting up symmetric coordinates in asymptotic rearrangement channels: in the particular cases where the reactions are collinearly dominated, the sphere provides the full chart for the (fixed moment of inertia or hyperradial) mapping of the potential energy surface. Also,the representations can be extended to include connections to a formulation where two particles are symmetrically treated with respect to a third one-as introduced in the Journal of Chemical Physics (1986, 85, 1355)-and to encompass the asymptotic situation of the four body system decomposing into three fragments (T + U + VW, T + UV + W, etc...). Comments are made on other cases pertaining to the symmetric parametrizations of four centre processes.

  9. HM-EH-RT: hybrid multimodal energy harvesting from rotational and translational motions

    Directory of Open Access Journals (Sweden)

    Miles Larkin

    2013-12-01

    Full Text Available This paper presents a novel hybrid multimodal energy harvesting device consisting of an unbalanced rotary disk that supports two transduction methods, piezoelectric and electromagnetic. The device generates electrical energy from oscillatory motion either orthogonal or parallel to the rotary axis to power electronic devices. Analytical models for the electromagnetic and piezoelectric systems were developed to describe the mechanical and electrical behavior of the device. From these models, numerical simulations were performed to predict power generation capabilities. The device was fabricated, and several components were optimized experimentally. The energy harvester was then experimentally characterized using a modal shaker in several different orientations. The device generates a maximum RMS power output of 120 mW from the electromagnetic system at 5 Hz and 0.8 g, and 4.23 mW from the piezoelectric system at 20.2 Hz and 0.4 g excitation acceleration. The device is 180 mm in diameter and 45 mm thick including the rotor height. Further size optimization will produce an energy harvester capable of being used as a wearable device to power mobile electronics for multiple applications.

  10. The barriers to energy efficiency in China: Assessing household electricity savings and consumer behavior in Liaoning Province

    Energy Technology Data Exchange (ETDEWEB)

    Feng Dianshu, E-mail: dianshu@nus.edu.s [Lee Kuan Yew School of Public Policy, Centre on Asia and Globalisation, National University of Singapore, Oei Tiong Ham Building, 469C Bukit Timah Road, Singapore 259772 (Singapore); Sovacool, Benjamin K., E-mail: bsovacool@nus.edu.s [Lee Kuan Yew School of Public Policy, Centre on Asia and Globalisation, National University of Singapore, Oei Tiong Ham Building, 469C Bukit Timah Road, Singapore 259772 (Singapore); Khuong Minh Vu, E-mail: sppkmv@nus.edu.s [Lee Kuan Yew School of Public Policy, Centre on Asia and Globalisation, National University of Singapore, Oei Tiong Ham Building, 469C Bukit Timah Road, Singapore 259772 (Singapore)

    2010-02-15

    This article investigates the barriers to energy efficiency at the residential sector within one province in China and explores patterns of household electricity consumption. The article presents the results of a survey questionnaire distributed to more than 600 households in Liaoning Province, field research at various Liaoning government agencies, and research interviews of Liaoning government officials to determine the efficacy of their energy efficiency efforts in China. It then investigates the extent that electricity consumers have taken advantage of energy efficiency opportunities relating to more efficient lights, water heaters, appliances, air-conditioners and heaters, and better energy-efficiency labels. The article also assesses the degree that electricity users have become more aware about electricity prices and their levels of consumption, and touches on the connection between rising levels of income and electricity use. It concludes by providing recommendations for how to improve efforts to promote conservation and reduce electricity load growth in Liaoning Province and beyond.

  11. The barriers to energy efficiency in China. Assessing household electricity savings and consumer behavior in Liaoning Province

    Energy Technology Data Exchange (ETDEWEB)

    Dianshu, Feng; Sovacool, Benjamin K.; Minh Vu, Khuong [Lee Kuan Yew School of Public Policy, Centre on Asia and Globalisation, National University of Singapore, Oei Tiong Ham Building, 469C Bukit Timah Road, Singapore 259772 (Singapore)

    2010-02-15

    This article investigates the barriers to energy efficiency at the residential sector within one province in China and explores patterns of household electricity consumption. The article presents the results of a survey questionnaire distributed to more than 600 households in Liaoning Province, field research at various Liaoning government agencies, and research interviews of Liaoning government officials to determine the efficacy of their energy efficiency efforts in China. It then investigates the extent that electricity consumers have taken advantage of energy efficiency opportunities relating to more efficient lights, water heaters, appliances, air-conditioners and heaters, and better energy-efficiency labels. The article also assesses the degree that electricity users have become more aware about electricity prices and their levels of consumption, and touches on the connection between rising levels of income and electricity use. It concludes by providing recommendations for how to improve efforts to promote conservation and reduce electricity load growth in Liaoning Province and beyond. (author)

  12. Surface-catalyzed recombination into excited electronic, vibrational, rotational, and kinetic energy states: A review

    Science.gov (United States)

    Kofsky, I. L.; Barrett, J. L.

    1985-01-01

    Laboratory experiments in which recombined CO, CO2, D2O, OH, N2, H2, and O2 molecules desorb from surfaces in excited internal and translational states are briefly reviewed. Unequilibrated distributions predominate from the principally catalytic metal substrates so far investigated. Mean kinetic energies have been observed up to approx. 3x, and in some cases less than, wall-thermal; the velocity distributions generally vary with emission angle, with non-Lambertian particle fluxes. The excitation state populations are found to depend on surface impurities, in an as yet unexplained way.

  13. Binding Energy and Dissociation Barrier: Experimental Determination of the Key Parameters of the Potential Energy Curve of Diethyl Ether on Si(001).

    Science.gov (United States)

    Reutzel, Marcel; Lipponer, Marcus; Dürr, Michael; Höfer, Ulrich

    2015-10-01

    The key parameters of the potential energy curve of organic molecules on semiconductor surfaces, binding energy of the intermediate state and dissociation barrier, were experimentally investigated for the model system of diethyl ether (Et2O) on Si(001). Et2O adsorbs via a datively bonded intermediate from which it converts via ether cleavage into a covalently attached final state. This thermally activated conversion into the final state was followed in real-time by means of optical second-harmonic generation (SHG) at different temperatures and the associated energy barrier ϵa = 0.38 ± 0.05 eV and pre-exponential factor νa = 10(4±1) s(-1) were determined. From molecular beam experiments on the initial sticking probability, the difference between the desorption energy ϵd and ϵa was extracted and thus the binding energy of the intermediate state was determined (0.62 ± 0.08 eV). The results are discussed in terms of general chemical trends as well as with respect to a wider applicability on adsorbate reactions on semiconductor surfaces.

  14. Dimer rotation on the carbon-induced Si(001)-c(4×4) structure

    Science.gov (United States)

    Peng, G. W.; Sun, Y. Y.; Huan, A. C. H.; Feng, Y. P.

    2006-09-01

    We present first-principles results identifying the reaction pathways for Si dimer rotations on the carbon-induced Si(001)-c(4×4) surface. The nudged elastic band calculations show that the recently proposed rotated dimer model [Phys. Rev. Lett. 94, 076102 (2005)] can be obtained from the refined missing dimer model by dimer rotation with small energy barriers. It is found that the energy barrier is sensitive to the rotation directions of Si dimers. The energy barrier along the minimum energy path (MEP) is 0.82eV . Three stable configurations are identified along the MEP, one of which with a single rotated dimer is more stable than all existing models and its energy is lower than that of the rotated dimer model, the previously most stable structure, by 0.25eV per c(4×4) cell. The stabilization mechanism of the new stable structure is analyzed. We propose a possible method to search for new stable structures based on the existing models by mapping out the reaction paths in the phase configuration.

  15. Energy SMEs in sub-Saharan Africa: Outcomes, barriers and prospects in Ghana, Senegal, Tanzania and Zambia

    DEFF Research Database (Denmark)

    Haselip, James Arthur; Desgain, Denis DR; Mackenzie, Gordon A.

    This report presents the findings of research into the main outcomes of government and donor-backed efforts to promote small and medium-sized energy businesses (energy SMEs) in sub-Saharan Africa. The research follows an outcome analysis methodology. The focus is on four countries: Ghana, Senegal...... in this report reaffirm most of what has been concluded in previous studies, including Kolominskas (2003); Mehlwana (2003); Denton (2006) and Napier-Moore (2006). These studies identified the lack of access to affordable finance as the being the predominant, persistent, barrier to establishing and scaling up...... SMEs, supported by donor-backed programmes, influence the commercial financial sector to invest in energy SMEs, thus triggering a virtuous circle of growth and profitability. Experiences drawn from a decade of AREED support across four of the project countries reveal both the presence (Ghana, Senegal...

  16. Wave-driven Rotation in Supersonically Rotating Mirrors

    Energy Technology Data Exchange (ETDEWEB)

    A. Fetterman and N.J. Fisch

    2010-02-15

    Supersonic rotation in mirrors may be produced by radio frequency waves. The waves produce coupled diffusion in ion kinetic and potential energy. A population inversion along the diffusion path then produces rotation. Waves may be designed to exploit a natural kinetic energy source or may provide the rotation energy on their own. Centrifugal traps for fusion and isotope separation may benefit from this wave-driven rotation.

  17. Interaction of rigid C3N- with He: Potential energy surface, bound states, and rotational spectrum

    Science.gov (United States)

    Lara-Moreno, Miguel; Stoecklin, Thierry; Halvick, Philippe

    2017-06-01

    A two-dimensional rigid rotor model of the potential energy surface is developed for the collision of C3N- with He. Ab initio calculations are performed at the coupled cluster level with single and double excitations and using a perturbative treatment of triple excitations. An augmented correlation consistent polarized valence quadruple zeta basis set complemented with a set of mid-bond functions is chosen for these calculations. The global T-shaped minimum (De = 62.114 cm-1) is found at the intermolecular distance R = 6.42 a0. A secondary minimum (De = 41.384 cm-1) is obtained for the linear configuration C3N--He and for R = 9.83 a0. Calculations of the rovibrational bound states are carried out by using a discrete variable representation method based on Sturmian functions. The first theoretical prediction of the absorption spectra for the He-C3N- complex in the microwave region is also provided.

  18. Collision energy dependence of state-to-state differential cross sections for rotationally inelastic scattering of H2O by He.

    Science.gov (United States)

    Sarma, Gautam; Saha, Ashim Kumar; Bishwakarma, Chandan Kumar; Scheidsbach, Roy; Yang, Chung-Hsin; Parker, David; Wiesenfeld, Laurent; Buck, Udo; Mavridis, Lazaros; Marinakis, Sarantos

    2017-02-08

    The inelastic scattering of H2O by He as a function of collision energy in the range 381 cm-1 to 763 cm-1 at an energy interval of approximately 100 cm-1 has been investigated in a crossed beam experiment using velocity map imaging. Change in collision energy was achieved by varying the collision angle between the H2O and He beam. We measured the state-to-state differential cross section (DCS) of scattered H2O products for the final rotational states JKaKc = 110, 111, 221 and 414. Rotational excitation of H2O is probed by (2 + 1) resonance enhanced multiphoton ionization (REMPI) spectroscopy. DCS measurements over a wide range of collision energies allowed us to probe the H2O-He potential energy surface (PES) with greater detail than in previous work. We found that a classical approximation of rotational rainbows can predict the collision energy dependence of the DCS. Close-coupling quantum mechanical calculations were used to produce DCS and partial cross sections. The forward-backward ratio (FBR), is introduced here to compare the experimental and theoretical DCS. Both theory and experiments suggest that an increase in the collision energy is accompanied with more forward scattering.

  19. Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights

    CERN Document Server

    Mussard, Bastien; Angyan, Janos; Toulouse, Julien

    2015-01-01

    We consider several spin-unrestricted random-phase approximation (RPA) variants for calculating correlation energies, with and without range separation, and test them on datasets of atomization energies and reaction barrier heights. We show that range separation greatly improves the accuracy of all RPA variants for these properties. Moreover, we show that a RPA variant with exchange, hereafter referred to as RPAx-SO2, first proposed by Sz-abo and Ostlund [A. Szabo and N. S. Ostlund, J. Chem. Phys. 67, 4351 (1977)] in a spin-restricted closed-shell formalism, and extended here to a spin-unrestricted formalism, provides on average the most accurate range-separated RPA variant for atomization energies and reaction barrier heights. Since this range-separated RPAx-SO2 method had already been shown to be among the most accurate range-separated RPA variants for weak intermolecular interactions [J. Toulouse, W. Zhu, A. Savin, G. Jansen, and J. G. {\\'A}ngy{\\'a}n, J. Chem. Phys. 135, 084119 (2011)], this works confirms...

  20. RENBAR: Overcoming Environmental, Administrative and Socio-economic Barriers to Renewable Energy Technology Deployment. A guidebook

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-07-15

    IEA-RETD prepared a guidebook for policy makers and project developers, illustrating how to deal with possible negative side effects or barriers for deployment of renewable technologies, like visual or noise impacts, or increased local transport for biomass. Many good practices demonstrate that renewables can be integrated in the 'backyards' of modern societies. Some examples: stakeholder involvement, participation and compensation; clear spatial planning; and trustworthy legal procedures. Four case studies are also included.

  1. Barriers and opportunities for labels for highly energy-efficient houses

    NARCIS (Netherlands)

    Mlecnik, E.; Visscher, H.; Hal, van J.D.M. (Anke)

    2010-01-01

    Promoting energy efficiency in the building sector is essential if the agreements of the Kyoto Protocol are to be honoured. Different initiatives for energy labelling of highly energy-efficient residential buildings have emerged throughout Europe as an essential method to stimulate market demand, to

  2. Possibilities and Barriers for Energy Conservation in a Liberalised Electricity Market: Danish Utility Experiences

    DEFF Research Database (Denmark)

    Meyer, Niels I

    1999-01-01

    a sustainable energy development in efficiency and energy conservation. The electric utilities play an important role in this relation, but their priority is of commercial nature rather than concern for the environment. This dilemma is analyzed in more detail in the paper.......Liberalisation of energy markets in Europe is in progress. The expressed goal is to promote efficiency through commercial competition, with lower energy prices for consumers as a consequence. This priority raises some complex questions in relation to the desire of creating a sustainable energy...

  3. The Swedish energy forestry research programme at the Department of Short Rotation Forestry, SUAS, Uppsala. Summary report prepared for the evaluation of the short-rotation forestry research 1993-1996

    Energy Technology Data Exchange (ETDEWEB)

    Ledin, S.; Christersson, L. [eds.

    1996-12-31

    The overall aim of the Department of Short Rotation Forestry is to carry out research for development of basic, theoretical and practical knowledge in the related disciplines of biology, ecology and cultivation techniques in order to reach a high and sustainable production of woody biomass for energy purposes using environmentally acceptable methods. This report gives summaries of nine research programs within the Department, and the reports were prepared for the evaluation of the research during the period 1993-1996. The projects are: 1. Competition in short rotation forests (Theo Verwijst); 2. Carbon allocation as a function of nutrient and water availability (Lars Rytter, Tom Ericsson); 3. States and fluxes of water and carbon dioxide in the soil-plant-atmosphere system (Anders Lindroth); 4. Root dynamics of fast growing deciduous trees (Rose-Marie Rytter); 5. Accumulation and mobilization of root reserves in coppice growth (Lisa Sennerby-Forsse, Lars Bollmark, Yuehua von Fircks); 6. Effects of nutrient supply on frost resistance in fast growing Salix clones (Heinrich von Fircks); 7. Optimizing water and nutrients in poplar and willow plantations for maximum growth (Sune Elowson); 8. Soil biology in relation to energy forestry (Ulf Granhall); and 9. Plant protection in short rotation forestry against fungi and bacteria (Mauritz Ramstedt)

  4. OVERVIEW OF THE U.S. DEPARTMENT OF ENERGY AND NUCLEAR REGULATORY COMMISSION PERFORMANCE ASSESSMENT APPROACHES: CEMENTITIOUS BARRIERS PARTNERSHIP

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C.; Burns, H.

    2009-05-29

    Engineered barriers including cementitious barriers are used at sites disposing or contaminated with low-level radioactive waste to enhance performance of the natural environment with respect to controlling the potential spread of contaminants. Drivers for using cementitious barriers include: high radionuclide inventory, radionuclide characteristics (e.g., long half-live, high mobility due to chemical form/speciation, waste matrix properties, shallow water table, and humid climate that provides water for leaching the waste). This document comprises the first in a series of reports being prepared for the Cementitious Barriers Partnership. The document is divided into two parts which provide a summary of: (1) existing experience in the assessment of performance of cementitious materials used for radioactive waste management and disposal and (2) sensitivity and uncertainty analysis approaches that have been applied for assessments. Each chapter is organized into five parts: Introduction, Regulatory Considerations, Specific Examples, Summary of Modeling Approaches and Conclusions and Needs. The objective of the report is to provide perspective on the state of the practice for conducting assessments for facilities involving cementitious barriers and to identify opportunities for improvements to the existing approaches. Examples are provided in two contexts: (1) performance assessments conducted for waste disposal facilities and (2) performance assessment-like analyses (e.g., risk assessments) conducted under other regulatory regimes. The introductory sections of each section provide a perspective on the purpose of performance assessments and different roles of cementitious materials for radioactive waste management. Significant experience with assessments of cementitious materials associated with radioactive waste disposal concepts exists in the US Department of Energy Complex and the commercial nuclear sector. Recently, the desire to close legacy facilities has created

  5. SOLPLAN Report: An Assessment of Barriers and Incentives to Conservation and Alternative-Energy Use in the Residential Sector in Wisconsin

    Energy Technology Data Exchange (ETDEWEB)

    Fulenwider, Claire K.; Weiss, Lonnie S.; Pfefferkorn, Carol; Wiener, Don E.; Feldman, Stephen L.

    1981-03-01

    The Alternative Energy Policy Project of the Wisconsin Center for Public Policy focused upon two principle objectives: (1) gathering and analyzing new and previously unavailable data on barriers and incentives to greater energy conservation and alternative energy commercialization in the state of Wisconsin; and (2) building consensus around alternative energy policy to develop guidelines for alternative energy policy for the state. Particular attention was paid to public involvement in the policy process and to assessing barriers and incentives from as many key sectors of the energy field as possible. Thus, data were gathered from the general public, alternative energy users, the heating industry generally, the alternative-energy industry specifically, and key decision makers. The report is divided into four principal sections. The first looks at findings and analyses dealing with barriers to greater conservation and alternative energy use. Incentives for accelerating the extent of residential conservation and alternative energy use are discussed in the second section. The decision-making process itself in energy policy has been little analyzed and seldom documented. The role of consensus-building in the alternative-energy field and analysis of the decision-making process are discussed in Section III. Appendices in Section IV provide survey instruments and descriptions, a compendium of energy-related legislation developed within the project, and various reports. The total report reflects the interactive decision-making model as it was applied in SOLPLAN. (MCW)

  6. Republic of Korea Reduction of Financing Barriers for Energy Savings Performance Contracts

    Energy Technology Data Exchange (ETDEWEB)

    Howard, D. L.

    2005-11-01

    This paper discusses the findings developed for strengthening the role of performance contracting in improving energy efficiency in the Republic of Korea. The U.S. Environmental Protection Agency (EPA) sponsored development of this paper by the National Renewable Energy Laboratory (NREL), as a part of the Korean-U.S. Climate Technology Partnerships (CTP) program. The results and recommendations outlined in this paper together with other efforts are designed to assist other countries striving to improve their efficient use of energy.

  7. Institutional dynamics and barriers in wind energy development. A case study of Tamil Nadu and Andhra Pradesh, India

    Energy Technology Data Exchange (ETDEWEB)

    Jagadeesh, Anumakonda

    1999-09-01

    In India, there was a boom in 1995-96 when 282 MW windfarms were set up in Tamil Nadu and the capacity in Andhra Pradesh increased by 39 MW. Then there was a steady decline in the windfarm development in both states. The case study described in this report attempts to trace the reasons for the boom and the factors that have contributed to the slump in windfarm development in these two states. The role of institutions in determining the effectiveness of national and regional public sector initiatives to promote and disseminate wind energy in the two states is discussed. The study also examines the financial, technical, transaction and institutional barriers, which inhibit the diffusion of wind energy in the states. It is suggested that important measures must be taken if wind energy is to develop rapidly in the two states. The result of the case study may be used to improve public policy intervention in disseminating wind energy in India. It may also be relevant to multilateral and bilateral aid agencies in their projects and/or programmes to promote cost-effective wind energy technology dissemination in developing countries. 25 refs., 6 tabs.

  8. Helping people build a better world? Barriers to more environmentally friendly energy production in China: the case of Shell

    Energy Technology Data Exchange (ETDEWEB)

    Buan, Inga Fritzen

    2008-03-15

    China's rapid industrialization and economic expansion are causing massive environmental damage, with consequences beyond the country's borders, especially due to the use of fossil fuels' effect on climate change. Shell China can contribute to making energy production, if not clean and sustainable, then cleaner and more sustainable by making existing energy production more environmentally friendly; by diversifying and developing alternative energy sources; and by creating precedence influencing others to follow in its footsteps. The first goal of this report is to identify and analyze changes that have happened in the Shell Group since the 1990s when energy companies started their 'greening' processes. These changed happened due to stricter environmental legislation, increased civil society pressure and media scrutiny. Changes on the global and headquarters level in a company do not, however, necessitate similar developments in its national and local level operations. The second goal is thus to analyze to which degree the changes in the Shell Group have had relevance for Shell China and whether barriers in the Chinese context influence its prospects to operate in a more environmentally friendly way. (author). 64 refs

  9. Integrating Simplified and Full Life Cycle Approaches in Decision Making for Building Energy Refurbishment: Benefits and Barriers

    Directory of Open Access Journals (Sweden)

    Xabat Oregi

    2015-05-01

    Full Text Available The life cycle assessment (LCA method is a powerful tool that can serve to aid decision making regarding the environmental benefits of refurbishment projects. However, due to the relative complexity of LCA studies, simplified LCA methodologies are frequently used, focusing on just some of the building life cycle phases or a reduced number of indicators. The most common and widespread simplification is to only evaluate the differences a refurbishment project makes on the operational energy use of the building. This paper compares the results of applying full LCA, simplified LCA and operational energy use assessment in a refurbishment case study. Results show that simplified LCA methodologies including building use phase and product manufacturing phase can generally be sufficiently accurate to aid decision making for building energy refurbishment, as other building life cycle phases related to transport of products, on site construction, deconstruction or end of life represent a generally negligible part of the total life cycle impacts, both in terms of resource use or environmental impacts. Barriers and benefits of applying simplified LCA approaches to building energy refurbishment projects are subsequently discussed.

  10. Barriers to Investment in Energy-Saving Technologies in Small Firms: The Energy-Efficiency Paradox Revisited

    NARCIS (Netherlands)

    Koetse, M.J.; de Groot, H.L.F.; Nijkamp, P.

    2008-01-01

    Despite the fact that energy-saving technologies are considered profitable using standard net-present-value calculations, their adoption rates have been low, particularly in small firms. This study reviews the theoretical and empirical literature that explains this phenomenon, generally known as the

  11. Barriers to the diffusion of renewable energy technologies - A case study of the state of Maharashtra, India

    Energy Technology Data Exchange (ETDEWEB)

    Reddy, B.S. [Indira Gandhi Inst. of Development Research, Mumbai (India)

    2001-07-01

    India's expanding economy and the strong growth expected in the next few decades (at around 10% per annum), will require additional energy. The use of fossil fuels is likely to dominate the strategy for meeting these needs in the near and medium term. However, India's own reserves are finite and will only be available for a limited period and the use of fossil fuels is not sustainable and is directly linked to environmental problems, particularly CO{sub 2} emissions and climate change. The importance of the increasing use of renewable energy sources was recognized in India in the early 1970s. During the past quarter century, a significant effort has gone into the development, trial and induction of a variety of technologies for use in different sectors. Today, India has one of the world's largest programs for renewable energy. The activities cower all the major renewable energy sources, including biogas, biomass, solar, wind and small-hydro power and other emerging technologies. By the end of 20th century nearly three million family-sized biogas plants (second in number in the world and next only to China's) and 30 million improved wood stoves have been established. These technologies could save about 15 million tons of fuel wood every year. Several other renewable energy technologies and products are now commercially available, and are economically viable in comparison to fossil fuels for some applications. However, there are many barriers to achieve the full potential of the renewable energy technologies. In order to study the potential and evaluate different RETs, we carried out a study of barriers to RETs in the state of Maharashtra, which accounts for about 16% of the Gross Domestic Product and 17% of the electricity supply in India. The study has been carried out in two parts. In the first part analysis was done on two technologies, viz., solar and wind. For doing this, information was collected from various secondary sources such as

  12. CONTROL ROD ROTATING MECHANISM

    Science.gov (United States)

    Baumgarten, A.; Karalis, A.J.

    1961-11-28

    A threaded rotatable shaft is provided which rotates in response to linear movement of a nut, the shaft being surrounded by a pair of bellows members connected to either side of the nut to effectively seal the reactor from leakage and also to store up energy to shut down the reactor in the event of a power failure. (AEC)

  13. Observation of rotating nuclear molecules and determination of their lifetimes

    Energy Technology Data Exchange (ETDEWEB)

    Comas, V.; Heinz, S.; Ackermann, D.; Heredia, J.; Hessberger, F.P.; Khuyagbaatar, J.; Kindler, B.; Lommel, B.; Mann, R. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Hofmann, S. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Goethe-Universitaet Frankfurt, Institut fuer Physik, Frankfurt (Germany)

    2012-12-15

    Long-living rotating nuclear molecules (or ''dinuclear systems'') have been observed at the velocity filter SHIP at GSI in reactions of {sup 64}Ni + {sup 207}Pb at Coulomb barrier energies. The rotation was directly revealed by the velocity spectra of deep inelastic target-like transfer products which are formed during the lifetime of the nuclear molecule and emitted after its breakup. The corresponding rotation angles were about 180 degree pointing to long nuclear interaction times or lifetimes of the system, respectively. We deduced the lifetimes from the lines in the velocity spectra originating from two different rotation angles. Further, the unambiguous correlation of a certain transfer product with its individual velocity spectrum allowed us to study the lifetimes as a function of the number of transferred protons. (orig.)

  14. Methyl internal rotation in the microwave spectrum of vinyl acetate.

    Science.gov (United States)

    Nguyen, Ha Vinh Lam; Jabri, Atef; Van, Vinh; Stahl, Wolfgang

    2014-12-26

    The rotational spectrum of vinyl acetate, CH3(CO)OCH═CH2, was measured using two molecular beam Fourier transform microwave spectrometers operating in the frequency range from 2 to 40 GHz. Large splittings up to 2 GHz occurred due to the internal rotation of the acetyl methyl group CH3CO with a V3 potential of 151.492(34) cm(-1), much larger than the barrier of approximately 100 cm(-1) often found in acetates. The torsional transitions were fitted using three different programs XIAM, ERHAM, and BELGI-Cs, whereby the rotational constants, centrifugal distortion constants, and the internal rotation parameters could be determined with very high accuracy. The experimental results were supported by quantum chemical calculations. For a conformational analysis, potential energy surfaces were calculated.

  15. High Penetration of Renewable Energy in the Transportation Sector: Scenarios, Barriers, and Enablers; Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Vimmerstedt, L.; Brown, A.; Heath, G.; Mai, T.; Ruth, M.; Melaina, M.; Simpkins, T.; Steward, D.; Warner, E.; Bertram, K.; Plotkin, S.; Patel, D.; Stephens, T.; Vyas, A.

    2012-06-01

    Transportation accounts for 71% of U.S. petroleum use and 33% of its greenhouse gases emissions. Pathways toward reduced greenhouse gas emissions and petroleum dependence in the transportation sector have been analyzed in considerable detail, but with some limitations. To add to this knowledge, the U.S. Department of Energy has launched a study focused on underexplored greenhouse-gas-abatement and oil-savings opportunities related to transportation. This Transportation Energy Futures study analyzes specific issues and associated key questions to strengthen the existing knowledge base and help cultivate partnerships among federal agencies, state and local governments, and industry.

  16. Elastic scattering measurements of {sup 4},{sup 6}He+ {sup 58}Ni at energies near the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Morcelle, V.; Lichtenthaeler, R.; Guimaraes, V.; Lepine-Szily, A.; Faria, P.N.; Camargo, O.; Barioni, A.; Mendes Junior, D.R.; Condori, R.P.; Zamora, J.C.; Morais, M.C.; Pires, K.C.C.; Scarduelli, V.; Leistenschneider, E.; Zagatto, V.A.B. [Universidade de Sao Paulo (USP), SP (Brazil); Shorto, J.M.B. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2011-07-01

    Full text: Elastic scattering angular distributions and total reaction cross sections of the neutron halo projectile nucleus {sup 6}He on a {sup 58}Ni target at energies around the Coulomb barrier are presented. The measurements were obtained at pelletron accelerator at the University of Sao Paulo (Brazil) and the {sup 6}He radioactive secondary beam has been produced in the RIBRAS system through the {sup 9}Be({sup 7}Li, {sup 6}He){sup 10}B production reaction. The elastic scattering angular distributions obtained at E{sub Lab}= 12.5, 16.5 and 21.0 MeV, have been analysed by using optical model, using the Sao Paulo and Wood-Saxon potentials and the respective total reaction cross sections have been obtained. The total reaction cross sections have been reduced using the Wong formula and the UFF equation and are compared with other stable and unstable systems from the literature. (author)

  17. Living with comfort in the Kelheim district. Energy efficient - safe - barrier-free; Wohnen mit Komfort im Landkreis Kelheim. Energieeffizient - sicher - barrierefrei

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-05-01

    In the future, the increasing costs of energy will shape the housing conditions more and more. A house should be built not only energy efficiently but also barrier-free. Under this aspect, the brochure under consideration provides information on the future planning of a building and on the alteration of the existing housing situation. Financial supports and offers of consultancy as well as energy consultants in the Kelheim district (Federal Republic of Germany) are presented.

  18. Rotational seismology

    Science.gov (United States)

    Lee, William H K.

    2016-01-01

    Rotational seismology is an emerging study of all aspects of rotational motions induced by earthquakes, explosions, and ambient vibrations. It is of interest to several disciplines, including seismology, earthquake engineering, geodesy, and earth-based detection of Einstein’s gravitation waves.Rotational effects of seismic waves, together with rotations caused by soil–structure interaction, have been observed for centuries (e.g., rotated chimneys, monuments, and tombstones). Figure 1a shows the rotated monument to George Inglis observed after the 1897 Great Shillong earthquake. This monument had the form of an obelisk rising over 19 metres high from a 4 metre base. During the earthquake, the top part broke off and the remnant of some 6 metres rotated about 15° relative to the base. The study of rotational seismology began only recently when sensitive rotational sensors became available due to advances in aeronautical and astronomical instrumentations.

  19. Spin rotation and oscillations for high energy particles in a crystal and possibility to measure the quadrupole moments and tensor polarizabilities of elementary particles and nuclei

    OpenAIRE

    Baryshevsky, V. G.; Gurinovich, A. A.

    2005-01-01

    It is shown that particle motion in a bent (straight) crystal is accompanied by particle spin rotation and oscillations that allows to measure the tensor electric and magnetic polarizabilities of nuclei and elementary particles. It is shown that channelling of particles in either straight or bent crystal with the polarized nuclei could be used both to analyze polarization of high energy particles and polarize them.

  20. A novel GaN HEMT with double recessed barrier layer for high efficiency-energy applications

    Science.gov (United States)

    Jia, Hujun; Luo, Yehui; Wu, Qiuyuan; Yang, Yintang

    2017-11-01

    In this paper, a novel GaN HEMT with high efficiency-energy characteristic is proposed. Different from the conventional structure, the proposed structure contains double recessed barriers layer (DRBL) beside the gate. The key idea in this work is to improve the microwave output characteristics. The simulated results show that the drain saturation current and peak transconductance of DRBL GaN HEMT is slightly decreased, the transconductance saturation flatness is increased by 0.5 V and the breakdown voltage is also enhanced too. Due to the both recessed barrier layer, the gate-drain/gate-source capacitance is decreased by 6.3% and 11.3%, respectively. The RF simulated results show that the maximum oscillation frequency for DRBL GaN HEMT is increased from 57 GHz to 64 GHz and the saturation power density is 8.7 W/mm at 600 MHz, 6.9 W/mm at 1200 MHz with the higher power added efficiency (PAE). Further investigation show that DRBL GaN HEMT can achieve to 6.4 W/mm and the maximum PAE 83.8% at 2400 MHz. Both are higher than the 5.0 W/mm and 80.3% for the conventional structure. When the operating frequency increases to X band, the DRBL GaN HEMT still exhibits the superior output performances. All the results show that the advantages and the potential capacities of DRBL GaN HEMT at high efficiency-energy are greater than the conventional GaN HEMT.

  1. Disagreement between theory and experiment in the simplest chemical reaction: collision energy dependent rotational distributions for H + D2 --> HD(nu' = 3,j') + D.

    Science.gov (United States)

    Pomerantz, Andrew E; Ausfelder, Florian; Zare, Richard N; Althorpe, Stuart C; Aoiz, F J; Banares, Luis; Castillo, Jesus F

    2004-02-15

    We present experimental rotational distributions for the reaction H + D2 --> HD(nu' = 3,j') + D at eight different collision energies between 1.49 and 1.85 eV. We combine a previous measurement of the state-resolved excitation function for this reaction [Ayers et al., J. Chem. Phys. 119, 4662 (2003)] with the current data to produce a map of the relative reactive cross section as a function of both collision energy and rotational quantum number (an E-j' plot). To compare with the experimental data, we also present E-j' plots resulting from both time-dependent and time-independent quantum mechanical calculations carried out on the BKMP2 surface. The two calculations agree well with each other, but they produce rotational distributions significantly colder than the experiment, with the difference being more pronounced at higher collision energies. Disagreement between theory and experiment might be regarded as surprising considering the simplicity of this system; potential causes of this discrepancy are discussed. Copyright 2004 American Institute of Physics

  2. General relativistic ray-tracing algorithm for the determination of the electron-positron energy deposition rate from neutrino pair annihilation around rotating neutron and quark stars

    Science.gov (United States)

    Kovács, Z.; Harko, T.

    2011-11-01

    We present a full general relativistic numerical code for estimating the energy-momentum deposition rate (EMDR) from neutrino pair annihilation (?). The source of the neutrinos is assumed to be a neutrino-cooled accretion disc around neutron and quark stars. We calculate the neutrino trajectories by using a ray-tracing algorithm with the general relativistic Hamilton's equations for neutrinos and derive the spatial distribution of the EMDR due to the annihilations of neutrinos and antineutrinos around rotating neutron and quark stars. We obtain the EMDR for several classes of rotating neutron stars, described by different equations of state of the neutron matter, and for quark stars, described by the Massachusetts Institute of Technology (MIT) bag model equation of state and in the colour-flavour-locked (CFL) phase. The distribution of the total annihilation rate of the neutrino-antineutrino pairs around rotating neutron and quark stars is studied for isothermal discs and accretion discs in thermodynamical equilibrium. We demonstrate both the differences in the equations of state for neutron and quark matter and rotation with the general relativistic effects significantly modify the EMDR of the electrons and positrons generated by the neutrino-antineutrino pair annihilation around compact stellar objects, as measured at infinity.

  3. Energy renovation of Danish single-family houses Economy - barrier, motivation and limit

    DEFF Research Database (Denmark)

    Mortensen, Andrea; Heiselberg, Per Kvols; Plenge, Mary-Ann Knudstrup

    From the results, it is clear that the knowledge about possible subsidies and counseling is not great among the respondents. They neither know about the possibilities to seek information and advice, nor do they know about the schemes from which grants are given in relation to energy savings......, because the homeowners here have a higher than average interest in conducting similar project, hence a higher investment limit. • When the homeowners are young as this is where the interesting investment is largest. • In households with a high yearly income. Both the interest in similar projects...

  4. Symbolic derivation of high-order Rayleigh-Schroedinger perturbation energies using computer algebra: Application to vibrational-rotational analysis of diatomic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Herbert, John M. [Kansas State Univ., Manhattan, KS (United States). Dept. of Chemistry

    1997-01-01

    Rayleigh-Schroedinger perturbation theory is an effective and popular tool for describing low-lying vibrational and rotational states of molecules. This method, in conjunction with ab initio techniques for computation of electronic potential energy surfaces, can be used to calculate first-principles molecular vibrational-rotational energies to successive orders of approximation. Because of mathematical complexities, however, such perturbation calculations are rarely extended beyond the second order of approximation, although recent work by Herbert has provided a formula for the nth-order energy correction. This report extends that work and furnishes the remaining theoretical details (including a general formula for the Rayleigh-Schroedinger expansion coefficients) necessary for calculation of energy corrections to arbitrary order. The commercial computer algebra software Mathematica is employed to perform the prohibitively tedious symbolic manipulations necessary for derivation of generalized energy formulae in terms of universal constants, molecular constants, and quantum numbers. As a pedagogical example, a Hamiltonian operator tailored specifically to diatomic molecules is derived, and the perturbation formulae obtained from this Hamiltonian are evaluated for a number of such molecules. This work provides a foundation for future analyses of polyatomic molecules, since it demonstrates that arbitrary-order perturbation theory can successfully be applied with the aid of commercially available computer algebra software.

  5. Coastal Ohio Wind Project for Reduced Barriers to Deployment of Offshore Wind Energy

    Energy Technology Data Exchange (ETDEWEB)

    Gorsevski, Peter; Afjeh, Abdollah; Jamali, Mohsin; Carroll, Michael

    2014-04-09

    beginning at the stagnation region and spreading in the downstream direction in time. When comparing ice accumulation characteristics for the four coatings tested, for ice thickness during accumulation the CRC6040R3 had the least, followed by the ESL, Flex, and TP. However, when comparing the coatings’ ability to reduce ice adhesion, the Flex showed the highest adhesion reduction, followed by the ESL, TP and CRC 6040R3 coatings. The ice accumulated on the Flex coated surface shed under gravity when rotated 90 degrees following the tests while the other coatings required application of varying degrees of force to remove the ice. In conclusion, the ice coatings tested were not sufficient in preventing ice accumulation on all surfaces. However, Flex coating shows promise in mitigating ice on the rotor blades under the gravitational and centrifugal forces. Only the effect of gravity in shedding the ice was considered in this study. Further research will be needed to evaluate this coating on rotating blades in the icing tunnel to characterize its effectiveness. Lastly, the development of economic feasibility models used existing approaches adapted for offshore deployment in marine settings to one more suitable for Lake Erie deployment. Two different wind turbine models were tested and dynamic return on investment (ROI) model scenarios were generated. For the purpose of estimating power generation three bladed wind turbines of 3 MW capacity were selected including Model1- Leitwind LTW101-3.000-kW and Model2-Vostro V90-3.0 MW. The analysis were based on the revenue aspect of decision making of deploying wind turbines in the Ohio coastal region. The installation cost, maintenance and operational aspects were disregarded due to unavailability of data. The adjusted varying price (residential and industrial sector) and projected future price of electricity in different years suggested that the Leitwind model could generate $32.4 million of revenue in 25 years if the supply

  6. Balancing the daylighting and energy performance of solar screens in residential desert buildings: Examination of screen axial rotation and opening aspect ratio

    KAUST Repository

    Sabry, Hanan

    2014-05-01

    Solar screens are typically used to control solar access into building spaces. They proved their usefulness in improving the daylighting and energy performance of buildings in the hot arid desert environments which are endowed with abundance of clear skies.The daylighting and energy performance of solar screens is affected by many parameters. These include screen perforation, depth, reflectivity and color, aspect ratio of openings, shape, tilt angle and rotation. Changing some of these parameters can improve the daylighting performance drastically. However, this can result in increased energy consumption. A balanced solution must be sought, where acceptable daylighting performance would be achieved at minimum energy consumption.This paper aims at defining solar screen designs that achieve visual comfort and at the same time minimum energy consumption in residential desert settings. The study focused on the effect of changing the solar screen axial rotation and the aspect ratio of its openings under the desert clear-sky. The individual and combined effects of changing these parameters were studied.Results of this study demonstrated that a non-rotated solar screen that has wide horizontal openings (aspect ratio of 18:1) proved to be successful in the north and south orientations. Its performance in the east/west orientations was also superior. In contrast, the screen that was rotated along its vertical axis while having small size openings (aspect ratio of 1:1) proved to be more successful in the east/west orientations. Its performance in the north orientation was also good. These solutions enhanced daylighting performance, while maintaining the energy consumption at a minimum.Moreover, it was observed that combining two screen parameters which proved useful in previous studies on daylighting or thermal performance does not add up to better solutions. The combined solutions that were tested in this study did not prove successful in satisfying daylighting and thermal

  7. Safety analysis of a corn processing industry by energy trace and barrier analysis method: a case study

    Directory of Open Access Journals (Sweden)

    SB. Mortazavi

    2007-09-01

    Full Text Available Background and aims   Each year many people die from accidents at work. Enormous costs of these accidents have forced specialists looking for ways to prevention of accidents. This study focuses on evaluation the safety of glucose production unit by energy trace and barrier analysis (ETBA and present approaches to prevention of accidents.   Methods   Steps to perform ETBAmethod was completed in the field study. Data was collected by interview with workers and supervisors, document surveys and direct observations. 41 ETBA worksheets were completed for seven fold parts of production unit. Most unacceptable risks were   found in starch site.   Results   Findings showed that unwanted flow of potential energies create the most unacceptable risks in production unit. We concluded that the human factors would play main roll  in reduction of risks and control hazards. Also, administrative controls are suggested, especially  establishment of repairing and preventive maintenance system, organizing team for investigation  and record keeping of accidents, reporting and scientific analyzing of accidents and incidents  would reduce the total risk of industry.   Conclusion It will be useful to use the techniques that research human role in accidents associated with ETBA method.

  8. Theoretical prediction of energy release rate for interface crack initiation by thermal stress in environmental barrier coatings for ceramics

    Science.gov (United States)

    Kawai, E.; Umeno, Y.

    2017-05-01

    As weight reduction of turbines for aircraft engines is demanded to improve fuel consumption and curb emission of carbon dioxide, silicon carbide (SiC) fiber reinforced SiC matrix composites (SiC/SiC) are drawing enormous attention as high-pressure turbine materials. For preventing degradation of SiC/SiC, environmental barrier coatings (EBC) for ceramics are deposited on the composites. The purpose of this study is to establish theoretical guidelines for structural design which ensures the mechanical reliability of EBC. We conducted finite element method (FEM) analysis to calculate energy release rates (ERRs) for interface crack initiation due to thermal stress in EBC consisting of Si-based bond coat, Mullite and Ytterbium (Yb)-silicate layers on a SiC/SiC substrate. In the FEM analysis, the thickness of one EBC layer was changed from 25 μm to 200 μm while the thicknesses of the other layers were fixed at 25 μm, 50 μm and 100 μm. We compared ERRs obtained by the FEM analysis and a simple theory for interface crack in a single-layered structure where ERR is estimated as nominal strain energy in the coating layers multiplied by a constant factor (independent of layer thicknesses). We found that, unlike the case of single-layered structures, the multiplication factor is no longer a constant but is determined by the combination of consisting coating layer thicknesses.

  9. The Immune System Bridges the Gut Microbiota with Systemic Energy Homeostasis: Focus on TLRs, Mucosal Barrier, and SCFAs.

    Science.gov (United States)

    Spiljar, Martina; Merkler, Doron; Trajkovski, Mirko

    2017-01-01

    The gut microbiota is essential for the development and regulation of the immune system and the metabolism of the host. Germ-free animals have altered immunity with increased susceptibility to immunologic diseases and show metabolic alterations. Here, we focus on two of the major immune-mediated microbiota-influenced components that signal far beyond their local environment. First, the activation or suppression of the toll-like receptors (TLRs) by microbial signals can dictate the tone of the immune response, and they are implicated in regulation of the energy homeostasis. Second, we discuss the intestinal mucosal surface is an immunologic component that protects the host from pathogenic invasion, is tightly regulated with regard to its permeability and can influence the systemic energy balance. The short chain fatty acids are a group of molecules that can both modulate the intestinal barrier and escape the gut to influence systemic health. As modulators of the immune response, the microbiota-derived signals influence functions of distant organs and can change susceptibility to metabolic diseases.

  10. The Immune System Bridges the Gut Microbiota with Systemic Energy Homeostasis: Focus on TLRs, Mucosal Barrier, and SCFAs

    Directory of Open Access Journals (Sweden)

    Martina Spiljar

    2017-10-01

    Full Text Available The gut microbiota is essential for the development and regulation of the immune system and the metabolism of the host. Germ-free animals have altered immunity with increased susceptibility to immunologic diseases and show metabolic alterations. Here, we focus on two of the major immune-mediated microbiota-influenced components that signal far beyond their local environment. First, the activation or suppression of the toll-like receptors (TLRs by microbial signals can dictate the tone of the immune response, and they are implicated in regulation of the energy homeostasis. Second, we discuss the intestinal mucosal surface is an immunologic component that protects the host from pathogenic invasion, is tightly regulated with regard to its permeability and can influence the systemic energy balance. The short chain fatty acids are a group of molecules that can both modulate the intestinal barrier and escape the gut to influence systemic health. As modulators of the immune response, the microbiota-derived signals influence functions of distant organs and can change susceptibility to metabolic diseases.

  11. Energy barrier development at the metal chain-metallic carbon nanotube nanocontact

    CERN Document Server

    Kong, K J; Ihm, J S

    1999-01-01

    We perform ab initio pseudopotential calculations for a nanocontact between a metallic carbon nanotube and a copper chain. We find that the on-top position is the most stable geometry of the copper chain on the nanotube and a local energy gap of <= 0.1 eV opens as the mirror symmetry of the nanotube is broken by the presence of copper. A weak ionic bonding is formed between the tube and the copper chain and the charge density in the conducting channel around the Fermi level is reduced at the contact region. Therefore, the electronic transport across the contact occurs essentially through the tunneling process. Appearance of such a locally semiconducting property in the intrinsically metallic carbon nanotube can explain the unusual low-temperature current-voltage characteristics exhibiting a huge contact resistance or a quantum dot behavior.

  12. Edge energy transport barrier and turbulence in the I-mode regime on Alcator C-Moda)

    Science.gov (United States)

    Hubbard, A. E.; Whyte, D. G.; Churchill, R. M.; Cziegler, I.; Dominguez, A.; Golfinopoulos, T.; Hughes, J. W.; Rice, J. E.; Bespamyatnov, I.; Greenwald, M. J.; Howard, N.; Lipschultz, B.; Marmar, E. S.; Reinke, M. L.; Rowan, W. L.; Terry, J. L.

    2011-05-01

    We report extended studies of the I-mode regime [Whyte et al., Nucl. Fusion 50, 105005 (2010)] obtained in the Alcator C-Mod tokamak [Marmar et al., Fusion Sci. Technol. 51(3), 3261 (2007)]. This regime, usually accessed with unfavorable ion B × ∇B drift, features an edge thermal transport barrier without a strong particle transport barrier. Steady I-modes have now been obtained with favorable B × ∇B drift, by using specific plasma shapes, as well as with unfavorable drift over a wider range of shapes and plasma parameters. With favorable drift, power thresholds are close to the standard scaling for L-H transitions, while with unfavorable drift they are ˜ 1.5-3 times higher, increasing with Ip. Global energy confinement in both drift configurations is comparable to H-mode scalings, while density profiles and impurity confinement are close to those in L-mode. Transport analysis of the edge region shows a decrease in edge χeff, by typically a factor of 3, between L- and I-mode. The decrease correlates with a drop in mid-frequency fluctuations (f ˜ 50-150 kHz) observed on both density and magnetics diagnostics. Edge fluctuations at higher frequencies often increase above L-mode levels, peaking at f ˜ 250 kHz. This weakly coherent mode is clearest and has narrowest width (Δf/f ˜ 0.45) at low q95 and high Tped, up to 1 keV. The Er well in I-mode is intermediate between L- and H-mode and is dominated by the diamagnetic contribution in the impurity radial force balance, without the Vpol shear typical of H-modes.

  13. Ion energy and angular distributions onto polymer surfaces delivered by dielectric barrier discharge filaments in air: I. Flat surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Babaeva, Natalia Yu; Kushner, Mark J, E-mail: nbabaeva@umich.edu, E-mail: mjkush@umich.edu [University of Michigan, Department of Electrical Engineering and Computer Science 1301 Beal Ave, Ann Arbor, MI 48109 (United States)

    2011-06-15

    In atmospheric pressure discharges, ion energies are typically thought to be thermal with values dominantly <1 eV. In the heads of filaments in dielectric barrier discharges (DBDs), electric fields can exceed 200 kV cm{sup -1} when the filament is far from a surface. As the filament approaches and intersects a dielectric surface, much of the applied potential is compressed into the voltage drop across the head of the filament due to the high conductivity of the trailing plasma channel. When the filament strikes the surface, this voltage is transferred to the resulting sheath and into the material of the surface. The degree of electric field compression depends on the dielectric constant {epsilon}/{epsilon}{sub 0} of the surface. Upon intersection of the filament with the surface, the electric fields in the resulting sheath can exceed 400-800 kV cm{sup -1}, with larger values corresponding to larger {epsilon}/{epsilon}{sub 0}. When accelerated in these fields, ions can gain energies across their mean free path (0.5-1 {mu}m) up to 20 eV for dielectrics with low {epsilon}/{epsilon}{sub 0} and up to 150 eV for dielectrics with high {epsilon}/{epsilon}{sub 0}, albeit only for the duration of the intersection of the streamer with the surface of a few ns. In this paper we report on results from a computational investigation of the ion energy and angular distributions (IEADs) incident on dielectric flat surfaces resulting from the intersection of DBD filaments sustained in atmospheric pressure air. We describe the transient and spatially dependent IEADs as the filament spreads across the polymer.

  14. Inter-Layer Energy Transfer through Wetting-Layer States in Bi-layer InGaAs/GaAs Quantum-Dot Structures with Thick Barriers

    DEFF Research Database (Denmark)

    Xu, Zhang-Cheng; Zhang, Ya-Ting; Hvam, Jørn Märcher

    2009-01-01

    The inter-layer energy transfer in a bi-layer InGaAs/GaAs quantum dot structure with a thick GaAs barrier is studied using temperature-dependent photoluminescence. The abnormal enhancement of the photoluminescence of the QDs in the layer with a larger amount of coverage at 110K is observed, which...

  15. Influence of incomplete fusion on complete fusion at energies above the Coulomb barrier

    Science.gov (United States)

    Shuaib, Mohd; Sharma, Vijay R.; Yadav, Abhishek; Sharma, Manoj Kumar; Singh, Pushpendra P.; Singh, Devendra P.; Kumar, R.; Singh, R. P.; Muralithar, S.; Singh, B. P.; Prasad, R.

    2017-10-01

    In the present work, excitation functions of several reaction residues in the system 19F+169Tm, populated via the complete and incomplete fusion processes, have been measured using off-line γ-ray spectroscopy. The analysis of excitation functions has been done within the framework of statistical model code pace4. The excitation functions of residues populated via xn and pxn channels are found to be in good agreement with those estimated by the theoretical model code, which confirms the production of these residues solely via complete fusion process. However, a significant enhancement has been observed in the cross-sections of residues involving α-emitting channels as compared to the theoretical predictions. The observed enhancement in the cross-sections has been attributed to the incomplete fusion processes. In order to have a better insight into the onset and strength of incomplete fusion, the incomplete fusion strength function has been deduced. At present, there is no theoretical model available which can satisfactorily explain the incomplete fusion reaction data at energies ≈4-6 MeV/nucleon. In the present work, the influence of incomplete fusion on complete fusion in the 19F+169Tm system has also been studied. The measured cross-section data may be important for the development of reactor technology as well. It has been found that the incomplete fusion strength function strongly depends on the α-Q value of the projectile, which is found to be in good agreement with the existing literature data. The analysis strongly supports the projectile-dependent mass-asymmetry systematics. In order to study the influence of Coulomb effect ({Z}{{P}}{Z}{{T}}) on incomplete fusion, the deduced strength function for the present work is compared with the nearby projectile-target combinations. The incomplete fusion strength function is found to increase linearly with {Z}{{P}}{Z}{{T}}, indicating a strong influence of Coulomb effect in the incomplete fusion reactions.

  16. Current-induced energy barrier suppression for electromigration from first principles

    Science.gov (United States)

    Zhang, Ruoxing; Rungger, Ivan; Sanvito, Stefano; Hou, Shimin

    2011-08-01

    We present an efficient method for evaluating current-induced forces in nanoscale junctions, which naturally integrates into the nonequilibrium Green's function formalism implemented within density functional theory. This allows us to perform dynamic atomic relaxation in the presence of an electric current while evaluating the current-voltage characteristics. The central idea consists of expressing the system energy density matrix in terms of Green's functions. To validate our implementation, we perform a series of benchmark calculations, both at zero and at finite bias. First we evaluate the current-induced forces acting over an Al nanowire and compare them with previously published results for fixed geometries. Then we perform structural relaxation of the same wires under bias and determine the critical voltage at which they break. We find that although a perfectly straight wire does not break at any of the voltages considered, a zigzag wire is more fragile and snaps at 1.4 V, with the Al atoms moving against the electron flow. The critical current density for the rupture is estimated to be 9.6 × 1010 A/cm2, in good agreement with the experimentally measured value of 5 × 1010 A/cm2. Finally, we demonstrate the capability of our scheme to tackle the electromigration problem by studying the current-induced motion of a single Si atom covalently attached to the sidewall of a (4,4) armchair single-walled carbon nanotube. Our calculations indicate that if Si is attached along the current path, then current-induced forces can induce migration. In contrast, if the bonding site is away from the current path, then the adatom remains stable regardless of the voltage. An analysis based on decomposing the total force into a wind and an electrostatic component, as well as on a detailed evaluation of the bond currents, shows that this remarkable electromigration phenomenon is due solely to the position-dependent wind force.

  17. Current-induced energy barrier suppression for electromigration from first principles

    KAUST Repository

    Zhang, Ruoxing

    2011-08-01

    We present an efficient method for evaluating current-induced forces in nanoscale junctions, which naturally integrates into the nonequilibrium Green\\'s function formalism implemented within density functional theory. This allows us to perform dynamic atomic relaxation in the presence of an electric current while evaluating the current-voltage characteristics. The central idea consists of expressing the system energy density matrix in terms of Green\\'s functions. To validate our implementation, we perform a series of benchmark calculations, both at zero and at finite bias. First we evaluate the current-induced forces acting over an Al nanowire and compare them with previously published results for fixed geometries. Then we perform structural relaxation of the same wires under bias and determine the critical voltage at which they break. We find that although a perfectly straight wire does not break at any of the voltages considered, a zigzag wire is more fragile and snaps at 1.4 V, with the Al atoms moving against the electron flow. The critical current density for the rupture is estimated to be 9.6 × 1010 A/cm2, in good agreement with the experimentally measured value of 5 × 1010 A/cm2. Finally, we demonstrate the capability of our scheme to tackle the electromigration problem by studying the current-induced motion of a single Si atom covalently attached to the sidewall of a (4,4) armchair single-walled carbon nanotube. Our calculations indicate that if Si is attached along the current path, then current-induced forces can induce migration. In contrast, if the bonding site is away from the current path, then the adatom remains stable regardless of the voltage. An analysis based on decomposing the total force into a wind and an electrostatic component, as well as on a detailed evaluation of the bond currents, shows that this remarkable electromigration phenomenon is due solely to the position-dependent wind force. © 2011 American Physical Society.

  18. Depression of reactivity by the collision energy in the single barrier H + CD4 → HD + CD3 reaction

    Science.gov (United States)

    Zhang, Weiqing; Zhou, Yong; Wu, Guorong; Lu, Yunpeng; Pan, Huilin; Fu, Bina; Shuai, Quan; Liu, Lan; Liu, Shu; Zhang, Liling; Jiang, Bo; Dai, Dongxu; Lee, Soo-Ying; Xie, Zhen; Braams, Bastiaan J.; Bowman, Joel M.; Collins, Michael A.; Zhang, Dong H.; Yang, Xueming

    2010-01-01

    Crossed molecular beam experiments and accurate quantum scattering calculations have been carried out for the polyatomic H + CD4 → HD + CD3 reaction. Unprecedented agreement has been achieved between theory and experiments on the energy dependence of the integral cross section in a wide collision energy region that first rises and then falls considerably as the collision energy increases far over the reaction barrier for this simple hydrogen abstraction reaction. Detailed theoretical analysis shows that at collision energies far above the barrier the incoming H-atom moves so quickly that the heavier D-atom on CD4 cannot concertedly follow it to form the HD product, resulting in the decline of reactivity with the increase of collision energy. We propose that this is also the very mechanism, operating in many abstraction reactions, which causes the differential cross section in the backward direction to decrease substantially or even vanish at collision energies far above the barrier height. PMID:20615988

  19. IUPAC critical evaluation of the rotational-vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O

    Science.gov (United States)

    Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Császár, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.; Al Derzi, Afaf R.; Fábri, Csaba; Fazliev, Alexander Z.; Furtenbacher, Tibor; Gordon, Iouli E.; Lodi, Lorenzo; Mizus, Irina I.

    2013-03-01

    This is the third of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, and energy levels, with associated critically reviewed labels and uncertainties, for all the main isotopologues of water. This paper presents experimental line positions, experimental-quality energy levels, and validated labels for rotational-vibrational transitions of the most abundant isotopologue of water, H216O. The latest version of the MARVEL (Measured Active Rotational-Vibrational Energy Levels) line-inversion procedure is used to determine the rovibrational energy levels of the electronic ground state of H216O from experimentally measured lines, together with their self-consistent uncertainties, for the spectral region up to the first dissociation limit. The spectroscopic network of H216O containstwo components, an ortho (o) and a para (p) one. For o-H216O and p-H216O, experimentally measured, assigned, and labeled transitions were analyzed from more than 100 sources. The measured lines come from one-photon spectra recorded at room temperature in absorption, from hot samples with temperatures up to 3000 K recorded in emission, and from multiresonance excitation spectra which sample levels up to dissociation. The total number of transitions considered is 184 667 of which 182 156 are validated: 68 027 between para states and 114 129 ortho ones. These transitions give rise to 18 486 validated energy levels, of which 10 446 and 8040 belong to o-H216O and p-H216O, respectively. The energy levels, including their labeling with approximate normal-mode and rigid-rotor quantum numbers, have been checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators as well as against previous compilations of energy levels. The extensive list of MARVEL lines and levels obtained are deposited in the supplementary data of this paper, as well as in a distributed information system

  20. Biomass production and nutrient cycling in Eucalyptus short rotation energy forests in New Zealand. 1: biomass and nutrient accumulation

    Energy Technology Data Exchange (ETDEWEB)

    Guo, L.B.; Sims, R.E.H. [Massey University, Palmerston North (New Zealand). Institute of Technology and Engineering; Horne, D.J. [Massey University, Palmerston North (New Zealand). Institute of Natural Resources

    2002-12-01

    Accumulation of biomass and nutrients (N, P, K, Ca, Mg and Mn) was measured during the first 3- year rotation of three Eucalyptus short rotation forest species (E. botryoides, E. globulus and E. ovata) irrigated with meatworks effluent compared with no irrigation. E. globulus had the highest biomass and nutrient accumulation either irrigated with effluent or without irrigation. After 3-year growth, E. globulus stands irrigated with effluent accumulated 72 oven dry t/ha of above-ground total biomass with a total of 651 kg N, 55 kg P, 393 kg K, 251 kg Ca, 35 kg Mg and 67 kg Mn. Effluent irrigation increased the accumulation of biomass, N, P, K and Mn, but tended to reduce the leaf area index and leaf biomass, and decreased the accumulation of Ca and Mg. (author)

  1. Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein.

    Science.gov (United States)

    Kanematsu, Yusuke; Kamikubo, Hironari; Kataoka, Mikio; Tachikawa, Masanori

    2016-01-01

    Photoactive yellow protein (PYP) has a characteristic hydrogen bond (H bond) between p-coumaric acid chromophore and Glu46, whose OH bond length has been observed to be 1.21 Å by the neutron diffraction technique [Proc. Natl. Acad. Sci. 106, 440-4]. Although it has been expected that such a drastic elongation of the OH bond could be caused by the quantum effect of the hydrogen nucleus, previous theoretical computations including the nuclear quantum effect have so far underestimated the bond length by more than 0.07 Å. To elucidate the origin of the difference, we performed a vibrational analysis of the H bond on potential energy curve with O…O distance of 2.47 Å on the equilibrium structure, and that with O…O distance of 2.56 Å on the experimental crystal structure. While the vibrationally averaged OH bond length for equilibrium structure was underestimated, the corresponding value for crystal structure was in reasonable agreement with the corresponding experimental values. The elongation of the O…O distance by the quantum mechanical or thermal fluctuation would be indispensable for the formation of a low-barrier hydrogen bond in PYP.

  2. Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein

    Directory of Open Access Journals (Sweden)

    Yusuke Kanematsu

    2016-01-01

    Full Text Available Photoactive yellow protein (PYP has a characteristic hydrogen bond (H bond between p-coumaric acid chromophore and Glu46, whose OH bond length has been observed to be 1.21 Å by the neutron diffraction technique [Proc. Natl. Acad. Sci. 106, 440–4]. Although it has been expected that such a drastic elongation of the OH bond could be caused by the quantum effect of the hydrogen nucleus, previous theoretical computations including the nuclear quantum effect have so far underestimated the bond length by more than 0.07 Å. To elucidate the origin of the difference, we performed a vibrational analysis of the H bond on potential energy curve with O…O distance of 2.47 Å on the equilibrium structure, and that with O…O distance of 2.56 Å on the experimental crystal structure. While the vibrationally averaged OH bond length for equilibrium structure was underestimated, the corresponding value for crystal structure was in reasonable agreement with the corresponding experimental values. The elongation of the O…O distance by the quantum mechanical or thermal fluctuation would be indispensable for the formation of a low-barrier hydrogen bond in PYP.

  3. Reaction study of {sup 11}Li on {sup 208}Pb target at energies close the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Cubero, Mario; Jose Borge, Maria; Tengblad, Olof; Alcorta, Martin; Madurga, Miguel [Instituto de Estructura de la Materia, Madrid (Spain); Camacho, Joaquin [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, Sevilla (Spain); Martel, Ismael [Departamento de Fisica Aplicada, Universidad de Huelva, Huelva (Spain); Walden, Pat [TRI-University Meson Facilities, University of British Columbia, Vancouver (Canada)

    2009-07-01

    In the past 20 years there has been interest among the nuclear physics community to study the exotic properties observed in halo nuclei such as {sup 11}Li. Recent theoretical calculations predicted a deviation of the elastic cross section from the standard Rutherford formula, expected due to the dipole structure formed by the {sup 9}Li core and the halo neutrons when passing near the strong Coulomb produced by the Pb target. To explore this effect, the scattering and breakup reactions of the two-neutron halo nucleus {sup 11}Li were measured at ISACII-TRIUMF. Data was obtained at energies around, below and above the Coulomb barrier, 2.7 MeV/u. We used a set of four telescopes with PAD silicon detectors behind in order to clearly identified all fragments in the full detection angles covering 10-140 degree.In this contribution we present the analysis of the {sup 9}Li scattering data that it is needed to understand the effect on the {sup 11}Li cross sections. We also present preliminary results of the {sup 11}Li scattering.

  4. Mass distribution and mass-resolved angular distribution in the 16O+238U reaction at sub-barrier energy

    Science.gov (United States)

    Nag, T. N.; Tripathi, R.; Sodaye, S.; Sudarshan, K.; Ramachandran, K.; Nayak, B. K.; Pujari, P. K.

    2017-10-01

    Background: The angular distribution of fission fragments or products is a sensitive probe to investigate non-compound-nucleus (NCN) fission. However, the gross angular distribution cannot distinguish between different NCN fission processes. Both preequilibrium fission and quasifission contribute to NCN fission and would both result in deviations from the statistical saddle point model (SSPM). Mass-resolved angular distributions of the fission product offers the possibility to distinguish between the two mechanisms [Sodaye et al., Phys. Rev. C 95, 014612 (2017), 10.1103/PhysRevC.95.014612; Tripathi et al., Phys. Rev. C 88, 024603 (2013), 10.1103/PhysRevC.88.024603; Vorkapic and Ivanisevic, Phys. Rev. C 55, 2711 (1997), 10.1103/PhysRevC.55.2711]. Purpose: Mass and mass-resolved angular distributions of fission products have been measured in the 16O+238U reaction at Elab=85.3 MeV to investigate the dominant NCN fission mechanism at sub-barrier energy. Method: Mass and mass-resolved angular distributions were measured by recoil catcher technique followed by offline γ-ray spectrometry. Results: The mass distribution was observed to be predominantly asymmetric. The angular anisotropy of the fission products was observed to be independent of their mass. Conclusions: The mass independence of the angular anisotropy suggested quasifission to be the dominant NCN fission process. This was further confirmed from the underestimation of angular anisotropy by theoretical calculations even after including the contribution from preequilibrium fission.

  5. A multilayer ΔE-E R telescope for breakup reactions at energies around the Coulomb barrier

    Science.gov (United States)

    Ma, Nan-Ru; Lin, Cheng-Jian; Wang, Jian-Song; Yang, Lei; Wang, Dong-Xi; Zheng, Lei; Xu, Shi-Wei; Sun, Li-Jie; Jia, Hui-Ming; Ma, Jun-Bing; Ma, Peng; Jin, Shi-Lun; Bai, Zhen; Yang, Yan-Yun; Xu, Xin-Xing; Zhang, Gao-Long; Yang, Feng; He, Jian-Jun; Zhang, Huan-Qiao; Liu, Zu-Hua

    2016-11-01

    The breakup reactions of weakly-bound nuclei at energies around the Coulomb barrier and the corresponding coupling effect on the other reaction channels are hot topics nowadays. To overcome the difficulty in identifying both heavier and lighter fragments simultaneously, a new kind of ionization-chamber based detector telescope has been designed and manufactured. It consists of a PCB ionization chamber and three different thickness silicon detectors installed inside the chamber, which form a multilayer ΔE-E R telescope. The working conditions were surveyed by using an α source. An in-beam test experiment shows that the detector has good particle identification for heavy particles like 17F and 16O as well as light particles like protons and alpha particles. The measured quasi-elastic scattering angular distribution and the related discussions for 17F+208Pb are presented. Supported by National Key Basic Research Development Program of China (2013CB834404) and National Natural Science Foundation of China (11375268, 11475263, U1432127, U1432246).

  6. Applicability of colloid filtration theory in size-distributed, reduced porosity, granular media in the absence of energy barriers.

    Science.gov (United States)

    Pazmino, Eddy F; Ma, Huilian; Johnson, William P

    2011-12-15

    The vast majority of colloid transport experiments use granular porous media with narrow size distribution to facilitate comparison with colloid filtration theory, which represents porous media with a single collector size. In this work we examine retention of colloids ranging in size from 0.21 to 9.1 μm in diameter, in columns packed with uniform and size-distributed borosilicate glass bead porous media with porosity ranging from 0.38 to 0.28. Conditions were favorable to attachment (absent a significant energy barrier). The goal was to determine the applicability of colloid filtration theory to colloid retention in these media. We also directly observed deposition at the pore scale in packed flow cells. The pore domain was characterized via high resolution computerized X-ray micro tomography (HRXMT). The flow field was examined using Lattice-Boltzmann flow simulation methods (LBM). The influence of preferential flow paths on colloid retention in the lowest porosity media was accounted for by correcting the fluid velocity. Straining in pore throats too small to pass was not a significant contributor to colloid retention despite colloid-to-collector size ratios up to 0.05. Mechanistic simulations via the Ma-Pedel-Fife-Johnson correlation equation (MPFJ) for colloid filtration predicted the experimentally observed trends in deposition with porosity when a number-based mean grain size was used.

  7. Energy plants increasingly important. Scientific results and practical experiences on the production of biogas plants and short rotation coppices. Symposium; Energiepflanzen im Aufwind. Wissenschaftliche Ergebnisse und praktische Erfahrungen zur Produktion von Biogaspflanzen und Feldholz. Fachtagung

    Energy Technology Data Exchange (ETDEWEB)

    Heiermann, M.; Scholz, V.; Foltan, H. (comps.)

    2007-05-15

    The conference proceedings contain 15 contributions on energy plants: energy plant production in Germany - developments and research activities; potentials and constraints of cultivating energy crops; environmental aspects of production and utilization of energy plants; costs of energy crop supply; crops for the biogas production in the territory of Brandenburg; mixed cropping systems on sandy soils - alternative cropping strategies; impact of ensiling process on biogas production - recent research results; solid state anaerobic digestion of renewable biomass sources - state of research and development; energy crops as feedstock in a biogas plant; proffer and demand of wood fuel in the State of Brandenburg; regulatory framework of growing short rotation coppice; mechanization of SRC production; 20 years of short rotation coppice; willow production and marketing in Denmark; short rotation coppice production in Italy.

  8. Theoretical study of charge-remote fragmentation along the reaction coordinate of 1,4-hydrogen elimination in the gas-phase: Energy barrier and mechanism

    Science.gov (United States)

    Sugimura, Natsuhiko; Igarashi, Yoko; Aoyama, Reiko; Shibue, Toshimichi

    2018-01-01

    Density functional and Møller-Plesset perturbation approaches were applied to charge-remote fragmentation along the reaction coordinate of 1,4-hydrogen eliminations in the gas-phase. The mechanisms and energy barriers of the reactions are discussed. The calculations indicate that 1,4-hydrogen elimination via an aromatic-like six-atom transition state structure is energetically favorable with no involvement of the charge site. Cleavage of Csbnd C and Csbnd H bonds and the formation of Hsbnd H bonds occur simultaneously, and the energy barrier of this reaction is 4.01 eV. Energy decomposition analysis predicts a repulsive interaction between the formed H2 and the remaining substituents.

  9. Rotational temperature of N2+ (0,2 ions from spectrographic measurements used to infer the energy of precipitation in different auroral forms and compared with radar measurements

    Directory of Open Access Journals (Sweden)

    D. Lummerzheim

    2008-05-01

    Full Text Available High resolution spectral data are used to estimate neutral temperatures at auroral heights. The data are from the High Throughput Imaging Echelle Spectrograph (HiTIES which forms part of the Spectrographic Imaging Facility (SIF, located at Longyearbyen, Svalbard in Norway. The platform also contains photometers and a narrow angle auroral imager. Quantum molecular spectroscopy is used for modelling N2+ 1NG (0,2, which serves as a diagnostic tool for neutral temperature and emission height variations. The theoretical spectra are convolved with the instrument function and fitted to measured rotational transition lines as a function of temperature. Measurements were made in the magnetic zenith, and along a meridian slit centred on the magnetic zenith. In the results described, the high spectral resolution of the data (0.08 nm allows an error analysis to be performed more thoroughly than previous findings, with particular attention paid to the correct subtraction of background, and to precise wavelength calibration. Supporting measurements were made with the Svalbard Eiscat Radar (ESR. Estimates were made from both optical and radar observations of the average energy of precipitating electrons in different types of aurora. These provide confirmation that the spectral results are in agreement with the variations observed in radar profiles. In rayed aurora the neutral temperature was highest (800 K and the energy lowest (1 keV. In a bright curling arc, the temperature at the lower border was about 550 K, corresponding to energies of 2 keV. The radar and modelling results confirm that these average values are a lower limit for an estimation of the characteristic energy. In each event the energy distribution is clearly made up of more than one spectral shape. This work emphasises the need for high time resolution as well as high spectral resolution. The present work is the first to provide rotational temperatures using a method which pays particular

  10. Rotating Wavepackets

    Science.gov (United States)

    Lekner, John

    2008-01-01

    Any free-particle wavepacket solution of Schrodinger's equation can be converted by differentiations to wavepackets rotating about the original direction of motion. The angular momentum component along the motion associated with this rotation is an integral multiple of [h-bar]. It is an "intrinsic" angular momentum: independent of origin and…

  11. Biomass production and nutrient cycling in Eucalyptus short rotation energy forests in New Zealand: II. Litter fall and nutrient return

    Energy Technology Data Exchange (ETDEWEB)

    Guo, L.B.; Sims, R.E.H. [Institute of Technology and Engineering, Massey University, Private Bag 11222, Palmerston North (New Zealand); Horne, D.J. [Institute of Natural Resources, Massey University, Private Bag 11222, Palmerston North (New Zealand)

    2006-05-15

    Litter fall and nutrient return via the litter fall were measured during the first 3-yr rotation of three Eucalyptus short rotation forest species (E. botryoides, E. globulus and E. ovata) irrigated with meatworks effluent compared with no irrigation. Up to 13.4 oven-dry t/ha/yr of annual litter fall was recorded with nutrient returns of up to 159kgN/ha/yr, 9kgP/ha/yr, 28kgK/ha/yr, 125kgCa/ha/yr, 22kgMg/ha/yr, and 32kgMn/ha/yr. Effluent irrigation increased the litter fall and the return of some nutrients. More litter fall with higher nutrient return was found under E. globulus than under the other two species. However, the amounts of litter fall and nutrient return were highly dependent on the degree of biomass production and nutrient uptake. During the 3-yr period, up to 20% of the total above ground biomass produced was in the form of litter, and via the litter fall, up to 24% of the total N uptake was returned to the soil surface. (author)

  12. Rotational elasticity

    Science.gov (United States)

    Vassiliev, Dmitri

    2017-04-01

    We consider an infinite three-dimensional elastic continuum whose material points experience no displacements, only rotations. This framework is a special case of the Cosserat theory of elasticity. Rotations of material points are described mathematically by attaching to each geometric point an orthonormal basis that gives a field of orthonormal bases called the coframe. As the dynamical variables (unknowns) of our theory, we choose the coframe and a density. We write down the general dynamic variational functional for our rotational theory of elasticity, assuming our material to be physically linear but the kinematic model geometrically nonlinear. Allowing geometric nonlinearity is natural when dealing with rotations because rotations in dimension three are inherently nonlinear (rotations about different axes do not commute) and because there is no reason to exclude from our study large rotations such as full turns. The main result of the talk is an explicit construction of a class of time-dependent solutions that we call plane wave solutions; these are travelling waves of rotations. The existence of such explicit closed-form solutions is a non-trivial fact given that our system of Euler-Lagrange equations is highly nonlinear. We also consider a special case of our rotational theory of elasticity which in the stationary setting (harmonic time dependence and arbitrary dependence on spatial coordinates) turns out to be equivalent to a pair of massless Dirac equations. The talk is based on the paper [1]. [1] C.G.Boehmer, R.J.Downes and D.Vassiliev, Rotational elasticity, Quarterly Journal of Mechanics and Applied Mathematics, 2011, vol. 64, p. 415-439. The paper is a heavily revised version of preprint https://arxiv.org/abs/1008.3833

  13. Amelioration of drought-induced negative responses by elevated CO2 in field grown short rotation coppice mulberry (Morus spp.), a potential bio-energy tree crop.

    Science.gov (United States)

    Sekhar, Kalva Madhana; Reddy, Kanubothula Sitarami; Reddy, Attipalli Ramachandra

    2017-05-01

    Present study describes the responses of short rotation coppice (SRC) mulberry, a potential bio-energy tree, grown under interactive environment of elevated CO2 (E) and water stress (WS). Growth in E stimulated photosynthetic performance in well-watered (WW) as well as during WS with significant increases in light-saturated photosynthetic rates (A Sat), water use efficiency (WUEi), intercellular [CO2], and photosystem-II efficiency (F V/F M and ∆F/F M') with concomitant reduction in stomatal conductance (g s) and transpiration (E) compared to ambient CO2 (A) grown plants. Reduced levels of proline, H2O2, and malondialdehyde (MDA) and higher contents of antioxidants including ascorbic acid and total phenolics in WW and WS in E plants clearly demonstrated lesser oxidative damage. Further, A plants showed higher transcript abundance and antioxidant enzyme activities under WW as well as during initial stages of WS (15 days). However, with increasing drought imposition (30 days), A plants showed down regulation of antioxidant systems compared to their respective E plants. These results clearly demonstrated that future increased atmospheric CO2 enhances the photosynthetic potential and also mitigate the drought-induced oxidative stress in SRC mulberry. In conclusion, mulberry is a potential bio-energy tree crop which is best suitable for short rotation coppice forestry-based mitigation of increased [CO2] levels even under intermittent drought conditions, projected to prevail in the fast-changing global climate.

  14. Gravitational settling effects on unit cell predictions of colloidal retention in porous media in the absence of energy barriers.

    Science.gov (United States)

    Ma, Huilian; Pazmino, Eddy F; Johnson, William P

    2011-10-01

    Laboratory column experiments for colloidal transport and retention are often carried out with flow direction oriented against gravity (up-flow) to minimize retention of trapped air. However, the models that underlie colloidal filtration theory (e.g., unit cell models such as the Happel sphere-in-cell and hemispheres-in-cell) typically set flow in the same direction as gravity (down-flow). We performed unit model simulations and experimental observations of retention of colloids with different size and density in porous media in the absence of energy barriers under both up-flow and down-flow conditions. Unit cell models predicted very different deposition (e.g., for large or dense colloids with gravity number N(G) > 0.01 at pore water velocity of 4 m/day) under down-flow versus up-flow conditions, which reflect underlying influences of gravity and flow on simulated colloid trajectories that resulted in very different distributions of attached colloids over the model surfaces. The Happel sphere-in-cell model showed greater sensitivity to flow orientation relative to gravity than the hemispheres-in-cell model. In contrast, experimental results were relatively insensitive to orientation of flow with respect to gravity, as a result of the variety of orientations of flow relative to gravity and to the porous media surface that exist in actual porous media. Notably, the down-flow simulations corresponded most closely to the experimental results (for near neutrally buoyant colloids); which justifies the common practice of comparing up-flow experiments to theoretical predictions developed for down-flow conditions.

  15. Computing the Free Energy Barriers for Less by Sampling with a Coarse Reference Potential while Retaining Accuracy of the Target Fine Model.

    Science.gov (United States)

    Plotnikov, Nikolay V

    2014-08-12

    Proposed in this contribution is a protocol for calculating fine-physics (e.g., ab initio QM/MM) free-energy surfaces at a high level of accuracy locally (e.g., only at reactants and at the transition state for computing the activation barrier) from targeted fine-physics sampling and extensive exploratory coarse-physics sampling. The full free-energy surface is still computed but at a lower level of accuracy from coarse-physics sampling. The method is analytically derived in terms of the umbrella sampling and the free-energy perturbation methods which are combined with the thermodynamic cycle and the targeted sampling strategy of the paradynamics approach. The algorithm starts by computing low-accuracy fine-physics free-energy surfaces from the coarse-physics sampling in order to identify the reaction path and to select regions for targeted sampling. Thus, the algorithm does not rely on the coarse-physics minimum free-energy reaction path. Next, segments of high-accuracy free-energy surface are computed locally at selected regions from the targeted fine-physics sampling and are positioned relative to the coarse-physics free-energy shifts. The positioning is done by averaging the free-energy perturbations computed with multistep linear response approximation method. This method is analytically shown to provide results of the thermodynamic integration and the free-energy interpolation methods, while being extremely simple in implementation. Incorporating the metadynamics sampling to the algorithm is also briefly outlined. The application is demonstrated by calculating the B3LYP//6-31G*/MM free-energy barrier for an enzymatic reaction using a semiempirical PM6/MM reference potential. These modifications allow computing the activation free energies at a significantly reduced computational cost but at the same level of accuracy compared to computing full potential of mean force.

  16. Spin rotation and depolarization of high-energy particles in crystals at Hadron Collider (LHC) and Future Circular Collider (FCC) energies and the possibility to measure the anomalous magnetic moments of short-lived particles

    CERN Document Server

    Baryshevsky, V G

    2015-01-01

    We study the phenomena of spin rotation and depolarization of high-energy particles in crystals in the range of high energies that will be available at Hadron Collider (LHC) and Future Circular Collider (FCC). It is shown that these phenomena can be used to measure the anomalous magnetic moments of short-lived particles in this range of energies. We also demonstrate that the phenomenon of particle spin depolarization in crystals provides a unique possibility of measuring the anomalous magnetic moment of negatively-charged particles (e.g., beauty baryons), for which the channeling effect is hampered due to far more rapid dechanneling as compared to that for positively-charged particles. Channeling of particles in either straight or bent crystals with polarized nuclei could be used for polarization and the analysis thereof of high-energy particles.

  17. Estimation of woody biomass production from a short-rotation bio-energy system in semi-arid Australia

    Energy Technology Data Exchange (ETDEWEB)

    Sochacki, S.J.; Harper, R.J. [Forest Products Commission, Locked Bag 888, Perth Business Centre, Perth, WA 6849 (Australia); Smettem, K.R.J. [School of Environmental Systems Engineering, The University of Western Australia, Nedlands, WA 6907 (Australia)

    2007-09-15

    Short, 3-5 year, rotations of trees have been proposed as a method of regaining hydrological control of dryland farming systems (300-600 mm annual rainfall) in southern Australia and thus alleviating salinization of land and water. At the termination of the rotation, the trees will be removed and used as a bioenergy feedstock. In the absence of any tree growth data in this region, allometric relationships were developed for three prospective short-rotation species (Eucalyptus globulus, Eucalyptus occidentalis and Pinus radiata), for 3-year-old trees, at a site with a mean annual rainfall of 365 mm. Equations that related stem diameter over bark at 10 cm (D{sub 10}) and tree height (ht) to total tree biomass (above and below ground), leaves, stems (stemwood and bark) and roots were developed, by combining data from different planting densities (500, 1000, 2000 and 4000 stem ha{sup -1}) and landscape positions (upper-slope, mid-slope and lower-slope). Mean oven-dry yields of the three species, in the high planting density treatment were not significantly different and ranged from 12 to 14 t ha{sup -1} (3 years){sup -1}. There were consistent increases in biomass yield with planting density, with this generally being greatest with the 4000 stem ha{sup -1} treatment. There were marked differences in productivity with slope position. For E. globulus and E. occidentalis the best yields were obtained in lower landscape positions with initial planting densities of 4000 stem ha{sup -1}, with 16.6 and 22.2 t ha{sup -1} (3 years){sup -1}, total biomass produced, respectively. The best yield of P. radiata was 15.4 t ha{sup -1} (3 years){sup -1} from an initial planting density of 4000 stem ha{sup -1} in an upper landscape position. These differences partly reflected site hydrology, with water accumulating in downslope positions. Partitioning of tree components was variable between species, with root:shoot (R:S) ratio being significantly (P<0.0001) higher for E. occidentalis (0

  18. Internal Rotation of Methylcyclopropane and Related Molecules: Comparison of Experiment and Theory.

    Science.gov (United States)

    Ocola, Esther J; Laane, Jaan

    2016-09-22

    The internal rotation about the single bond connecting a cyclopropyl ring to a CH3, SiH3, GeH3, NH2, SH, or OH group was investigated. Both CCSD/cc-pVTZ and MP2/cc-pVTZ ab initio calculations were performed to predict the structures of these molecules and their internal rotation potential energy functions in terms of angles of rotation. The barriers to internal rotation for the CH3, SiH3, and GeH3 molecules from the calculations agree well with the experimental ones, within -11% to +1% for CCSD/cc-pVTZ and -4% to +9% for MP2/cc-pVTZ. Comparisons between theory and experiment were also performed for propylene oxide and propylene sulfide, and the agreements were very good. Theoretical calculations were performed to compute the internal rotation potential energy function for cyclopropanol, and these were used to guide the determination of a potential function based on experimental data. This molecule has two equivalent synclinal (gauche) conformers with an estimated barrier of 759 cm(-1) (9.1 kJ/mol) between them. The minima are at internal rotation angles of the OH group of 109° and 251°. The theoretical potential functions for cyclopropanethiol and cyclopropylamine were also calculated, and these agree reasonably well with previous experimental studies.

  19. Rotating UPS installations and dynamic energy storage. Comparison of static and rotating UPS and comparison of dynamic energy storage using batteries - Final Report; Rotierende USV-Anlagen und dynamische Energiespeicherung. Vergleich der statischen mit rotierenden USV-Anlagen und Vergleich der dynamischen Energiespeicherung mit Batterieanlagen - Schlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Mauchle, P.; Schnyder, G.

    2010-01-15

    As an alternative to the static UPS-Systems (uninterruptible power supply systems), rotating UPS-Systems can be applied. The application and the realisation of rotating UPS-Systems are different to the one of static UPS-Systems. Furthermore at the rotating UPS-Systems is to distinguish, if the UPS-System is realised as a diesel dynamic UPS-System, with an activity up from 400 kVA, or if the dynamic part is limited to the energy storage, with an activity up from 60 kVA. The diesel dynamic UPS-Systems are composed of a synchronous machine, an asynchronous machine with a flywheel, respectively a kinetic module and the diesel engine. The connection to the critical user at the low voltage network occurs using an inductor and the accordant switchgears. The application of a diesel dynamic UPS-System is optimal when it can be connected with an emergency power supply. With the realisation of dynamic energy storages, battery systems can be avoided respectively can be reduced or the lifetime of batteries can be extended. It is only possible to avoid the batteries if the requested autonomous time of the UPS-System is shorter than two minutes. Is an autonomous time longer than 2 minutes necessary, battery systems have to be realised for the energy storage. Thereby dynamic energy storage in parallel to the battery system is useful, because the dynamic energy storage will compensate temporary voltage drops or short power failures. In this way the number of charge and discharge cycles of the battery system will be reduced and therefore the lifetime of the battery will be extended. The use of a dynamic or static UPS system is dependent on the requirements of the powered load. Taking into account various criteria it can be found for each specific application the optimal type of UPS system. (authors)

  20. {alpha}-particle production in the scattering of {sup 6}He by {sup 208}Pb at energies around the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Escrig, D. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Sanchez-Benitez, A.M. [Departamento de Fisica Aplicada, Universidad de Huelva, E-21071 Huelva (Spain); Institut de Physique Nucleaire and Centre de Recherches du Cyclotron, Universite catholique de Louvain, B-1348 Louvain-la-Neuve (Belgium); Moro, A.M. [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, Apdo. 1065, E-41080 Sevilla (Spain)]. E-mail: moro@us.es (and others)

    2007-08-01

    New experimental data from the scattering of {sup 6}He + {sup 208}Pb at energies around and below the Coulomb barrier are presented. The yield of breakup products coming from projectile fragmentation is dominated by a strong group of {alpha} particles. The energy and angular distribution of this group have been analyzed and compared with theoretical calculations. This analysis indicates that the {alpha} particles emitted at backward angles in this reaction are mainly due to two-neutron transfer to weakly bound states of the final nucleus.

  1. Climate protection and energy crops. Potential for greenhouse gas emission reduction through crop rotation and crop planning; Klimaschutz und Energiepflanzenanbau. Potenziale zur Treibhausgasemissionsminderung durch Fruchtfolge- und Anbauplanung

    Energy Technology Data Exchange (ETDEWEB)

    Eckner, Jens [Thueringer Landesanstalt fuer Landwirtschaft (Germany); Peter, Christiane; Vetter, Armin

    2015-07-01

    The EVA project compares nationwide energy crops and crop rotations on site-specific productivity. In addition to agronomic suitability for cultivation economic and environmental benefits and consequences are analyzed and evaluated. As part of sustainability assessment of the tested cultivation options LCAs are established. The model MiLA developed in the project uses empirical test data and site parameters to prepare the inventory balances. At selected locations different cultivation and fertilization regimes are examined comparatively. In the comparison of individual crops and crop rotation combinations cultivation of W.Triticale-GPS at the cereals favor location Dornburg causes the lowest productrelated GHG-emissions. Due to the efficient implementation of nitrogen and the substrate properties of maize is the cultivation despite high area-related emissions and N-expenses at a low level of emissions. Because of the intensity the two culture systems offer lower emissions savings potentials with high area efficiency. Extensification with perennial alfalfagrass at low nitrogen effort and adequate yield performance show low product-related emissions. Closing the nutrient cycles through a recirculation of digestates instead of using mineral fertilization has a climate-friendly effect. Adapted intensifies of processing or reduced tillage decrease diesel consumption and their related emissions.

  2. Allometric equations commonly used for estimating shoot biomass in short-rotation wood energy species: a review

    Directory of Open Access Journals (Sweden)

    Julio Cesar Ríos-Saucedo

    2016-01-01

    Full Text Available Los cultivos dendroenergéticos de corta rotación en monte bajo (Short Rotation Coppice -SRC comúnmente están formados por individuos unifustales en el primer ciclo de corta, pero a partir del segundo ciclo, de cada cepa surgen numerosos vástagos o brotes, los cuales presentan desafíos interesantes al momento de estimar su biomasa. El objetivo de este trabajo fue identificar especies, longitud de rotación y tipos de modelos alométricos usados para estimar biomasa en SRC, en revistas científicas de las bases de datos Scopus y Web of Science. Entre los modelos para estimar la biomasa (y de uso más frecuente destaca el exponencial, que tiene como variable predictora el diámetro normal ( D ( y = b 0 D b 1 , diámetro basal de tallo ( Db ( y = b 0 Db b 1 y la combinación de diámetro normal al cuadrado por la altura total ( D 2 H ( y = b 0 + b 1 D 2 H . Los géneros con mayor número de modelos diferentes fueron Populus, Salix y Eucalyptus . Los dos primeros son los más estudiados. La longitud de rotación empleada en los cultivos estudiados varió de uno a 15 años.

  3. Orbital rotation without orbital angular momentum: mechanical action of the spin part of the internal energy flow in light beams

    DEFF Research Database (Denmark)

    Angelsky, O. V.; Bekshaev, A. Ya; Maksimyak, P. P.

    2012-01-01

    The internal energy flow in a light beam can be divided into the "orbital" and "spin" parts, associated with the spatial and polarization degrees of freedom of light. In contrast to the orbital one, experimental observation of the spin flow seems problematic because it is converted into an orbital...... flow upon tight focusing of the beam, usually applied for energy flow detection by means of the mechanical action upon probe particles. We propose a two-beam interference technique that results in an appreciable level of spin flow in moderately focused beams and detection of the orbital motion of probe...... particles within a field where the transverse energy circulation is associated exclusively with the spin flow. This result can be treated as the first demonstration of mechanical action of the spin flow of a light field....

  4. Barriers and opportunities for improving energy efficiency in the social housing sector: Case study of E4C's Division of Housing and Mental Health

    Science.gov (United States)

    Marchand-Smith, Patrick

    Energy efficiency improvements in the social housing sector have the potential to produce a range of environmental and social benefits. These improvements can be produced through retrofits that deliver energy savings or new construction built to a high standard of energetic efficiency. However, implementation of these approaches is hindered by economic and organizational constraints affecting the agencies that provide society with social housing and the governments that support the provision of these services. This thesis builds on the work of other researchers studying these constraints by supplying an in-depth case study from Alberta and a discussion based on its findings. The case study focuses on E4C, a social service agency with several housing projects. Overall, findings matched important themes identified in the academic literature. The in-depth nature of the case study added additional insight to many of these themes. Most barriers are economic in nature and related to a lack of sufficient funding or the up-front costs of energy-saving retrofits. The recommendations presented are based on consideration of the multiple barriers and opportunities faced. Most of these require a considerable investment of time on the part of agencies and would be followed up by capital investments to implement energy-saving changes. Therefore it is important to note that the most significant barrier is commitment, which is one of E4C's central values. This thesis showed that commitment cannot exceed capacity to act. Greater commitment on the part of governments, agencies or society at large could have significant impacts in improving the energy efficiency of buildings in the Albertan, and Canadian, social housing sector.

  5. Determining the masses and radii of rapidly rotating, oblate neutron stars using energy-resolved waveforms of their X-ray burst oscillations

    Science.gov (United States)

    Lamb, Frederick K.; Miller, M. Coleman

    2014-08-01

    We have developed new, more sophisticated, and much faster Bayesian analysis methods that enable us to estimate the masses and radii of rapidly rotating, oblate neutron stars using the energy-resolved waveforms of their X-ray burst oscillations and to determine the uncertainties in these mass and radius estimates. We first generate the energy-resolved burst oscillation waveforms that would be produced by a hot spot on various rapidly rotating, oblate stars, using the oblate-star Schwarzschild-spacetime (OS) approximation. In generating these synthetic data, we assume that 1 million counts have been collected from the hot spot and that the background is 9 million counts. This produces a realistic modulation amplitude and a total number of counts comparable to the number that could be obtained by a future space mission such as the proposed LOFT or AXTAR missions or the accepted NICER mission by combining data from many bursts from a given star. We then compute the joint posterior distribution of the mass M and radius R in standard models, for each synthetic waveform, and use these posterior distributions to determine the 1-, 2-, and 3-sigma confidence regions in the M-R plane for each synthetic waveform and model. We report here the confidence regions obtained when Schwarzschild+Doppler (S+D) and OS waveform models are used, including results obtained when the properties of the star used to generate the synthetic waveform data differ from the properties of the star used in modeling the waveform. These results are based on research supported by NSF grant AST0709015 at the University of Illinois and NSF grant AST0708424 at the University of Maryland.

  6. Improved methods for Feynman path integral calculations of vibrational-rotational free energies and application to isotopic fractionation of hydrated chloride ions.

    Science.gov (United States)

    Mielke, Steven L; Truhlar, Donald G

    2009-04-23

    We present two enhancements to our methods for calculating vibrational-rotational free energies by Feynman path integrals, namely, a sequential sectioning scheme for efficiently generating random free-particle paths and a stratified sampling scheme that uses the energy of the path centroids. These improved methods are used with three interaction potentials to calculate equilibrium constants for the fractionation behavior of Cl(-) hydration in the presence of a gas-phase mixture of H(2)O, D(2)O, and HDO. Ion cyclotron resonance experiments indicate that the equilibrium constant, K(eq), for the reaction Cl(H(2)O)(-) + D(2)O right harpoon over left harpoon Cl(D(2)O)(-) + H(2)O is 0.76, whereas the three theoretical predictions are 0.946, 0.979, and 1.20. Similarly, the experimental K(eq) for the Cl(H(2)O)(-) + HDO right harpoon over left harpoon Cl(HDO)(-) + H(2)O reaction is 0.64 as compared to theoretical values of 0.972, 0.998, and 1.10. Although Cl(H(2)O)(-) has a large degree of anharmonicity, K(eq) values calculated with the harmonic oscillator rigid rotator (HORR) approximation agree with the accurate treatment to within better than 2% in all cases. Results of a variety of electronic structure calculations, including coupled cluster and multireference configuration interaction calculations, with either the HORR approximation or with anharmonicity estimated via second-order vibrational perturbation theory, all agree well with the equilibrium constants obtained from the analytical surfaces.

  7. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational-rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane.

    Science.gov (United States)

    Mielke, Steven L; Truhlar, Donald G

    2015-01-28

    We present an improved version of our "path-by-path" enhanced same path extrapolation scheme for Feynman path integral (FPI) calculations that permits rapid convergence with discretization errors ranging from O(P(-6)) to O(P(-12)), where P is the number of path discretization points. We also present two extensions of our importance sampling and stratified sampling schemes for calculating vibrational-rotational partition functions by the FPI method. The first is the use of importance functions for dihedral angles between sets of generalized Jacobi coordinate vectors. The second is an extension of our stratification scheme to allow some strata to be defined based only on coordinate information while other strata are defined based on both the geometry and the energy of the centroid of the Feynman path. These enhanced methods are applied to calculate converged partition functions by FPI methods, and these results are compared to ones obtained earlier by vibrational configuration interaction (VCI) calculations, both calculations being for the Jordan-Gilbert potential energy surface. The earlier VCI calculations are found to agree well (within ∼1.5%) with the new benchmarks. The FPI partition functions presented here are estimated to be converged to within a 2σ statistical uncertainty of between 0.04% and 0.07% for the given potential energy surface for temperatures in the range 300-3000 K and are the most accurately converged partition functions for a given potential energy surface for any molecule with five or more atoms. We also tabulate free energies, enthalpies, entropies, and heat capacities.

  8. Polarization Energies at Organic–Organic Interfaces: Impact on the Charge Separation Barrier at Donor–Acceptor Interfaces in Organic Solar Cells

    KAUST Repository

    Ryno, Sean

    2016-05-31

    We probe the energetic landscape at a model pentacene/fullerene-C60 interface to investigate the interactions between positive and negative charges, which are critical to the processes of charge separation and recombination in organic solar cells. Using a polarizable force field, we find that polarization energy, i.e. the stabilization a charge feels due to its environment, is larger at the interface than in the bulk for both a positive and a negative charge. The combination of the charge being more stabilized at the interface and the Coulomb attraction between the charges, results in a barrier to charge separation at the pentacene-C60 interface that can be in excess of 0.7 eV for static configurations of the donor and acceptor locations. However, the impact of molecular motions, i.e., the dynamics, at the interface at room temperature results in a distribution of polarization energies and in charge separation barriers that can be significantly reduced. The dynamic nature of the interface is thus critical, with the polarization energy distributions indicating that sites along the interface shift in time between favorable and unfavorable configurations for charge separation.

  9. A new method based on Adaptive Discrete Wavelet Entropy Energy and Neural Network Classifier (ADWEENN) for recognition of urine cells from microscopic images independent of rotation and scaling.

    Science.gov (United States)

    Avci, Derya; Leblebicioglu, Mehmet Kemal; Poyraz, Mustafa; Dogantekin, Esin

    2014-02-01

    So far, analysis and classification of urine cells number has become an important topic for medical diagnosis of some diseases. Therefore, in this study, we suggest a new technique based on Adaptive Discrete Wavelet Entropy Energy and Neural Network Classifier (ADWEENN) for Recognition of Urine Cells from Microscopic Images Independent of Rotation and Scaling. Some digital image processing methods such as noise reduction, contrast enhancement, segmentation, and morphological process are used for feature extraction stage of this ADWEENN in this study. Nowadays, the image processing and pattern recognition topics have come into prominence. The image processing concludes operation and design of systems that recognize patterns in data sets. In the past years, very difficulty in classification of microscopic images was the deficiency of enough methods to characterize. Lately, it is seen that, multi-resolution image analysis methods such as Gabor filters, discrete wavelet decompositions are superior to other classic methods for analysis of these microscopic images. In this study, the structure of the ADWEENN method composes of four stages. These are preprocessing stage, feature extraction stage, classification stage and testing stage. The Discrete Wavelet Transform (DWT) and adaptive wavelet entropy and energy is used for adaptive feature extraction in feature extraction stage to strengthen the premium features of the Artificial Neural Network (ANN) classifier in this study. Efficiency of the developed ADWEENN method was tested showing that an avarage of 97.58% recognition succes was obtained.

  10. Stochastic resonance energy harvesting for a rotating shaft subject to random and periodic vibrations: influence of potential function asymmetry and frequency sweep

    Science.gov (United States)

    Kim, Hongjip; Che Tai, Wei; Zhou, Shengxi; Zuo, Lei

    2017-11-01

    Stochastic resonance is referred to as a physical phenomenon that is manifest in nonlinear systems whereby a weak periodic signal can be significantly amplified with the aid of inherent noise or vice versa. In this paper, stochastic resonance is considered to harvest energy from two typical vibrations in rotating shafts: random whirl vibration and periodic stick-slip vibration. Stick-slip vibrations impose a constant offset in centrifugal force and distort the potential function of the harvester, leading to potential function asymmetry. A numerical analysis based on a finite element method was conducted to investigate stochastic resonance with potential function asymmetry. Simulation results revealed that a harvester with symmetric potential function generates seven times higher power than that with asymmetric potential function. Furthermore, a frequency-sweep analysis also showed that stochastic resonance has hysteretic behavior, resulting in frequency difference between up-sweep and down-sweep excitations. An electromagnetic energy harvesting system was constructed to experimentally verify the numerical analysis. In contrast to traditional stochastic resonance harvesters, the proposed harvester uses magnetic force to compensate the offset in the centrifugal force. System identification was performed to obtain the parameters needed in the numerical analysis. With the identified parameters, the numerical simulations showed good agreement with the experiment results with around 10% error, which verified the effect of potential function asymmetry and frequency sweep excitation condition on stochastic resonance. Finally, attributed to compensating the centrifugal force offset, the proposed harvester generated nearly three times more open-circuit output voltage than its traditional counterpart.

  11. Thermal activated rotation of graphene flake on graphene

    Science.gov (United States)

    Peymanirad, F.; Singh, Sandeep Kumar; Ghorbanfekr-Kalashami, H.; Novoselov, K. S.; Peeters, F. M.; Neek-Amal, M.

    2017-06-01

    The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about  ∼4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA- or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than {{2}\\circ} . Our results are in agreement with recent experiments.

  12. The Eighth Amendment to the Law Against Barriers to Competition and its significance for the energy and utility industry; Die 8. GWB-Novelle und ihre Bedeutung fuer die Energie- und Versorgungswirtschaft

    Energy Technology Data Exchange (ETDEWEB)

    Gussone, Peter [Becker Buettner Held, Berlin (Germany)

    2012-11-14

    This article provides an overview of the changes brought about by the Eighth Amendment to the Law Against Barriers to Competition (GWB), which is to take effect on 1 January 2013. Special emphasis is placed on changes with an impact on the energy and utility industry. This refers in particular to the extended term of validity of paragraph 29 GWB and the widening of abuse control in the drinking water supply sector and its integration into the GWB. Following a brief overview of the changes introduced by the amendment in its entirety the main part of the article takes a closer look at those relevant to the energy and utility industry.

  13. Characterization of biopartitioning micellar chromatography system using monolithic column by linear solvation energy relationship and application to predict blood-brain barrier penetration.

    Science.gov (United States)

    Lu, Rong; Sun, Jin; Wang, Yongjun; Li, Haiyan; Liu, Jianfang; Fang, Liang; He, Zhonggui

    2009-07-03

    The linear solvation energy relationship (LSER) was applied to characterize biopartitioning micellar chromatography (BMC) system using monolithic column, and was utilized to compare the above system with other physicochemical and biological processes in this study. The solute volume and HB basicity had the maximum influence on the retention of the solutes, and an increase in the dipolarity/polarizability, HB basicity, HB acidity or excess molar refraction of the solutes decreased the retention. Principal component analysis of LSER coefficients showed that the system had certain similarity to drug biomembrane transport processes, such as blood-brain barrier penetration, transdermal and oral absorption. The quantitative retention-activity relationship (QRAR) of drug penetration across blood-brain barrier was established and its predictive capability for this biological process was evaluated. With the aid of the high flow rate, the monolithic column significantly facilitated the high-throughput analysis of large compounds' bank without changing the mechanism of the retention in BMC and without impairing good predictive capability of the biological processes. Accordingly, the BMC system, together with monolithic column, allows for high-throughput profiling the biological processes, such as blood-brain barrier penetration.

  14. The Oklahoma Field Test: Air-conditioning electricity savings from standard energy conservation measures, radiant barriers, and high-efficiency window air conditioners

    Energy Technology Data Exchange (ETDEWEB)

    Ternes, M.P.; Levins, W.P.

    1992-08-01

    A field test Involving 104 houses was performed in Tulsa, Oklahoma, to measure the air-conditioning electricity consumption of low-income houses equipped with window air conditioners, the reduction in this electricity consumption attributed to the installation of energy conservation measures (ECMS) as typically installed under the Oklahoma Weatherization Assistance Program (WAP), and the reduction achieved by the replacement of low-efficiency window air conditioners with high-efficiency units and the installation of attic radiant barriers. Air-conditioning electricity consumption and indoor temperature were monitored weekly during the pre-weatherization period (June to September 1988) and post-weatherization period (May to September 1989). House energy consumption models and regression analyses were used to normalize the air-conditioning electricity savings to average outdoor temperature conditions and the pre-weatherization indoor temperature of each house. The following conclusions were drawn from the study: (1) programs directed at reducing air-conditioning electricity consumption should be targeted at clients with high consumption to improve cost effectiveness; (2) replacing low-efficiency air conditioners with high-efficiency units should be considered an option in a weatherization program directed at reducing air-conditioning electricity consumption; (3) ECMs currently being installed under the Oklahoma WAP (chosen based on effectiveness at reducing space-heating energy consumption) should continue to be justified based on their space-heating energy savings potential only; and (4) attic radiant barriers should not be included in the Oklahoma WAP if alternatives with verified savings are available or until further testing demonstrates energy savings or other benefits in this typo of housing.

  15. A Free Energy Barrier Caused by the Refolding of an Oligomeric Intermediate Controls the Lag Time of Amyloid Formation by hIAPP.

    Science.gov (United States)

    Serrano, Arnaldo L; Lomont, Justin P; Tu, Ling-Hsien; Raleigh, Daniel P; Zanni, Martin T

    2017-11-22

    Transiently populated oligomers formed en route to amyloid fibrils may constitute the most toxic aggregates associated with many amyloid-associated diseases. Most nucleation theories used to describe amyloid aggregation predict low oligomer concentrations and do not take into account free energy costs that may be associated with structural rearrangements between the oligomer and fiber states. We have used isotope labeling and two-dimensional infrared spectroscopy to spectrally resolve an oligomeric intermediate during the aggregation of the human islet amyloid protein (hIAPP or amylin), the protein associated with type II diabetes. A structural rearrangement includes the F 23 G 24 A 25 I 26 L 27 region of hIAPP, which starts from a random coil structure, evolves into ordered β-sheet oligomers containing at least 5 strands, and then partially disorders in the fibril structure. The supercritical concentration is measured to be between 150 and 250 μM, which is the thermodynamic parameter that sets the free energy of the oligomers. A 3-state kinetic model fits the experimental data, but only if it includes a concentration independent free energy barrier >3 kcal/mol that represents the free energy cost of refolding the oligomeric intermediate into the structure of the amyloid fibril; i.e., "oligomer activation" is required. The barrier creates a transition state in the free energy landscape that slows fibril formation and creates a stable population of oligomers during the lag phase, even at concentrations below the supercritical concentration. Largely missing in current kinetic models is a link between structure and kinetics. Our experiments and modeling provide evidence that protein structural rearrangements during aggregation impact the populations and kinetics of toxic oligomeric species.

  16. Productivity, biomass partitioning, and energy yield of low-input short-rotation American sycamore (Platanus occidentalis L.) grown on marginal land: Effects of planting density and simulated drought

    Science.gov (United States)

    Jean-Christophe Domec; Elissa Ashley; Milan Fischer; Asko Noormets; Jameson Boone; James C. Williamson; John S. King

    2017-01-01

    Short-rotation woody crops (SRWC) grown for bioenergy production are considered a more sustainable feedstock than food crops such as corn and soybean. However, to be sustainable SRWC should be deployed on land not suitable for agriculture (e.g., marginal lands). Here we quantified productivity and energy yield of four SRWC candidate species grown at different planting...

  17. Building barriers.

    Science.gov (United States)

    Turksen, Kursad

    2017-10-02

    Formation of tissue barriers starts in early development where it is critical for normal cell fate selection, differentiation and organogenesis. Barrier maintenance is critical to the ongoing function of organs during adulthood and aging. Dysfunctional tissue barrier formation and function at any stage of the organismal life cycle underlies many disease states.

  18. Kinetic-contact-driven gigantic energy transfer in a two-dimensional Lennard-Jones fluid confined to a rotating pore

    Science.gov (United States)

    Karbowniczek, Paweł; Chrzanowska, Agnieszka

    2017-11-01

    A two-dimensional Lennard-Jones system in a circular and rotating container has been studied by means of molecular dynamics technique. A nonequilibrium transition to the rotating stage has been detected in a delayed time since an instant switching of the frame rotation. This transition is attributed to the increase of the density at the wall because of the centrifugal force. At the same time the phase transition occurs, the inner system changes its configuration of the solid-state type into the liquid type. Impact of angular frequency and molecular roughness on the transport properties of the nonrotating and rotating systems is analyzed.

  19. Molecular Viscosity Sensors with Two Rotators for Optimizing the Fluorescence Intensity-Contrast Trade-Off.

    Science.gov (United States)

    Lee, Seung-Chul; Lee, Chang-Lyoul; Heo, Jeongyun; Jeong, Chan-Uk; Lee, Gyeong-Hui; Kim, Sehoon; Yoon, Woojin; Yun, Hoseop; Park, Sung O; Kwak, Sang Kyu; Park, Sung-Ha; Kwon, O-Pil

    2018-02-26

    A series of fluorescent molecular rotors obtained by introducing two rotational groups ("rotators"), which exhibit different rotational and electron-donating abilities, are discussed. Whereas the control molecular rotor, PH, includes a single rotator (the widely used phenyl group), the PO molecular rotors consist of two rotators (a phenyl group and an alkoxy group), which exhibit simultaneous strongly electron-donating and easy rotational abilities. Compared with the control rotor PH, PO molecular rotors exhibited one order of magnitude higher quantum yield (fluorescence intensity) and simultaneously exhibited significantly higher fluorescence contrast. These properties are directly related to the strong electron-donating ability and low energy barrier of rotation of the alkoxy group, as confirmed by dynamic fluorescence experiments and quantum chemical calculations. The PO molecular rotors exhibited two fluorescence relaxation pathways, whereas the PH molecular rotor exhibited a single fluorescence relaxation pathway. Cellular fluorescence imaging with PO molecular rotors for mapping cellular viscosity was successfully demonstrated. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Adiabatic heavy-ion fusion potentials for fusion at deep sub-barrier ...

    Indian Academy of Sciences (India)

    barrier energies has been examined. The adiabatic limit of fusion barriers has been determined from experimental data using the barrier penetration model. These adiabatic barriers are consistent with the adiabatic fusion barriers derived from ...

  1. Rotator Cuff Exercises

    Science.gov (United States)

    ... Home Prevention and Wellness Exercise and Fitness Injury Rehabilitation Rotator Cuff Exercises Rotator Cuff Exercises Share Print Rotator Cuff ... Best Rotator Cuff ExercisesNational Institutes of Health: MedlinePlus, ... and WellnessTags: Exercise Prescription, prevention, Shoulder Problems, ...

  2. Advances in Rotational Seismic Measurements

    Energy Technology Data Exchange (ETDEWEB)

    Pierson, Robert [Applied Technology Associates, Albuquerque, NM (United States); Laughlin, Darren [Applied Technology Associates, Albuquerque, NM (United States); Brune, Robert [Applied Technology Associates, Albuquerque, NM (United States)

    2016-10-19

    Rotational motion is increasingly understood to be a significant part of seismic wave motion. Rotations can be important in earthquake strong motion and in Induced Seismicity Monitoring. Rotational seismic data can also enable shear selectivity and improve wavefield sampling for vertical geophones in 3D surveys, among other applications. However, sensor technology has been a limiting factor to date. The US Department of Energy (DOE) and Applied Technology Associates (ATA) are funding a multi-year project that is now entering Phase 2 to develop and deploy a new generation of rotational sensors for validation of rotational seismic applications. Initial focus is on induced seismicity monitoring, particularly for Enhanced Geothermal Systems (EGS) with fracturing. The sensors employ Magnetohydrodynamic (MHD) principles with broadband response, improved noise floors, robustness, and repeatability. This paper presents a summary of Phase 1 results and Phase 2 status.

  3. Reaction cross sections and elastic scattering energy dependence around the Coulomb barrier for the {sup 7}Be+{sup 27}Al system

    Energy Technology Data Exchange (ETDEWEB)

    Morcelle, Viviane; Gomes, P.R.S.; Lubian, J.; Mendes Junior, D.R. [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil); Lichtenthaeler, R.; Guimaraes, V.; Lepine-Szily, A.; Camargo, O.; Faria, P.N. de; Gasquez, L.; Morais, M.C.; Condori, R.P.; Pires, K.C.C.; Scarduelli, V. [Universidade de Sao Paulo (USP), SP (Brazil); Barioni, A. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil); Shorto, J.M.B. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Zamora, J.C. [Technische Universitaet Darmstadt (Germany); Aguilera, E.; Martinez-Quiroz, E. [Instituto Nacional de Investigaciones Nucleares (Mexico); Kolata, J.; Jiang, H. [University of Notre Dame, IN (United States); Bechetti, F.D.; Lamm, L.O. [Michigan University, MI (United States); Lizcano, D. [Universidad Autonoma del Estado de Mexico (Mexico)

    2012-07-01

    Full text: Elastic scattering measurements were performed at energies around the Coulomb barrier at the Tandem Accelerators of the Sao Paulo (USP - Brazil ) and Notre Dame (UND - USA) Universities. The {sup 7}Be is a radioactive nucleus and has been produced by the reaction {sup 6}He({sup 6}Li,{sup 9}Be) and impinged on {sup 27}Al and {sup 197}Au secondary targets using a double superconducting systems RIBRAS ( USP ) and Twinsol (UND). The elastic scattering angular distributions were analyzed through the optical model calculations, using the Woods- Saxon form factors [1] and the Sao Paulo potential [2] to fit the experimental data. The total reaction cross sections were also derived and compared with others presented at the literature for other systems. In addition, a study of the nuclear potential energy dependence has been carried out in this work in the dispersion relation context. Due to the fact that {sup 7}Be has a small breakup threshold energy, the results can provide significant information of the influence of the breakup channel on the reactions involving this projectile. For this purpose, {chi}{sup 2}- data analysis with different kind of potentials were performed to identify the energy dependence of the real (V) and imaginary (W) parts of the potential. [1] L.C. Chamon et al., Phys. Rev. C 66, (2002) 014610. [2] R.D. Wood e D.S. Saxon, Phys. Rev. 95 ( 1954) 577. (author)

  4. Are there barriers to competition on the market for energy services?; Finns det konkurrenshinder paa marknaden foer energitjaenster?

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-07-01

    Under orders from the Government, offices of Swedish Energy Authority conduct an in-depth analysis of the competitive conditions in various segments of the energy services market. In particular, the competitive relationship between energy suppliers and on the other hand, other companies providing energy services. Also the relationship between municipal-owned companies and other companies providing energy services should be analyzed. The institutional framework is already known, as well as much of the activity in the market. However, there still seems to be perspective on actors' own perceptions of market conditions that should be clarified. For this reason, the starting point for this investigation was the companies' own statements and comments, which were obtained partly through a questionnaire and interviews. A basic assumption has been that the opinions and beliefs also guide companies actions. This means that the actors' own voices form a kind of recurring theme in the study and contributes to a deeper understanding of the actors' motivations. It should be noted that Energy Agency does not necessarily share the views that emerge in this context.

  5. Energy-Effective Rotation Equipment

    Directory of Open Access Journals (Sweden)

    V. Kascheev

    2013-01-01

    Full Text Available The article presents invention, which allows to create compact and cheap fog-forming devices for industrial hothouses (plants, greenhouses, storehouses, testing polygons and other Objects. Besides, this invention gives the possibilities to modernize the traversers of gas-water fire-fighting type AGVS-100 or AGVS-150, using turbojet engines. Utilization of fog-forming machines among fire-fighting devices will increase the effectiveness in fire-fighting of forest and industrial Objects and oil fields.

  6. Rotational and translational effects in collisions of electronically excited diatomic hydrides

    Science.gov (United States)

    Crosley, David R.

    1988-01-01

    Collisional quenching and vibrational energy proceed competitively with rotational energy transfer for several excited states of the diatomic radicals OH, NH, and CH. This occurs for a wide variety of molecular collision partners. This phenomenon permits the examination of the influence of rotational motion on the collision dynamics of these theoretically tractable species. Measurements can also be made as a function of temperature, i.e., collision velocity. In OH (sup 2 sigma +), both vibrational transfer and quenching are found to decrease with an increase in rotational level, while quenching decreases with increasing temperature. This behavior indicates that for OH, anisotropic attractive forces govern the entrance channel dynamics for these collisions. The quenching of NH (sup 3 pi sub i) by many (although not all) collision partners also decreases with increasing rotational and translational energy, and NH (sup 1 pi) behaves much like OH (sup 2 sigma +). However, the quenching of CH (sup 2 delta) appears to decrease with increasing rotation but increases with increasing temperature, suggesting in this case anisotropic forces involving a barrier or repulsive wall. Such similarities and differences should furnish useful comparisons with both simple and detailed theoretical pictures of the appropriate collision dynamics.

  7. Canonical elements of rotational motion

    Science.gov (United States)

    Fukushima, T.

    2009-09-01

    We present a new set of canonical variables to describe general rotation of a triaxial rigid body. Explicit are both the forward and backward transformations from the new variables to the Andoyer canonical variables, which are universal. The rotational kinetic energy is expressed as a quadratic monomial of one new momentum. Consequently, the torque-free rotations are expressed as a linear function of time for the conjugate coordinate and constants of time for the rest two coordinates and three momenta. This means that the new canonical variables are universal elements in a broad sense.

  8. Surface absorption in the {sup 32}S+{sup 24}Mg interactions at energies near the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Pacheco, J.C.; Sanchez, F.; Diaz, J.; Ferrero, J.L. [Valencia Univ. (Spain); Bilwes, B. [Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires; Ruiz, J.A. [Universidad Publica de Navarra, Pamplona (Spain); Kadi-Hanifi, D. [Universite de Blida (Algeria)

    1995-12-31

    Elastic scattering {sup 32} S on {sup 24} Mg has been measured at 65.0, 75.0, 86.3, 95.0 and 110.0 MeV-lab energies, and the data were systematically analysed with semi-phenomenological potentials. Using microscopic potentials we found similar results at the lowest incident energies, for which we have compared both the microscopic and semi-phenomenological potentials. It appears that the absorption takes place in a narrow range at the nuclear surface and is mainly due to the low lying collective surface states. (author). 41 refs., 11 figs., 4 tabs.

  9. Study of the elastic scattering of {sup 6}He on {sup 208}Pb at energies around the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Benitez, A.M. [Departamento de Fisica Aplicada, Universidad de Huelva, E-21071 Huelva (Spain); Centre de Recherches du Cyclotron, Universite Catholique de Louvain, B-1348 Louvain-la-Neuve (Belgium); Escrig, D. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Alvarez, M.A.G.; Andres, M.V. [Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, E-41080 Sevilla (Spain); Angulo, C. [Centre de Recherches du Cyclotron, Universite Catholique de Louvain, B-1348 Louvain-la-Neuve (Belgium); Borge, M.J.G. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Cabrera, J. [Centre de Recherches du Cyclotron, Universite Catholique de Louvain, B-1348 Louvain-la-Neuve (Belgium); Cherubini, S. [INFN Laboratori Nazionali del Sud, I-95123 Catania (Italy); Demaret, P. [Centre de Recherches du Cyclotron, Universite Catholique de Louvain, B-1348 Louvain-la-Neuve (Belgium); Espino, J.M. [Dept. de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, E-41080 Sevilla (Spain); Figuera, P. [INFN Laboratori Nazionali del Sud, I-95123 Catania (Italy); Freer, M. [School of Physics and Astronomy, University of Birmingham, B15 2TT Birmingham (United Kingdom); Garcia-Ramos, J.E. [Departamento de Fisica Aplicada, Universidad de Huelva, E-21071 Huelva (Spain); Gomez-Camacho, J. [Dept. de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, E-41080 Sevilla (Spain); Gulino, M. [INFN Laboratori Nazionali del Sud, I-95123 Catania (Italy); Kakuee, O.R. [Van der Graaff Laboratory, Nuclear Research Centre, AEOI, PO Box 14155-1339, Tehran (Iran, Islamic Republic of); Martel, I. [Dept. de Fisica Aplicada, Universidad de Huelva, E-21071 Huelva (Spain)], E-mail: imartel@uhu.es; Metelko, C. [School of Physics and Astronomy, University of Birmingham, B15 2TT Birmingham (United Kingdom); Moro, A.M. [Dept. de Fisica Atomica, Molecular y Nuclear, Universidad de Sevilla, E-41080 Sevilla (Spain)] (and others)

    2008-04-15

    The elastic scattering of {sup 6}He on {sup 208}Pb has been measured at laboratory energies of 14, 16, 18 and 22 MeV. These data were analyzed using phenomenological Woods-Saxon form factors and optical model calculations. A semiclassical polarization potential was used to study the effect of the Coulomb dipole polarizability. Evidence for long range absorption, partially arising from Coulomb dipole polarizability, is reported. The energy variation of the optical potential was found to be consistent with the dispersion relations which connect the real and imaginary parts of the potential.

  10. Additive effects on the energy barrier for synaptic vesicle fusion cause supralinear effects on the vesicle fusion rate

    DEFF Research Database (Denmark)

    Schotten, Sebastiaan; Meijer, Marieke; Walter, Alexander Matthias

    2015-01-01

    supralinear effects on the fusion rate. To test this prediction experimentally, we developed a method to assess the number of releasable vesicles, rate constants for vesicle priming, unpriming, and fusion, and the activation energy for fusion by fitting a vesicle state model to synaptic responses induced...... by hypertonic solutions. We show that complexinI/II deficiency or phorbol ester stimulation indeed affects responses to hypertonic solution in a supralinear manner. An additive vs multiplicative relationship between activation energy and fusion rate provides a novel explanation for previously observed non...

  11. Reactivity, vibrational spectroscopy, internal rotation and thermochemical aspects of methylarsine

    Science.gov (United States)

    Viana, Rommel B.

    2017-01-01

    The aim of this investigation was to perform a characterization of the spectroscopic and thermodynamic properties of methylarsine (CH3AsH2). Post-Hartree-Fock, 29 DFT methods and eight different composite methodologies were employed in these analyses. A comparison between harmonic and anharmonic frequency accuracies in reproducing the observable frequencies was performed here. In addition, the CH3AsH2 → CH2AsH3 isomerization barrier energy was estimated in 100 kcal mol- 1, whereas the H2-release routes barrier heights were in the 45-107 kcal mol- 1 range. A rate constant of 10- 66 s- 1 was predicted regarding the isomerization route, while the CH2AsH3 hydrogen elimination mechanism is faster than the methylarsine one. The transition state structure of the CH3AsH2 internal rotational barrier energy varied between 1.0 and 1.4 kcal mol- 1. For the CH2AsH3 internal rotation the estimated barrier heights varied 0.6-2.5 kcal mol- 1. The adiabatic ionization energy and the heat of formation each structure was also calculated here. Table S2 Mean absolute error (MAE, in cm- 1) based in the harmonic frequencies calculated for each method in the prediction of the methylarsine experimental vibrational modes. Table S3 Calculated harmonic (ν, in cm- 1) and anharmonic (ω, in cm- 1) vibrational frequencies in reproducing the methylarsine observed frequencies using the cc-pVTZ basis sets. Table S4. Calculated harmonic (ZPVEHARM, in kcal mol- 1) and anharmonic (ZPVEANHARM, in kcal mol- 1) methylarsine zero-point vibrational energy values (ZPVE) and the difference (ΔZPVE) between both values. Table S5. Arsenic-Carbon bond order indexes for each molecule. Table S6 Properties at As-C bond critical points (BCPs) as electronic charge density [ρ(r)] and its Laplacian [∇2ρ(r)], total energy density [H(r)], ellipticity (ε) and the relationship between local potential energy and local energy density [V(r)/G(r)]. Table S7 Carbon [q(C)] and arsenic [q(As)] atomic charge distribution

  12. A quantum-rovibrational-state-selected study of the reaction in the collision energy range of 0.05-10.00 eV: translational, rotational, and vibrational energy effects.

    Science.gov (United States)

    Xu, Yuntao; Xiong, Bo; Chang, Yih-Chung; Pan, Yi; Lo, Po Kam; Lau, Kai Chung; Ng, C Y

    2017-04-12

    We report detailed absolute integral cross sections (σ's) for the quantum-rovibrational-state-selected ion-molecule reaction in the center-of-mass collision energy (Ecm) range of 0.05-10.00 eV, where (vvv) = (000), (100), and (020), and . Three product channels, HCO+ + OH, HOCO+ + H, and CO+ + H2O, are identified. The measured σ(HCO+) curve [σ(HCO+) versus Ecm plot] supports the hypothesis that the formation of the HCO+ + OH channel follows an exothermic pathway with no potential energy barriers. Although the HOCO+ + H channel is the most exothermic, the σ(HOCO+) is found to be significantly lower than the σ(HCO+). The σ(HOCO+) curve is bimodal, indicating two distinct mechanisms for the formation of HOCO+. The σ(HOCO+) is strongly inhibited at Ecm 0.4 eV by (100) vibrational excitation. The Ecm onsets of σ(CO+) determined for the (000) and (100) vibrational states are in excellent agreement with the known thermochemical thresholds. This observation, along with the comparison of the σ(CO+) curves for the (100) and (000) states, shows that kinetic and vibrational energies are equally effective in promoting the CO+ channel. We have also performed high-level ab initio quantum calculations on the potential energy surface, intermediates, and transition state structures for the titled reaction. The calculations reveal potential barriers of ≈0.5-0.6 eV for the formation of HOCO+, and thus account for the low σ(HOCO+) and its bimodal profile observed. The Ecm enhancement for σ(HOCO+) at Ecm ≈ 0.5-5.0 eV can be attributed to the direct collision mechanism, whereas the formation of HOCO+ at low Ecm < 0.4 eV may involve a complex mechanism, which is mediated by the formation of a loosely sticking complex between HCO+ and OH. The direct collision and complex mechanisms proposed also allow the rationalization of the vibrational inhibition at low Ecm and the vibrational enhancement at high Ecm observed for the σ(HOCO+).

  13. Waltzing of a helium pair in tungsten: Migration barrier and trajectory revealed from first-principles

    Directory of Open Access Journals (Sweden)

    J. G. Niu

    2014-06-01

    Full Text Available Despite well documented first-principles theoretical determination of the low migration energy (0.06 eV of a single He in tungsten, fully quantum mechanical calculations on the migration of a He pair still present a challenge due to the complexity of its trajectory. By identifying the six most stable configurations of the He pair in W and decomposing its motion into rotational, translational, and rotational-translational routines, we are able to determine its migration barrier and trajectory. Our density functional theory calculations demonstrate a He pair has three modes of motion: a close or open circular two-dimensional motion in (100 plane with an energy barrier of 0.30 eV, a snaking motion along [001] direction with a barrier of 0.30 eV, and a twisted-ladder motion along [010] direction with the two He swinging in the plane (100 and a barrier of 0.31 eV. The graceful associative movements of a He pair are related to the chemical-bonding-like He-He interaction being much stronger than its migration barrier in W. The excellent agreement with available experimental measurements (0.24–0.32 eV on He migration makes our first-principles result a solid input to obtain accurate He-W interatomic potentials in molecular dynamics simulations.

  14. Mild and Robust Redox-Neutral Pd/C-Catalyzed Lignol β-O-4' Bond Cleavage Through a Low-Energy-Barrier Pathway.

    Science.gov (United States)

    Galkin, Maxim V; Dahlstrand, Christian; Samec, Joseph S M

    2015-07-08

    A Pd/C catalyzed redox neutral C¢O bond cleavage of 2-aryloxy-1-arylethanols has been developed. The reactions are carried out at 80 °C, in air, using a green solvent system to yield the aryl ketones in near quantitative yields. Addition of catalytic amounts of a hydrogen source to the reaction mixture activates the catalyst to proceed through a low energy barrier pathway. Initial studies support a transfer hydrogenolysis reaction mechanism that proceeds through an initial dehydrogenation followed by an enol adsorption to Pd/C and a reductive C¢O bond cleavage. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Marginal deformations & rotating horizons

    Science.gov (United States)

    Anninos, Dionysios; Anous, Tarek; D'Agnolo, Raffaele Tito

    2017-12-01

    Motivated by the near-horizon geometry of four-dimensional extremal black holes, we study a disordered quantum mechanical system invariant under a global SU(2) symmetry. As in the Sachdev-Ye-Kitaev model, this system exhibits an approximate SL(2, ℝ) symmetry at low energies, but also allows for a continuous family of SU(2) breaking marginal deformations. Beyond a certain critical value for the marginal coupling, the model exhibits a quantum phase transition from the gapless phase to a gapped one and we calculate the critical exponents of this transition. We also show that charged, rotating extremal black holes exhibit a transition when the angular velocity of the horizon is tuned to a certain critical value. Where possible we draw parallels between the disordered quantum mechanics and charged, rotating black holes.

  16. Dynamics of energy coupling and thermalization in barrier discharges over dielectric and weakly conducting surfaces on µs to ms time scales

    Science.gov (United States)

    Leonov, Sergey B.; Petrishchev, Vitaly; Adamovich, Igor V.

    2014-11-01

    The paper presents experiments characterizing discharge development and energy coupling in a surface dielectric barrier discharge (SDBD), atmospheric air plasmas over dielectric and weakly conducting surfaces, over a wide range of time scales and electrical conductivities. The experiments are done using nanosecond pulse (NS) both single polarity and alternating polarity) and ac voltage waveforms. Discharge development and mechanisms of coupling with quiescent air are analysed using nanosecond gate camera imaging, schlieren imaging, and laser differential interferometry. It is shown that NS SDBD plasmas generate stochastic, localized, near-surface perturbations on a long time scale (>100 μs) after the discharge pulse. These perturbations, entirely different from compression waves generated on a short time scale (~1-10 μs), are caused by discharge contraction and originate from the ends of the filaments. Surface conductivity has almost no effect on discharge behaviour if RC time of the conducting surface layer is much longer compared to the characteristic time of NS or ac voltage waveforms. In the opposite limit of short RC time, the conducting layer acts as an extension of the high-voltage electrode. Discharge contraction significantly increases energy stored on the dielectric surface, which in this case exceeds energy dissipated as Joule heat. The stored energy is dissipated if the discharge pulse is followed by an opposite polarity pulse. In a single polarity discharge, on the other hand, surface charge accumulation limits energy coupled to the plasma by subsequent pulses. The results demonstrate that surface plasma actuator control authority may be significantly increased by using an alternating polarity pulse waveform, which is more effective than the removal of surface charge between the pulses using a weakly conducting surface.

  17. Further explorations of Skyrme-Hartree-Fock-Bogoliubov mass formulas. V. Extension to fission barriers

    Science.gov (United States)

    Samyn, M.; Goriely, S.; Pearson, J. M.

    2005-10-01

    Large-scale fission barrier calculations have been performed in the framework of the Skyrme-Hartree-Fock model. Our Hartree-Fock-Bogoliubov calculations restore broken symmetries such as translational invariance, particle-number conservation, parity, and, in a more approximate way, rotational invariance. Axial symmetry is imposed, but reflection asymmetry is allowed. The energy surface properties are analyzed with the flooding method. A large set of Skyrme interactions, which were fitted to all known masses under different specific constraints, is used to study the main effects influencing the energy surface and the barrier heights. The principal interaction used in the comparison with experimental barriers is BSk8, the force on which the HFB-8 mass table is based. We found that for nuclei with 92≤Z≤98 the agreement of our calculations with experimental data is excellent; the rms deviation on the primary barriers is 0.722 MeV. For lighter nuclei, however, the calculated primary barriers are always too high because of the existence of a third barrier at very high deformations. However, our calculated superheavy barriers appear to be too low, although they are consistent with previous calculations.

  18. Ion energy and angular distributions onto polymer surfaces delivered by dielectric barrier discharge filaments in air: II. Particles

    Energy Technology Data Exchange (ETDEWEB)

    Babaeva, Natalia Yu; Kushner, Mark J, E-mail: nbabaeva@umich.edu, E-mail: mjkush@umich.edu [University of Michigan, Department of Electrical Engineering and Computer Science 1301 Beal Ave, Ann Arbor, MI 48109 (United States)

    2011-06-15

    Atmospheric pressure streamers intersecting particles are of interest in the context of plasma aided combustion, where the particle may be a fuel aerosol droplet, or in sterilization of air, where the particle may be a bacterium. The ion energy and angular distributions (IEADs) incident on the particles, small curved dielectric surfaces, then in part determine the propensity for activating chemical reactions or, in the case of bacteria, the plasma's sterilization capability. In this paper, we discuss results from a computational investigation of IEADs on small particles (45 {mu}m radius) produced by atmospheric pressure discharge. Streamers intersecting a particle momentarily generate a large sheath potential as the streamer passes by as the particle charges towards the plasma floating potential. During that time, ions of energies up to 3-10 eV can strike the particle. The permittivity of the particle and the streamer polarity in part determine the character of the IEAD.

  19. Energy Systems Based on Polyacetylene: Rechargeable Batteries and Schottky Barrier Solar Cells. Final Report, March 1, 1981-February 29, 1984

    Science.gov (United States)

    MacDiarmid, A. G.

    1984-02-01

    The chief thrust of the research has been directed towards the evaluation of polyacetylene (CH){sub x}, the prototype conducting polymer as an electrode- active material in novel, rechargeable batteries employing nonaqueous electrolytes. The p-doped material, [(CH{sup +y})A{sub y}{sup -}]{sub x}, (where A{sup -} is an anion) in conjunction with a Li anode, shows excellent discharge characteristics, e.g., very little change in discharge voltage with change in discharge current and a high power density. Its energy density is also good but it shows poor shelf life. When (CH){sub x} is used as a cathode (Li anode), which results in the formation of the n-doped polymer, [Li{sub y} {sup +}(CH/sup -y/)]{sub x}, during discharge, good discharge plateaus and power densities are obtained together with excellent shelf life and good recyclability. The energy density is, however only moderate. Cells employing an [M{sub y}{sup +}(CH/sup -y/)]{sub x} (where M = Li, Na) anode and a TiS{sub 2} cathode show very good discharge and recycling characteristics but their energy density is poor.

  20. High energy milling of alumina synthesized by combustion reaction using attritor mill vertical axis: influence of rotation speed; Moagem de alta energia de alumina sintetizada por reacao de combustao utilizando moinho atritor de eixo vertical: influencia da velocidade de rotacao

    Energy Technology Data Exchange (ETDEWEB)

    Silva, M.C. da; Silva, F.N.; Costa, A.C.F.M. [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Unidade Academica de Engenharia de Materiais; Costa, G.B. [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Unidade Academica de Engenharia de Producao; Freitas, N.L. de, E-mail: normanda@ufcg.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Unidade Academica de Tecnologia do Desenvolvimento

    2014-07-01

    The use of a reactive high energy milling for the synthesis of ceramic powders of metal oxides, carbides, borides, nitrides or mixtures of ceramics or ceramic and metal compounds have been widely reported. The objective of this study is to assess how high energy ball milling (not reactive) using different rotations, 300, 400 and 500 rpm, alter the structure and morphology of alpha-alumina powders synthesized by combustion reaction. Time and temperature of the combustion reaction has been reported for the synthesis of aluminas. The samples of unmilled and milled alumina were characterized by XRD, SEM and particle size analysis. The results showed that the maximum reaction temperature reached was 598°C. The variation of the rotation of the mill did not affect the majority alpha-Al2O3 by stable crystal phase all samples. The median particle diameter of the milled samples at different speeds decreased with respect to unground sample. (author)

  1. The Oklahoma Field Test: Air-Conditioning Electricity Savings from Standard Energy Conservation Measures, Radiant Barriers, and High-Efficiency Window Air Conditioners

    Energy Technology Data Exchange (ETDEWEB)

    Ternes, M.P.

    1992-01-01

    A field test involving 104 houses was performed in Tulsa, Oklahoma, to measure the air-conditioning electricity consumption of low-income houses equipped with window air conditioners, the reduction in this electricity consumption attributed to the installation of energy conservation measures (ECMs) as typically installed under the Oklahoma Weatherization Assistance Program (WAP), and the reduction achieved by the replacement of low-efficiency window air conditioners with high-efficiency units and the installation of attic radiant barriers. Air-conditioning electricity consumption and indoor temperature were monitored weekly during the pre-weatherization period (June to September 1988) and post-weatherization period (May to September 1989). House energy consumption models and regression analyses were used to normalize the air-conditioning electricity savings to average outdoor temperature conditions and the pre-weatherization indoor temperature of each house. The average measured pre-weatherization air-conditioning electricity consumption was 1664 kWh/year ($119/year). Ten percent of the houses used less than 250 kWh/year, while another 10% used more than 3000 kWh/year. An average reduction in air-conditioning electricity consumption of 535 kWh/year ($38/year and 28% of pre-weatherization consumption) was obtained from replacement of one low-efficiency window air conditioner (EER less than 7.0) per house with a high-efficiency unit (EER greater than 9.0). For approximately the same cost, savings tripled to 1503 kWh/year ($107/year and 41% of pre-weatherization consumption) in those houses with initial air-conditioning electricity consumption greater than 2750 kWh/year. For these houses, replacement of a low-efficiency air conditioner with a high-efficiency unit was cost effective using the incremental cost of installing a new unit now rather than later; the average installation cost for these houses under a weatherization program was estimated to be $786. The

  2. Mixed quantum/classical calculations of total and differential elastic and rotationally inelastic scattering cross sections for light and heavy reduced masses in a broad range of collision energies.

    Science.gov (United States)

    Semenov, Alexander; Babikov, Dmitri

    2014-01-28

    The mixed quantum/classical theory (MQCT) for rotationally inelastic scattering developed recently [A. Semenov and D. Babikov, J. Chem. Phys. 139, 174108 (2013)] is benchmarked against the full quantum calculations for two molecular systems: He + H2 and Na + N2. This allows testing new method in the cases of light and reasonably heavy reduced masses, for small and large rotational quanta, in a broad range of collision energies and rotational excitations. The resultant collision cross sections vary through ten-orders of magnitude range of values. Both inelastic and elastic channels are considered, as well as differential (over scattering angle) cross sections. In many cases results of the mixed quantum/classical method are hard to distinguish from the full quantum results. In less favorable cases (light masses, larger quanta, and small collision energies) some deviations are observed but, even in the worst cases, they are within 25% or so. The method is computationally cheap and particularly accurate at higher energies, heavier masses, and larger densities of states. At these conditions MQCT represents a useful alternative to the standard full-quantum scattering theory.

  3. Activation measurements of 13C+12C fusion cross section at deep sub-barrier energies in IFIN-HH

    Science.gov (United States)

    Tudor, D.; Chilug, A. I.; Stefanescu, I. C.; Straticiuc, M.; Burducea, I.; Trache, L.; Focsa, I. M.; Ghita, D. G.; Margineanu, R.; Pantelica, A.; Gomoiu, C.; Zhang, N. T.; Tang, X.; Chen, H.

    2017-06-01

    Heavy-ion fusion reactions between light nuclei such as carbon and oxygen isotopes have been studied because of their significance for a wide variety of stellar burning scenarios [1]. One important stellar reaction is 12C+12C, but it is difficult to measure in the Gamow window because of very low cross sections and several resonances occurring [2]. Hints can be obtained from the study of 13C+12C reaction. We studied 13C+12C fusion trough an activation method for energies from Ec.m.= 2.2 MeV, which is the lowest energy ever reached for this reaction (down into Gamow window), up to 5.3 MeV, using 13C beams from the Bucharest 3 MV Tandetron on thick graphite targets. Thick target yield for the 12C(13C, p)24Na reaction was determined through the measurement of the gamma ray yield following the beta decay of 24Na (T1/2=15 h) in our low and ultralow background laboratories, the latter located in a salt mine about 100 km north of Bucharest. Results of the experiments are shown.

  4. Probing Vitamine C, Aspirin and Paracetamol in the Gas Phase: High Resolution Rotational Studies

    Science.gov (United States)

    Mata, S.; Cabezas, C.; Varela, M.; Pena, I.; Nino, A.; López, J. C.; Alonso, J. L.; Grabow, J.-U.

    2011-06-01

    A solid sample of Vitamin C (m.p. 190°C) vaporized by laser ablation has been investigated in gas phase and characterized through their rotational spectra. Two spectroscopy techniques has been used to obtain the spectra: a new design of broadband chirped pulse Fourier transform microwave spectroscopy with in-phase/quadrature-phase-modulation passage-acquired-coherence technique (IMPACT) and conventional laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW). Up to now, two low-energy conformer have been observed and their rotational constants determined. Ab initio calculations at the MP2/6-311++G (d,p) level of theory predicted rotational constants which helped us to identify these conformers unequivocally. Among the molecules to benefit from the LA-MB-FTMW technique there are common important drugs never observed in the gas phase through rotational spectroscopy. We present here the results on acetyl salicylic acid and acetaminophen (m.p. 136°C), commonly known as aspirin and paracetamol respectively. We have observed two stable conformers of aspirin and two for paracetamol. The internal rotation barrier of the methyl group in aspirin has been determined for both conformers from the analysis of the A-E splittings due to the coupling of internal and overall rotation. J. L. Alonso, C. Pérez, M. E. Sanz, J. C. López, S. Blanco, Phys. Chem. Chem. Phys. 11,617-627 (2009)and references therein

  5. Mechanisms of the rotational dynamics of C70 in C70-cubane heteromolecular crystals.

    Science.gov (United States)

    Faro, Tatiana M C; Skaf, Munir S; Coluci, Vitor R

    2011-12-28

    Fullerenes and cubane (C(8)H(8)) can be arranged to form heteromolecular crystals that exhibit interesting crystal phases. Experimental measurements indicate a rotor-stator phase for C(60)-cubane crystals in which the C(60) molecules rotate freely whereas cubane molecules are essentially static. A similar phase is found for C(70)-cubane crystals but, due to C(70)'s asymmetry, hindered rotations can be observed in specific crystal phases. Details of the rotational dynamics of the fullerenes in these heteromolecular crystals are difficult to be completely assessed by experiments. To this end, we have performed classical molecular dynamics simulations of C(70)-cubane crystals to investigate the behavior of C(70) fullerenes and cubanes in the face-centered cubic and body-centered tetragonal crystallographic phases. Our simulations show that, in the cubic phase, C(70) molecules are allowed to freely rotate whereas cubanes act as molecular bearings. In the tetragonal phase, the cubane molecules also remain practically fixed and the rotation of C(70) fullerenes becomes hindered. In this phase, C(70) molecules rotate around the fivefold axis, which in turn precesses about the c crystallographic direction of the unit cell. Details regarding the dynamics (e.g., energy barriers, reorientational relaxation processes, and phonon-libration coupling) of the C(70) molecules in both crystal phases are discussed. In general, our results agree with previous experimental findings for C(70)-cubane crystals.

  6. Investigation of complete and incomplete fusion dynamics of {sup 20}Ne induced reactions at energies above the Coulomb barrier

    Energy Technology Data Exchange (ETDEWEB)

    Singh, D., E-mail: dsinghiuac@gmail.com [Centre for Applied Physics, Central University of Jharkhand, Ranchi-835 205 (India); Ali, R. [Department of Physics, G.F.(P.G.), College, Shahjahanpur-242 001 (India); Kumar, Harish; Ansari, M. Afzal [Department of Physics, Aligarh Muslim University, Aligarh-202 002 (India); Rashid, M. H.; Guin, R. [Variable Energy Cyclotron Centre, 1/AF, Bidhan Nagar, Kolkata-700 064 (India)

    2014-08-14

    Experiment has been performed to explore the complete and incomplete fusion dynamics in heavy ion collisions using stacked foil activation technique. The measurement of excitation functions of the evaporation residues produced in the {sup 20}Ne+{sup 165}Ho system at projectile energies ranges ≈ 4-8 MeV/nucleon have been done. Measured cumulative and direct cross-sections have been compared with the theoretical model code PACE-2, which takes into account only the complete fusion process. The analysis indicates the presence of contributions from incomplete fusion processes in some α-emission channels following the break-up of the projectile {sup 20}Ne in the nuclear field of the target nucleus {sup 165}Ho.

  7. Use of ETBAmethod (Energy Trace and Barrier Analysis forhazard identification in a paint shop of an automobile production factory

    Directory of Open Access Journals (Sweden)

    MH. Heidari

    2006-10-01

    Full Text Available Background and aims   Occupational accidents and diseases cost 1.25 thousands billion $ to economic of world & links 2 million annually. Rate of death due to occupational accidents in developing countries in some cases is 4 times to developed industrial countries. To control accidents & resultant damages, identification of potential agents causing accidents in  necessary. One of the modern methods for identification these agents is ETBA. This method is  based on energy model. This model present energy as potential agent causing accident & according  to this, propose a set of control strategies that are in different levels of priority due to their  effectiveness   Methods   This research is a case study that is a kind of qualitative researches and it had done in an  automobile factory's paint shop. First in this study ETBA method used to identify hazards, then  risks were analysed and in the last phase, approaches were proposed for decrease level of   unacceptable risks.   Results   This study determined that in this field, two category of hazards are in first priority for   performing control measures:  First category contains chemical hazards that might lead to catastrophic consequences like fire &  cancer. Highest risk portion o this paint shop is manually spray painting booth and spray painting  stations that is placed in repair lines.  Second category contains hazards that causes accidents repeatedly the highest risk portions are stations where ground conveyor moves car bodies (pain and repair lines.   Conclusion   Because of these two category of hazards are concentrated in paint and repair lines, these lines should be in first priority for control hazards.

  8. Rotating electrical machines

    CERN Document Server

    Le Doeuff, René

    2013-01-01

    In this book a general matrix-based approach to modeling electrical machines is promulgated. The model uses instantaneous quantities for key variables and enables the user to easily take into account associations between rotating machines and static converters (such as in variable speed drives).   General equations of electromechanical energy conversion are established early in the treatment of the topic and then applied to synchronous, induction and DC machines. The primary characteristics of these machines are established for steady state behavior as well as for variable speed scenarios. I

  9. Collision energy dependence of the HD(nu' = 2) product rotational distribution of the H + D2 reaction in the range 1.30-1.89 eV.

    Science.gov (United States)

    Ausfelder, Florian; Pomerantz, Andrew E; Zare, Richard N; Althorpe, Stuart C; Aoiz, F J; Banares, Luis; Castillo, Jesus F

    2004-02-15

    An experimental and theoretical investigation of the collision energy dependence of the HD(nu' = 2,j') rotational product state distribution for the H + D2 reaction in the collision energy range of Ecol = 1.30-1.89 eV has been carried out. Theoretical results based on time-dependent and time-independent quantum mechanical methods agree nearly perfectly with each other, and the agreement with the experiment is good at low collision energies and very good at high collision energies. This behavior is in marked contrast to a previous report on the HD(nu' = 3,j') product state rotational distribution [Pomerantz et al., J. Chem. Phys. 120, 3244 (2004)] where a systematic difference between experiment and theory was observed, especially at the highest collision energies. The reason for this different behavior is not yet understood. In addition, this study employs Doppler-free spectroscopy to resolve an ambiguity in the E, F-X resonantly enhanced multiphoton ionization transition originating from the HD(nu' = 2,j' = 1) state, which is found to be caused by an accidental blending with the transition coming from the HD(nu' = 1,j' = 14) state. Copyright 2004 American Institute of Physics

  10. The Effects of Internal Rotation and 14N Quadrupole Coupling in N-Methyldiacetamide

    Science.gov (United States)

    Kannengießer, Raphaela; Eibl, Konrad; Nguyen, Ha Vinh Lam; Stahl, Wolfgang

    2015-06-01

    Acetyl- and nitrogen containing substances play an important role in chemical, physical, and especially biological systems. This applies in particular for acetamides, which are structurally related to peptide bonds. In this work, N-methyldiacetamide, CH_3N(COCH_3)_2, was investigated by a combination of molecular beam Fourier transform microwave spectroscopy and quantum chemical calculations. In N-methyldiacetamide, at least three large amplitude motions are possible: (1) the internal rotation of the methyl group attached to the nitrogen atom and (2, 3) the internal rotations of both acetyl methyl groups. This leads to a rather complicated torsional fine structure of all rotational transitions with additional quadrupole hyperfine splittings caused by the 14N nucleus. Quantum chemical calculations were carried out at the MP2/6-311++G(d,p) level of theory to support the spectral assignment. Conformational analysis was performed by calculating a full potential energy surface depending on the orientation of the two acetyl groups. This yielded three stable conformers with a maximum energy difference of 35.2 kJ/mol. The spectrum of the lowest energy conformer was identified in the molecular beam. The quadrupole hyperfine structure as well as the internal rotation of two methyl groups could be assigned. For the N-methyl group and for one of the two acetyl methyl groups, barriers to internal rotation of 147 cm-1 and of 680 cm-1, respectively, were determined. The barrier of the last methyl group seems to be so high that no additional splittings could be resolved. Using the XIAM program, a global fit with a standard deviation on the order of our experimental accuracy could be achieved.

  11. Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences.

    Directory of Open Access Journals (Sweden)

    Alexander M Sevy

    2015-07-01

    Full Text Available Computational protein design has found great success in engineering proteins for thermodynamic stability, binding specificity, or enzymatic activity in a 'single state' design (SSD paradigm. Multi-specificity design (MSD, on the other hand, involves considering the stability of multiple protein states simultaneously. We have developed a novel MSD algorithm, which we refer to as REstrained CONvergence in multi-specificity design (RECON. The algorithm allows each state to adopt its own sequence throughout the design process rather than enforcing a single sequence on all states. Convergence to a single sequence is encouraged through an incrementally increasing convergence restraint for corresponding positions. Compared to MSD algorithms that enforce (constrain an identical sequence on all states the energy landscape is simplified, which accelerates the search drastically. As a result, RECON can readily be used in simulations with a flexible protein backbone. We have benchmarked RECON on two design tasks. First, we designed antibodies derived from a common germline gene against their diverse targets to assess recovery of the germline, polyspecific sequence. Second, we design "promiscuous", polyspecific proteins against all binding partners and measure recovery of the native sequence. We show that RECON is able to efficiently recover native-like, biologically relevant sequences in this diverse set of protein complexes.

  12. Imaging Hindered Rotations of Alkoxy Species on TiO2(110)

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhenrong; Rousseau, Roger J.; Gong, Jinlong; Kay, Bruce D.; Dohnalek, Zdenek

    2009-12-16

    We present the first study of the rotational dynamics of organic species on any oxide surface. Specifically, variable-temperature scanning tunneling microscopy (STM) and dispersion-corrected density functional theory are used to study the alkyl chain conformational disorder and dynamics of 1-, 2-, 3- and 4-octoxy on rutile TiO2(110). Initially, the geminate pairs of the octoxy and bridging hydroxyl species are created via octanol dissociation on bridging-oxygen (Ob) vacancy defects. The STM images provide time averaged snapshots of octoxy species rotating among multiple energetically nearly-degenerate configurations accessible at a given temperature. In the calculations we find that the underlying corrugated potential energy surface is a result of the interplay between attractive Van der Waals dispersion forces leading to weak attractive C...Ti and repulsive C...Ob interactions which lead to large barriers of 50-70kJmol-1 for the rotation of the octoxy alkyl chains across the Ob rows. In the presence of the germinal hydroxyl groups we find that the relative populations of the various conformations as well as the rotational barriers are perturbed by the presence of geminate hydroxyl due to additional C...hydroxyl repulsions.

  13. Rotating Cavitation Supression Project

    Data.gov (United States)

    National Aeronautics and Space Administration — FTT proposes development of a rotating cavitation (RC) suppressor for liquid rocket engine turbopump inducers. Cavitation instabilities, such as rotating cavitation,...

  14. Ubiquitous human 'master' origins of replication are encoded in the DNA sequence via a local enrichment in nucleosome excluding energy barriers.

    Science.gov (United States)

    Drillon, Guénola; Audit, Benjamin; Argoul, Françoise; Arneodo, Alain

    2015-02-18

    As the elementary building block of eukaryotic chromatin, the nucleosome is at the heart of the compromise between the necessity of compacting DNA in the cell nucleus and the required accessibility to regulatory proteins. The recent availability of genome-wide experimental maps of nucleosome positions for many different organisms and cell types has provided an unprecedented opportunity to elucidate to what extent the DNA sequence conditions the primary structure of chromatin and in turn participates in the chromatin-mediated regulation of nuclear functions, such as gene expression and DNA replication. In this study, we use in vivo and in vitro genome-wide nucleosome occupancy data together with the set of nucleosome-free regions (NFRs) predicted by a physical model of nucleosome formation based on sequence-dependent bending properties of the DNA double-helix, to investigate the role of intrinsic nucleosome occupancy in the regulation of the replication spatio-temporal programme in human. We focus our analysis on the so-called replication U/N-domains that were shown to cover about half of the human genome in the germline (skew-N domains) as well as in embryonic stem cells, somatic and HeLa cells (mean replication timing U-domains). The 'master' origins of replication (MaOris) that border these megabase-sized U/N-domains were found to be specified by a few hundred kb wide regions that are hyper-sensitive to DNase I cleavage, hypomethylated, and enriched in epigenetic marks involved in transcription regulation, the hallmarks of localized open chromatin structures. Here we show that replication U/N-domain borders that are conserved in all considered cell lines have an environment highly enriched in nucleosome-excluding-energy barriers, suggesting that these ubiquitous MaOris have been selected during evolution. In contrast, MaOris that are cell-type-specific are mainly regulated epigenetically and are no longer favoured by a local abundance of intrinsic NFRs encoded in

  15. IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part IV. Energy levels and transition wavenumbers for D216O, D217O, and D218O

    Science.gov (United States)

    Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Császár, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Vandaele, Ann Carine; Zobov, Nikolai F.; Dénes, Nóra; Fazliev, Alexander Z.; Furtenbacher, Tibor; Gordon, Iouli E.; Hu, Shui-Ming; Szidarovszky, Tamás; Vasilenko, Irina A.

    2014-07-01

    This paper is the fourth of a series of papers reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This paper presents energy level and transition data for the following doubly and triply substituted isotopologues of water: D216O, D217O, and D218O. The MARVEL (Measured Active Rotational-Vibrational Energy Levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-14 016, 0-7969, and 0-9108 cm-1 for D216O, D217O, and D218O, respectively. For D216O, D217O, and D218O, 53 534, 600, and 12 167 lines are considered, respectively, from spectra recorded in absorption at room temperature and in emission at elevated temperatures. The number of validated energy levels is 12 269, 338, and 3351 for D216O, D217O, and D218O, respectively. The energy levels have been checked against the ones determined, with an average accuracy of about 0.03 cm-1, from variational rovibrational computations employing exact kinetic energy operators and an accurate potential energy surface. Furthermore, the rovibrational labels of the energy levels have been validated by an analysis of the computed wavefunctions using the rigid-rotor decomposition (RRD) scheme. The extensive list of MARVEL lines and levels obtained is deposited in the Supplementary Material of this paper, in a distributed information system applied to water, W@DIS, and on the official MARVEL website, where they can easily be retrieved.

  16. Superheavy nuclei and fission barriers

    Science.gov (United States)

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

    In this chapter, we will present relativistic mean field (RMF) description of heavy and superheavy nuclei (SHN). We will discuss the shell structure and magic numbers in the mass region of SHN, binding energies and α decay Q values, shapes of ground states and potential energy surfaces and fission barriers. We particularly focus on the multidimensionally-constrained covariant density functional theories (CDFT) and the applications of CDFT to the study of exotic nuclear shapes and fission barriers.

  17. Understanding the role of silica nanospheres with their light scattering and energy barrier properties in enhancing the photovoltaic performance of ZnO based solar cells.

    Science.gov (United States)

    Banik, Avishek; Ansari, Mohammad Shaad; Sahu, Tushar Kanta; Qureshi, Mohammad

    2016-10-12

    The present study discusses the design and development of a dye sensitized solar cell (DSSC) using a hybrid composite of ZnO nanoparticles (ZnO NP) and silica nanospheres (SiO 2 NS). A ≈22% enhancement in the overall power conversion efficiency (PCE, η) was observed for the device fabricated with a binary hybrid composite of 1 wt% SiO 2 NS and ZnO NP compared to the pristine ZnO NP device. A systematic investigation revealed the dual function of the silica nanospheres in enhancing the device efficacy compared to the bare ZnO NP based device. Sub-micron sized SiO 2 NS can boost the light harvesting efficiency of the photoanode by optical confinement, resulting in increased propagation length of the incident light by multiple internal reflections, which was confirmed by UV-Vis diffused reflectance spectroscopy. Electrochemical impedance spectroscopic (EIS) analysis showed a reduced recombination of photo-generated electrons to the I - /I 3 - redox shuttle in the case of the composite photoanode. The higher recombination resistance (R ct ) in the case of a 1 wt% composite indicates that the SiO 2 NS serves as a partial energy barrier layer to retard the interfacial recombination (back transfer) of photo-generated electrons at the working electrode/electrolyte interface, increasing the device efficiency.

  18. Enhanced neutron pair transfer and collective excitations in the system sup 2 sup 0 sup 6 Pb+ sup 1 sup 1 sup 8 Sn at barrier energies

    CERN Document Server

    Peter, I; Kaspar, M; Kozhoukharov, I; Rejmund, M; Wollersheim, H J; Oertzen, W V; Fachbereich-Physik, F U B; Thummerer, S; Bohlen, H G; Gebauer, B; Kröll, T; Thompson, I J

    2003-01-01

    At energies below the Coulomb barrier, neutron transfer and Coulomb excitation have been measured in a very heavy asymmetric nuclear system, in sup 2 sup 0 sup 6 Pb+ sup 1 sup 1 sup 8 Sn. These are semi-magic nuclei showing super-fluid properties. Particle-gamma coincidence techniques using 5 Euroball Cluster detectors (EB), combined in a set-up with the Heidelberg-Darmstadt NaI Crystal Ball (CB), have been used. Position-sensitive detectors allowed the observation of scattering processes covering angles from 110 up to 150 degrees. The fragments are identified via the known gamma-decays of the lowest excited states using the high resolution of EB. Using the unique feature of the set-up with the CB, transfer to well-defined final channels with known quantum numbers is selected using the high-efficiency multiplicity filter of the CB with no second gamma-ray, i.e. without feeding. The data are analysed using the semi-classical approach and transfer probabilities are obtained. Coulomb excitation has been analysed...

  19. Design of free-barrier InGaAs/GaNAs multiple quantum well solar cells with 1.2 eV energy gap

    Science.gov (United States)

    Yanwachirakul, Warakorn; Miyashita, Naoya; Sodabanlu, Hassanet; Watanabe, Kentaroh; Sugiyama, Masakazu; Okada, Yoshitaka; Nakano, Yoshiaki

    2017-08-01

    InGaAs and GaNAs were selected as components of a multiple quantum well (MQW) with a free-barrier conduction band (FB-CB) in which the quantum confinement for electrons was eliminated. Since the calculation demonstrated that the energy gap of a strain-balanced FB-CB InGaAs/GaNAs MQW could be decreased to 1.2 eV with lattice matching to Ge, this structure was expected as a potential absorber of the middle cell of a three-junction solar cell based on the Ge bottom cell. Additionally, the InGaAs/GaNAs MQW could mitigate detrimental impacts of the short lifetime of GaNAs because of the preferential existence of holes in InGaAs, and it can realize more efficient carrier transport than bulk GaInNAs. The time-resolved photoluminescence (TRPL) results demonstrated that the InGaAs/GaNAs MQW cell provided a significantly longer lifetime than the GaInNAs thin-film cell. The open-circuit voltage of the InGaAs/GaNAs MQW cell was superior to that of the GaInNAs thin-film cell.

  20. Breakup of 8B on 58Ni at energies around the Coulomb barrier and the astrophysical S17(0 factor revisited

    Directory of Open Access Journals (Sweden)

    Morales-Rivera J.C.

    2017-01-01

    Full Text Available Calculations of breakup and direct proton transfer for the 8B+58Ni system at energies around the Coulomb barrier (EB,lab=22.95 MeV were performed by the continuum-discretized coupled channels (CDCC method and the coupled-reaction-channels (CRC method, respectively. For the 7Be+58Ni interaction, we used a semimicroscopic optical model potential (OMP that combines microscopic calculations of the mean-field double folding potential and a phenomenological construction of the dynamical polarization potential (DPP. The 7Be angular distribution at Elab=25.75 MeV from the 8B breakup on 58Ni was calculated and the spectroscopic factor for 8B → 7Be+p vertex, Sexpt = 1.10 ± 0.05, was deduced. The astrophysical S17(0 factor was calculated equal to 20.7 ±1.1 eV•b, being in good agreement with the previously reported values.

  1. Alpha Channeling in Rotating Plasma with Stationary Waves

    Energy Technology Data Exchange (ETDEWEB)

    A. Fetterman and N.J. Fisch

    2010-02-15

    An extension of the alpha channeling effect to supersonically rotating mirrors shows that the rotation itself can be driven using alpha particle energy. Alpha channeling uses radiofrequency waves to remove alpha particles collisionlessly at low energy. We show that stationary magnetic fields with high nθ can be used for this purpose, and simulations show that a large fraction of the alpha energy can be converted to rotation energy.

  2. The conformational potential energy surface of IOONO and the isomerization and decomposition processes

    Science.gov (United States)

    Papayannis, Demetrios K.; Kosmas, Agnie M.

    2005-08-01

    The conformational potential energy surface of iodine peroxy nitrite was investigated using high levels of electronic structure theory. Two minimum energy conformers and five energy maxima have been determined. The comparison with other peroxy nitrites shows interesting correlations with the internal rotational barriers of the Cl, Br analogues and with peroxynitrous acid. Distinct transition states for the isomerization to iodine nitrate and the scission of the peroxy bond have been calculated. Finally, the thermochemistry of IOONO and IONO 2 has been reconsidered.

  3. Silabutadienes. Internal rotations and pi-conjugation. A density functional theory study.

    Science.gov (United States)

    Xi, Hong-Wei; Karni, Miriam; Apeloig, Yitzhak

    2008-12-18

    The potential energy surfaces (PESs) for internal rotation around the central single bond of nine silabutadienes, which include all possible mono-, di-, tri-, and tetrasilabutadienes, are investigated computationally by using DFT with the B3LYP functional and the 6-311+G(d,p) basis set. For 1-silabutadiene (3), 2-silabutadiene (4), 1,4-disilabutadiene (5), 2,3-disilabutadiene (6), and 1,3-disilabutadiene (7), the s-trans rotamer is the most stable. For 1,2-disilabutadiene (8), 1,2,3-trisilabutadiene (9), and 1,2,4-trisilabutadiene (10), all having a trans-bent SiSi double bond, the most stable conformers are those having an antiperiplanar (ap) structure. For tetrasilabutadiene (11), the global minimum is the gauche rotamer. The internal rotation barriers (RB) (relative to the global minimum) follow the order (kcal/mol) 5 (10.0) > 3 (7.4) > 1,3-butadiene (12, (6.6)) > 10 (4.9) > or = 7 (4.4) > or = 4 (4.0) approximately = 8 (3.9) > 9 (2.7) approximately = 6 (2.6) > 11 (2.4). The barriers are slightly smaller at CCSD(T)/cc-PVTZ, but the trend remains the same. The size of the rotation barrier is mainly dictated by the length of the central single bond; that is, it is the largest for dienes with the shorter C-C central bond (5, 3, and 12), and it is smaller for dienes with the longer Si-C and Si-Si central bonds. The strength of pi-conjugation in the s-trans conformers of silabutadienes was estimated by resonance stabilization energies (RE) calculated by using the Natural Bond Orbital (NBO) and Block Localized Wave function (BLW) methods and bond separation equations. A linear correlation is found between the barrier heights for internal rotation and pi-conjugation energies. The calculated RBs are significantly smaller than the corresponding REs, indicating that pi-resonance energies are not the only factor that dictate the RB, and therefore, RBs, although suitable for estimating trends in pi-conjugation in a series of compounds, cannot be used for estimating absolute

  4. Organizational barriers

    Science.gov (United States)

    Kenneth S. Blonski

    1995-01-01

    One of the traditional roles that prescribed fire has played in the fire management arena is reduction of hazardous fuel buildups under controlled, well-defined environmental conditions. However, our ability to use this tool effectively is blocked by many barriers. The preceding panel discussion about the causes of limited success in implementing prescribed burning...

  5. The threshold anomaly from the simultaneous calculation of elastic scattering and fusion cross sections for the systems {sup 9}Be+{sup 144}Sm and {sup 9}Be+{sup 64}Zn for energies around the barrier

    Energy Technology Data Exchange (ETDEWEB)

    Camacho, A. G.; Aguilera, E. F.; Quiroz, E. M. [Departamento de Aceleradores, ININ, La Marquesa, 52750 Estado de Mexico (Mexico); Gomes, P. R. S.; Lubian, J. [Instituto de Fisica, Universidade Federal Fluminenese, Av. Litoranea s/n, Gragoata, Niteroi, 24210-340 Rio de Janeiro (Brazil)

    2008-12-15

    The energy dependence of the optical potential is used to study the threshold anomaly for reactions with the weakly bound projectile {sup 9}Be on {sup 144}Sm and {sup 64}Zn for energies around the Coulomb barrier. The energy dependent potential parameters are obtained from a simultaneous X{sup 2}-analysis of elastic scattering and fusion data. There are signatures that in fact, the so-called breakup threshold anomaly shows up for these systems. This finding is in agreement with other calculations involving weakly bound projectiles. (Author)

  6. High Accuracy ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System.

    Science.gov (United States)

    Makhnev, Vladimir Yu; Kyuberis, Aleksandra A; Zobov, Nikolai F; Lodi, Lorenzo; Tennyson, Jonathan; Polyansky, Oleg L

    2018-02-08

    Highly accurate ab initio calculations of vibrational and rotational-vibrational energy levels of the HCN/HNC (hydrogen cyanide/hydrogen isocyanide) isomerising system are presented for several isotopologues. All-electron multireference configuration interaction (MRCI) electronic structure calculations were performed using basis sets up to aug-cc-pCV6Z on a grid of 1541 geometries. The ab initio energies were used to produce an analytical potential energy surface (PES) describing the two minima simultaneously. An adiabatic Born-Oppenheimer diagonal correction (BODC) correction surface as well as a relativistic correction surface were also calculated. These surfaces were used to compute vibrational and rotational-vibrational energy levels up to 25 000 cm -1 which reproduce the extensive set of experimentally known HCN/HNC levels with a root-mean-square deviation σ = 1.5 cm -1 . We studied the effect of nonadiabatic effects by introducing opportune radial and angular corrections to the nuclear kinetic energy operator. Empirical determination of two nonadiabatic parameters results in observed energies up to 7000 cm -1 for four HCN isotopologues (HCN, DCN, H 13 CN, and HC 15 N) being reproduced with σ = 0.37 cm -1 . The height of the isomerization barrier, the isomerization energy and the dissociation energy were computed using a number of models; our best results are 16 809.4, 5312.8, and 43 729 cm -1 , respectively.

  7. Danish Energy Agency. Trial of electric cars - third stage. Possibilities and barriers for use of electric cars and symbiosis between electric cars, volatile wind energy and Smart Grid; Energistyrelsen. Forsoegsordning med el-biler - tredje runde. Muligheder og barrierer for anvendelse af el-biler og symbiose mellem el-biler, volatil vindenergi og Smart Grid

    Energy Technology Data Exchange (ETDEWEB)

    Buchwaldt-Nissen, S.; Thorsager Jakobsen, K.

    2011-06-15

    The aim of the study is to analyse the possibilities and barriers of using electric vehicles (EVs) by comparing Danish and other countries' EV prices and their components and by analysing the price development of the charging stations. Trends of business models for EVs are analysed and their life-time cost is compared. The symbiosis between EVs, volatile wind power and smart grid and the impact on the energy system is investigated. This is done by analysing driving and charging data from the trial started by the Danish Energy Agency, in order to identify the users' charging pattern. The charging pattern is coupled to data from the electric power market and EV market data to identify the value of intelligent EV fleet control and the integration potential of EVs in relation to usage of surplus volatile wind power in 2020. The results of the analyses show that if the EVs are not charged in an intelligent way, there is a risk that they have a negative effect on the power distribution grid at the time of day where the electricity consumption is the highest. Unintelligent charging means that the EVs start charging immediately when connected to the charger. Intelligent charging means Smart Grid, where the vehicles are charged at times of the day when the power demand is low and when power is produced by e.g. wind power plants. The report also concludes that, although EVs are exempt from levies in Denmark, EVs are still expensive compared to petrol and diesel cars and EVs in other countries. This is a barrier against a market penetration in Denmark. (LN)

  8. Improving photoelectrochemical performance on quantum dots co-sensitized TiO{sub 2} nanotube arrays using ZnO energy barrier by atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Min [Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228 (China); Zeng, Xi [College of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming, 650500 (China); Peng, Xiange; Zhu, Zhuo; Liao, Jianjun; Liu, Kai; Wang, Guizhen [Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228 (China); Lin, Shiwei, E-mail: linsw@hainu.edu.cn [Key Laboratory of Ministry of Education for Advanced Materials in Tropical Island Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228 (China)

    2016-12-01

    Graphical abstract: - Highlights: • The length of TNTAs has a balance between the charge recombination and the QDs loading. • The introduction of ZnO interlayer by ALD could improve the QDs absorption. • The optimal thickness of ZnO interlayer is 1.5 nm prepared by 10 cycles ALD. - Abstract: PbS and CdS quantum dots (QDs) have been deposited onto TiO{sub 2} nanotube arrays (TNTAs) in turn via a sonication-assisted successive ionic layer adsorption and reaction method. This method could uniformly decorate TNTAs with QDs, avoiding QDs aggregation at the mouth of TiO{sub 2} nanotube. The loading amounts of QDs on TNTAs could be controlled by adjusting the TNTAs length. Under one sun illumination, the QDs co-sensitized TNTAs (TNTAs/QDs) with the length of about 2.4 μm displayed the highest photocurrent of 4.32 mA cm{sup −2}, which is 27 times higher than that of the bare TNTAs. Introduction of a thin ZnO energy barrier by atomic layer deposition (ALD) between the TNTAs and QDs can further improve the photocurrent of TNTAs/QDs. And the TNTAs/QDs with 10 ALD cycles of ZnO interlayer exhibits the highest photocurrent of 5.24 mA cm{sup −2} and best photoconversion efficiency of 4.9%, a more than 20% enhancement over the bare TNTAs/QDs. Such enhanced photoelectrochemical performance may be ascribed to the increased amounts of QDs on the TNTAs due to the introduction of ZnO interlayer. The benefits of ALD layers play a crucial role in development and optimization of high-performance photoelectrodes in the near future.

  9. PLGA nanoparticles prepared by nano-emulsion templating using low-energy methods as efficient nanocarriers for drug delivery across the blood-brain barrier.

    Science.gov (United States)

    Fornaguera, C; Dols-Perez, A; Calderó, G; García-Celma, M J; Camarasa, J; Solans, C

    2015-08-10

    Neurodegenerative diseases have an increased prevalence and incidence nowadays, mainly due to aging of the population. In addition, current treatments lack efficacy, mostly due to the presence of the blood-brain barrier (BBB) that limits the penetration of the drugs to the central nervous system. Therefore, novel drug delivery systems are required. Polymeric nanoparticles have been reported to be appropriate for this purpose. Specifically, the use of poly-(lactic-co-glycolic acid) (PLGA) seems to be advantageous due to its biocompatibility and biodegradability that ensure safe therapies. In this work, a novel approximation to develop loperamide-loaded nanoparticles is presented: their preparation by nano-emulsion templating using a low-energy method (the phase inversion composition, PIC, method). This nano-emulsification approach is a simple and very versatile technology, which allows a precise size control and it can be performed at mild process conditions. Drug-loaded PLGA nanoparticles were obtained using safe components by solvent evaporation of template nano-emulsions. Characterization of PLGA nanoparticles was performed, together with the study of the BBB crossing. The in vivo results of measuring the analgesic effect using the hot-plate test evidenced that the designed PLGA loperamide-loaded nanoparticles are able to efficiently cross the BBB, with high crossing efficiencies when their surface is functionalized with an active targeting moiety (a monoclonal antibody against the transferrin receptor). These results, together with the nanoparticle characterization performed here are expected to provide sufficient evidences to end up to clinical trials in the near future. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Gold(I)-catalyzed Claisen rearrangement of allenyl vinyl ethers: missing transition states revealed through evolution of aromaticity, Au(I) as an oxophilic Lewis acid, and lower energy barriers from a high energy complex.

    Science.gov (United States)

    Vidhani, Dinesh V; Cran, John W; Krafft, Marie E; Manoharan, Mariappan; Alabugin, Igor V

    2013-03-01

    Curtin-Hammett analysis of four alternative mechanisms of the gold(I)-catalyzed [3,3] sigmatropic rearrangement of allenyl vinyl ethers by density functional theory calculations reveals that the lowest energy pathway (cation-accelerated oxonia Claisen rearrangement) originates from the second most stable of the four Au(I)-substrate complexes in which gold(I) coordinates to the lone pair of oxygen. This pathway proceeds via a dissociative transition state where the C-O bond cleavage precedes C1-C6 bond formation. The alternative Au(I) coordination at the vinyl π-system produces a more stable but less reactive complex. The two least stable modes of coordination at the allenyl π-system display reactivity that is intermediate between that of the Au(I)-oxygen and the Au(I)-vinyl ether complexes. The unusual electronic features of the four potential energy surfaces (PESs) associated with the four possible mechanisms were probed with intrinsic reaction coordinate calculations in conjunction with nucleus independent chemical shift (NICS(0)) evaluation of aromaticity of the transient structures. The development of aromatic character along the "6-endo" reaction path is modulated via Au-complexation to the extent where both the cyclic intermediate and the associated fragmentation transition state do not correspond to stationary points at the reaction potential energy surface. This analysis explains why the calculated PES for cyclization promoted by coordination of gold(I) to allenyl moiety lacks a discernible intermediate despite proceeding via a highly asynchronous transition state with characteristics of a stepwise "cyclization-mediated" process. Although reaction barriers can be strongly modified by aryl substituents of varying electronic demand, direct comparison of experimental and computational substituent effects is complicated by formation of Au-complexes with the Lewis-basic sites of the substrates.

  11. Isovector rotational model

    Energy Technology Data Exchange (ETDEWEB)

    Nojarov, R. (Inst. fuer Theoretische Physik, Univ. Tuebingen (Germany))

    1994-04-18

    The explicit form of the canonical angle operator is found and the isovector rotor is quantized in canonical relative variables ensuring the exact separation of the spurious mode. The main characteristics of the resulting joint mode, together with the low- and high-frequency parts of the split mode are obtained. It is found that the isovector rotational mode exhausts all the non-spurious M1 strength at low and high energy, providing a strong support for the interpretation of all the orbital 1[sup +] excitations as a scissors mode. Self-consistent residual interactions do not change the non-spurious restoring force of the deformed potential. Simple numerical estimates, derived from a schematic deformed oscillator, are in a good qualitative agreement with microscopic RPA results. Relationships with the results of the two-rotor model and the microscopic realization of the scissors state are established. (orig.)

  12. Trans-cranial opening of the blood-brain barrier in targeted regions using a stereotaxic brain atlas and focused ultrasound energy.

    Science.gov (United States)

    Bing, Chenchen; Ladouceur-Wodzak, Michelle; Wanner, Clinton R; Shelton, John M; Richardson, James A; Chopra, Rajiv

    2014-01-01

    The blood-brain barrier (BBB) protects the brain by preventing the entry of large molecules; this poses a major obstacle for the delivery of drugs to the brain. A novel technique using focused ultrasound (FUS) energy combined with microbubble contrast agents has been widely used for non-invasive trans-cranial BBB opening. Traditionally, FUS research is conducted with magnetic resonance imaging (MRI) guidance, which is expensive and poses physical limitations due to the magnetic field. A system that could allow researchers to test brain therapies without MR intervention could facilitate and accelerate translational research. In this study, we present a novel FUS system that uses a custom-built FUS generator mounted on a motorized stereotaxic apparatus with embedded brain atlas to locally open the BBB in rodents. The system was initially characterized using a tissue-mimicking phantom. Rodent studies were also performed to evaluate whether non-invasive, localized BBB opening could be achieved using brain atlas-based targeting. Brains were exposed to pulsed focused ultrasound energy at 1.06 MHz in rats and 3.23 MHz in mice, with the focal pressure estimated to be 0.5-0.6 MPa through the skull. BBB opening was confirmed in gross tissue sections by the presence of Evans blue leakage in the exposed region of the brain and by histological assessment. The targeting accuracy of the stereotaxic system was better than 0.5 mm in the tissue-mimicking phantom. Reproducible localized BBB opening was verified with Evans blue dye leakage in 32/33 rats and had a targeting accuracy of ±0.3 mm. The use of higher frequency exposures in mice enabled a similar precision of localized BBB opening as was observed with the low frequency in the rat model. With this dedicated small-animal motorized stereotaxic-FUS system, we achieved accurate targeting of focused ultrasound exposures in the brain for non-invasive opening of the BBB. This system can be used as an alternative to MR

  13. Rotational Preference in Gymnastics

    National Research Council Canada - National Science Library

    Heinen, Thomas; Jeraj, Damian; Vinken, Pia M; Velentzas, Konstantinos

    2012-01-01

    In gymnastics, most skills incorporate rotations about one or more body axes. At present, the question remains open if factors such as lateral preference and/or vestibulo-spinal asymmetry are related to gymnast's rotational preference...

  14. On Averaging Rotations

    DEFF Research Database (Denmark)

    Gramkow, Claus

    1999-01-01

    In this article two common approaches to averaging rotations are compared to a more advanced approach based on a Riemannian metric. Very offten the barycenter of the quaternions or matrices that represent the rotations are used as an estimate of the mean. These methods neglect that rotations belong...... approximations to the Riemannian metric, and that the subsequent corrections are inherient in the least squares estimation. Keywords: averaging rotations, Riemannian metric, matrix, quaternion...

  15. X-Raying the Beating Heart of a Newborn Star: Rotational Modulation of High-Energy Radiation from V1647 Ori

    Science.gov (United States)

    Hamaguchi, Kenji; Grosso, Nicolas; Kastner, Joel H.; Weintraub, David A.; Richmond, Michael; Petre, Robert; Teets, William K.; Principe, David

    2012-01-01

    We report a periodicity of approx.1 day in the highly elevated X-ray emission from the protostar V1647 Ori during its two recent multiple-year outbursts of mass accretion. This periodicity is indicative of protostellar rotation at near-breakup speed. Modeling of the phased X-ray light curve indicates the high-temperature ( 50 MK), X-ray-emitting plasma, which is most likely heated by accretion-induced magnetic reconnection, resides in dense ( 5 1010 cm.3), pancake-shaped magnetic footprints where the accretion stream feeds the newborn star. The sustained X-ray periodicity of V1647 Ori demonstrates that such protostellar magnetospheric accretion configurations can be stable over timescales of years. Subject headings: stars: formation stars: individual (V1647 Ori) stars: pre-main sequence X-rays: stars

  16. Diagnosing collisions of magnetized, high energy density plasma flows using a combination of collective Thomson scattering, Faraday rotation, and interferometry (invited)

    Energy Technology Data Exchange (ETDEWEB)

    Swadling, G. F., E-mail: swadling@imperial.ac.uk; Lebedev, S. V.; Hall, G. N.; Patankar, S.; Stewart, N. H.; Smith, R. A.; Burdiak, G. C.; Grouchy, P. de; Skidmore, J.; Suttle, L.; Suzuki-Vidal, F.; Bland, S. N.; Kwek, K. H.; Pickworth, L.; Bennett, M.; Hare, J. D. [Plasma Physics Group, Imperial College, London SW6 7LZ (United Kingdom); Harvey-Thompson, A. J. [Sandia National Laboratory, Albuquerque, New Mexico 87185-1193 (United States); Rozmus, W. [Department of Physics, University of Alberta, Edmonton, Alberta T6G 2J1 (Canada); Yuan, J. [Key Laboratory of Pulsed Power, Institute of Fluid Physics, CAE, Mianyang 621900 (China)

    2014-11-15

    A suite of laser based diagnostics is used to study interactions of magnetised, supersonic, radiatively cooled plasma flows produced using the Magpie pulse power generator (1.4 MA, 240 ns rise time). Collective optical Thomson scattering measures the time-resolved local flow velocity and temperature across 7–14 spatial positions. The scattering spectrum is recorded from multiple directions, allowing more accurate reconstruction of the flow velocity vectors. The areal electron density is measured using 2D interferometry; optimisation and analysis are discussed. The Faraday rotation diagnostic, operating at 1053 nm, measures the magnetic field distribution in the plasma. Measurements obtained simultaneously by these diagnostics are used to constrain analysis, increasing the accuracy of interpretation.

  17. Molecular structures of two metal tetrakis(tetrahydroborates), Zr(BH4)(4) and U(BH4)(4): equilibrium conformations and barriers to internal rotation of the triply bridging BH4 groups.

    Science.gov (United States)

    Haaland, Arne; Shorokhov, Dmitry J; Tutukin, Andrey V; Volden, Hans Vidar; Swang, Ole; McGrady, G Sean; Kaltsoyannis, Nikolas; Downs, Anthony J; Tang, Christina Y; Turner, John F C

    2002-12-16

    The molecular structures of Zr[(mu-H)(3)BH](4) and U[(mu-H)(3)BH](4) have been investigated by density functional theory (DFT) calculations and gas electron diffraction (GED). The triply bridged bonding mode of the tetrahydroborate groups in the former is confirmed, but both DFT calculations and GED structure refinements indicate that the BH(4) groups are rotated some 12 degrees away from the orientation in which the three bridging B-H bonds are staggered with respect to the opposing ZrB(3) fragment. As a result the symmetry of the equilibrium conformation is reduced from T(d) to T. Bond distances and valence angles are as follows (DFT/GED): Zr-B = 232.2/232.4(5) pm; Zr-H(b) = 214.8/214.4(6) pm; B-H(b) = 125.3/127.8(8) pm; B-H(t) = 119.4/118.8(17) pm; angle ZrBH(b) = 66.2/65.6(3) degrees; the smallest dihedral angle of type tau(BZrBH(b)) = 48/45(2) degrees. DFT calculations on Hf(BH(4))(4) indicate that the structure of this molecule is very similar to that of the Zr analogue. Matrix-isolation IR spectroscopy and DFT calculations on U(BH(4))(4) show that while the polymeric solid-state structure is characterized by terminal triply bridging and metal-metal bridging bidentate BH(4) groups, all BH(4) groups are triply bridging in the gaseous monomer. Calculations with one of the two nonbonding 5f electrons on U occupying an a(1) and the other distributed equally among the three t(2) orbitals indicate that the equilibrium conformation has T(d) symmetry, i.e. that the three B-H(b) bonds of each tetrahydroborate group are exactly staggered with respect to the opposing UB(3) fragment with tau(BUBH(b)) = 60 degrees. Calculations including spin-orbit interactions indicate that Jahn-Teller distortions from T(d) symmetry are either absent or very small. The best agreement between observed and calculated GED intensity data was obtained for a model of T(d) symmetry, but models of T symmetry with dihedral angles tau(BUBH(b)) > 42 degrees cannot be ruled out. Bond distances and

  18. Galaxy cluster's rotation

    Science.gov (United States)

    Manolopoulou, M.; Plionis, M.

    2017-03-01

    We study the possible rotation of cluster galaxies, developing, testing, and applying a novel algorithm which identifies rotation, if such does exist, as well as its rotational centre, its axis orientation, rotational velocity amplitude, and, finally, the clockwise or counterclockwise direction of rotation on the plane of the sky. To validate our algorithms we construct realistic Monte Carlo mock rotating clusters and confirm that our method provides robust indications of rotation. We then apply our methodology on a sample of Abell clusters with z ≲ 0.1 with member galaxies selected from the Sloan Digital Sky Survey DR10 spectroscopic data base. After excluding a number of substructured clusters, which could provide erroneous indications of rotation, and taking into account the expected fraction of misidentified coherent substructure velocities for rotation, provided by our Monte Carlo simulation analysis, we find that ∼23 per cent of our clusters are rotating under a set of strict criteria. Loosening the strictness of the criteria, on the expense of introducing spurious rotation indications, we find this fraction increasing to ∼28 per cent. We correlate our rotation indicators with the cluster dynamical state, provided either by their Bautz-Morgan type or by their X-ray isophotal shape and find for those clusters showing rotation within 1.5 h^{-1}_{70} Mpc that the significance of their rotation is related to the dynamically younger phases of cluster formation but after the initial anisotropic accretion and merging has been completed. Finally, finding rotational modes in galaxy clusters could lead to the necessity of correcting the dynamical cluster mass calculations.

  19. Nature of "superluminal" barrier tunneling.

    Science.gov (United States)

    Winful, Herbert G

    2003-01-17

    We show that the distortionless tunneling of electromagnetic pulses through a barrier is a quasistatic process in which the slowly varying envelope of the incident pulse modulates the amplitude of a standing wave. For pulses longer than the barrier width, the barrier acts as a lumped element with respect to the pulse envelope. The envelopes of the transmitted and reflected fields can adiabatically follow the incident pulse with only a small delay that originates from energy storage. The theory presented here provides a physical explanation of the tunneling process and resolves the mystery of apparent superluminality.

  20. Energy

    CERN Document Server

    Graybill, George

    2007-01-01

    Unlock the mysteries of energy! Energy is more than ""the ability to do work""; we present these concepts in a way that makes them more accessible to students and easier to understand. The best way to understand energy is to first look at all the different kinds of energy including: What Is Energy, Mechanical Energy, Thermal, Sound Energy and Waves, as well as Light Energy.

  1. Rotating Stars in Relativity

    Directory of Open Access Journals (Sweden)

    Stergioulas Nikolaos

    2003-01-01

    Full Text Available Rotating relativistic stars have been studied extensively in recent years, both theoretically and observationally, because of the information they might yield about the equation of state of matter at extremely high densities and because they are considered to be promising sources of gravitational waves. The latest theoretical understanding of rotating stars in relativity is reviewed in this updated article. The sections on the equilibrium properties and on the nonaxisymmetric instabilities in f-modes and r-modes have been updated and several new sections have been added on analytic solutions for the exterior spacetime, rotating stars in LMXBs, rotating strange stars, and on rotating stars in numerical relativity.

  2. 'Coronae' of rotating interstellar clouds

    Science.gov (United States)

    Rosner, R.; Hartquist, T. W.

    1979-01-01

    This letter considers differential rotation of cool interstellar clouds in the presence of internal magnetic fields, and shows that because of the relative ineffectiveness of field dissipation within the clouds, magnetized gas experiences buoyant forces. The resulting field loops emerge from the cloud and dissipate their energy by field reconnection. The consequent heating is sufficient to produce relatively hot (T approximately 10,000 K) 'coronae' about the clouds.

  3. Nonlinear Zel'dovich Effect: Parametric Amplification from Medium Rotation

    Science.gov (United States)

    Faccio, Daniele; Wright, Ewan M.

    2017-03-01

    The interaction of light with rotating media has attracted recent interest for both fundamental and applied studies including rotational Doppler shift measurements. It is also possible to obtain amplification through the scattering of light with orbital angular momentum from a rotating and absorbing cylinder, as proposed by Zel'dovich more than forty years ago. This amplification mechanism has never been observed experimentally yet has connections to other fields such as Penrose superradiance in rotating black holes. Here we propose a nonlinear optics system whereby incident light carrying orbital angular momentum drives parametric interaction in a rotating medium. The crystal rotation is shown to take the phase-mismatched parametric interaction with negligible energy exchange at zero rotation to amplification for sufficiently large rotation rates. The amplification is shown to result from breaking of anti-P T symmetry induced by the medium rotation.

  4. The spatial rotator

    DEFF Research Database (Denmark)

    Rasmusson, Allan; Hahn, Ute; Larsen, Jytte Overgaard

    2013-01-01

    This paper presents a new local volume estimator, the spatial rotator, which is based on measurements on a virtual 3D probe, using computer assisted microscopy. The basic design of the probe builds upon the rotator principle which requires only a few manual intersection markings, thus making...... the spatial rotator fast to use. Since a 3D probe is involved, it is expected that the spatial rotator will be more efficient than the the nucleator and the planar rotator, which are based on measurements in a single plane. An extensive simulation study shows that the spatial rotator may be more efficient...... than the traditional local volume estimators. Furthermore, the spatial rotator can be seen as a further development of the Cavalieri estimator, which does not require randomization of sectioning or viewing direction. The tissue may thus be sectioned in any arbitrary direction, making it easy...

  5. Theoretical investigations of the thermochemistry, structures, and internal rotation of conjugated polyynes

    Science.gov (United States)

    Jarowski, Peter D.

    isodesmic equations with CBS-RAD data and also with the block localized wavefunction (BLW) method. The new estimates give essentially the same vinyl (22.3 kcal/mol) and ethynyl (21.9 kcal/mol) stabilization energies in the allyl and propargyl radicals, contrary to conventional evaluations. Likewise, the vinyl and ethynyl stabilizations in di-substituted and tri-substituted radicals are similar. These conclusions are corroborated with the block localized wavefunction (BLW) method, which is used to analyze resonance stabilization energies in the radical systems and hyperconjugative stabilization energies in the reference hydrocarbons. Chapter 3 presents the structures, heats of formation, and strain energies of diacetylene (buta-1,3-diynediyl) expanded molecules computed with ab initio and molecular mechanics calculations. Expanded cubane, prismane, tetrahedrane, and expanded monocyclics and bicyclics were optimized at the HF/6-31G(d) and B3LYP/6-31G(d) levels. The heats of formation of these systems were obtained from isodesmic equations at the HF/6-31G(d) level. Heats of formation were also calculated from Benson group equivalents. The strain energies of these expanded molecules were estimated by several independent methods. An adapted MM3* molecular mechanics force field, specifically parameterized to treat conjugated acetylene units, was employed for one measure of strain energy and as an additional method for structural analysis. Expanded dodecahedrane and icosahedrane were calculated by this method. Expanded molecules were considered structurally in the context of their potential material applications. Chapter 4 addresses the computation of the rotational barriers of substituted ethynlene and butatriene as well as their geometric and electronic structures. The barriers to internal rotation of methylated, ethynylated, and vinylated butatrienes and alkenes were calculated at the CASPT2/6-31G(d)//B3LYP/6-31G(d) level. Calculated butatriene rotational barriers are lower

  6. Properties of relativistically rotating quark stars

    Science.gov (United States)

    Zhou, Enping

    2017-06-01

    In this work, quasi-equilibrium models of rapidly rotating triaxially deformed quark stars are computed in general relativistic gravity, assuming a conformally flat spatial geometry (Isenberg-Wilson-Mathews formulation) and a polynomial equation of state. Especially, since we are using a full 3-D numerical relativity initial data code, we are able to consider the triaxially deformed rotating quark stars at very high spins. Such triaxially deformed stars are possible gravitational radiation sources detectable by ground based gravitational wave observatories. Additionally, the bifurcation from axisymmetric rotating sequence to triaxially rotating sequence hints a more realistic spin up limit for rotating compact stars compared with the mass-shedding limit. With future observations such as sub-millisecond pulsars, we could possibly distinguish between equation of states of compact stars, thus better understanding strong interaction in the low energy regime.

  7. Accurate vibrational-rotational partition functions and standard-state free energy values for H2O2 from Monte Carlo path-integral calculations.

    Science.gov (United States)

    Lynch, Vanessa Audette; Mielke, Steven L; Truhlar, Donald G

    2004-09-15

    Accurate quantum mechanical partition functions and absolute free energies of H(2)O(2) are determined using a realistic potential energy surface [J. Koput, S. Carter, and N. C. Handy, J. Phys. Chem. A 102, 6325 (1998)] for temperatures ranging from 300 to 2,400 K by using Monte Carlo path integral calculations with new, efficient polyatomic importance sampling methods. The path centroids are sampled in Jacobi coordinates via a set of independent ziggurat schemes. The calculations employed enhanced-same-path extrapolation of trapezoidal Trotter Fourier path integrals, and the paths were constructed using fast Fourier sine transforms. Importance sampling was also used in Fourier coefficient space, and adaptively optimized stratified sampling was used in configuration space. The free energy values obtained from the path-integral calculations are compared to separable-mode approximations, to the Pitzer-Gwinn approximation, and to values in thermodynamic tables. Our calculations support the recently proposed revisions to the JANAF tables.

  8. Wave-particle Interactions In Rotating Mirrors

    Energy Technology Data Exchange (ETDEWEB)

    Abraham J. Fetterman and Nathaniel J. Fisch

    2011-01-11

    Wave-particle interactions in E×B rotating plasmas feature an unusual effect: particles are diffused by waves in both potential energy and kinetic energy. This wave-particle interaction generalizes the alpha channeling effect, in which radio frequency waves are used to remove alpha particles collisionlessly at low energy. In rotating plasmas, the alpha particles may be removed at low energy through the loss cone, and the energy lost may be transferred to the radial electric field. This eliminates the need for electrodes in the mirror throat, which have presented serious technical issues in past rotating plasma devices. A particularly simple way to achieve this effect is to use a high azimuthal mode number perturbation on the magnetic field. Rotation can also be sustained by waves in plasmas without a kinetic energy source. This type of wave has been considered for plasma centrifuges used for isotope separation. Energy may also be transferred from the electric field to particles or waves, which may be useful for ion heating and energy generation.

  9. Farm-gate budget of energy crops: an experiment to assess changes in GHGs balance due to a land use change from grassland to short rotation coppice of poplar

    Science.gov (United States)

    Sabbatini, S.; Arriga, N.; Baiocco, A.; Boschi, A.; Castaldi, S.; Consalvo, C.; Gioli, B.; Matteucci, G.; Tomassucci, M.; Zaldei, A.; Papale, D.

    2012-04-01

    Over the last decades the rising in the prices of oil pushed many farmers all over the Europe to exploit part of their fields to produce biomass for energy. Government funding promoted this trend in order to contrast global warming and Green-House Gases (GHG) emissions. Nevertheless energy crops entail, in addition to a land use change, a sum of treatments that leads again to emissions of GHG. In the context of the GHG-Europe FP7 project we set-up an experiment to study a case of land use change from grassland to Short Rotation Coppice (SRC) of poplar clones in central Italy. Through the Eddy Covariance (EC) technique, we measure carbon and energy fluxes over two different poplar SRC with different ages, and over a reference site (grassland) representing the original land use. Furthermore, we measured additional fluxes such as soil respiration, CH4 and N2O fluxes using chambers. To compute the Farm-Gate Budget (FGB) of both the grassland and the poplar plantations, we collect also additional data that contribute to GHG budget such as management (tillage, fertilizations, irrigations, harvesting) and disturbances. In this poster we present the experiment set-up and the first results resulting from the measurements.

  10. Analysis of counter-rotating wind turbines

    DEFF Research Database (Denmark)

    Shen, Wen Zhong; Zakkam, Vinod Arun Kumar; Sørensen, Jens Nørkær

    2007-01-01

    -Stokes code EllipSys3D. The analysis shows that the Annual Energy Production can be increased to about 43.5 %, as compared to a wind turbine with a single rotor. In order to determine the optimal settings of the CRWT turbine, parameters such as distance between two rotors and rotational speed have been......This paper presents a study on the performance of a wind turbine with two counter-rotating (CRWT) rotors. The characteristics of the two counter-rotating rotors are on a 3-bladed Nordtank 500 kW rotor. The analysis has been carried out by using an Actuator Line technique implemented in the Navier...

  11. GaN Schottky diodes with single-crystal aluminum barriers grown by plasma-assisted molecular beam epitaxy

    Science.gov (United States)

    Tseng, H. Y.; Yang, W. C.; Lee, P. Y.; Lin, C. W.; Cheng, Kai-Yuan; Hsieh, K. C.; Cheng, K. Y.; Hsu, C.-H.

    2016-08-01

    GaN-based Schottky barrier diodes (SBDs) with single-crystal Al barriers grown by plasma-assisted molecular beam epitaxy are fabricated. Examined using in-situ reflection high-energy electron diffractions, ex-situ high-resolution x-ray diffractions, and high-resolution transmission electron microscopy, it is determined that epitaxial Al grows with its [111] axis coincident with the [0001] axis of the GaN substrate without rotation. In fabricated SBDs, a 0.2 V barrier height enhancement and 2 orders of magnitude reduction in leakage current are observed in single crystal Al/GaN SBDs compared to conventional thermal deposited Al/GaN SBDs. The strain induced piezoelectric field is determined to be the major source of the observed device performance enhancements.

  12. IMPORTANCE OF PREDECESSORS IN MODERN CROP ROTATION

    Directory of Open Access Journals (Sweden)

    Gavrail Kundurdzhiev

    2016-06-01

    Full Text Available The paper examines the peculiarities of modern systems of field crop rotations. A review is made of the criteria for selecting the precursors for basic cereals in arable crop rotations in Bulgaria. It reflects the results of years of comparative field trials with different combinations of factors - genotype-fertilization-predecessor. Conclusions are made on the impact of the predecessor on the energy productivity of crops.

  13. Conformational preferences and internal rotation of methyl butyrate by microwave spectroscopy

    Science.gov (United States)

    Hernandez-Castillo, Alicia O.; Abeysekera, Chamara; Hays, Brian M.; Kleiner, Isabelle; Nguyen, Ha Vinh Lam; Zwier, Timothy S.

    2017-07-01

    The broadband rotational spectrum of methyl butyrate from 8 to 18 GHz, recorded using a chirp-pulsed Fourier transform microwave (FTMW) spectrometer, was combined with high resolution FTMW measurements over the 2-26.5 GHz region to provide a comprehensive account of its microwave spectrum under jet-cooled conditions. Two low-energy conformers, one with a fully extended, heavy-atom planar anti/anti structure (a, a), and the other with a gauche propyl chain (g±, a), were assigned in the spectrum. Torsional A/E splittings due to the internal rotation of the methoxy methyl group were resolved for both lower energy conformers, and were fitted using the program XIAM and BELGI, providing an estimate of the barrier to methyl internal rotation of V3 ≈ 420 cm-1. The conformational landscape of methyl butyrate occurs on a two-dimensional potential energy surface, which was mapped out by quantum chemical calculations at the B2PLYP-D3BJ/aug-cc-pVTZ level of theory. The low torsional barrier about the Csbnd C(dbnd O)O bond leads to collisional removal of population originally in the (a, g±) and (g±, g±) minima into the (a, a) and (g±, a) minima, respectively, during the cooling in the expansion. Analysis of experimental intensities in the spectrum provide percent populations downstream in the expansion of 41 ± 4% (a, a), and 59 ± 6% (g±, a).

  14. Smoothing turbulence-induced power fluctuations in large wind farms by optimal control of the rotating kinetic energy of the turbines

    Science.gov (United States)

    Meyers, Johan; De Rijcke, Simon; Driesen, Johan

    2014-06-01

    In the current study, we use a large-eddy simulation of a wind-farm boundary layer to generate the fluctuating wind fields that are observed at different turbines in the wind farm. Using these wind fields as inputs, we focus on the development of a benchmark framework in which we explore the trade-off between high energy extraction and low variability using optimal control of multiple turbines subject to a turbulent wind field. The controls variables that are optimized are the electric torque and the pitch angles of the individual turbines over time horizons of 10 minutes. Moreover, both optimal control of individual turbines and coordinated optimal control of groups of turbines are investigated. Optimal control results are presented in terms of Pareto fronts that show optimal trade-offs between energy extraction and power smoothing. We find that power variations can be significantly reduced with limited loss of extracted energy. Moreover, coordinated control can effectively reduce fluctuations over longer time scales. For instance, considering 24 optimally coordinated turbines, variability at a time scale of 50 seconds is reduced 4 times more than the normal statistical reduction of 24 uncoordinated turbines.

  15. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, Nick [Univ. of California, Berkeley, CA (United States)

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm-1 intermolecular vibration of the water dimer-d4. Each of the VRT subbands originate from Ka''=0 and terminate in either Ka'=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A' rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the Ka' quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a' symmetry, and the vibration is assigned as the v12 acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D2

  16. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, N.

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-d[sub 4]. Each of the VRT subbands originate from K[sub a][double prime]=0 and terminate in either K[sub a][prime]=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A[prime] rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K[sub a][prime] quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a[prime] symmetry, and the vibration is assigned as the [nu][sub 12] acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D[sub 2]O-DOH isotopomer.

  17. Energy

    CERN Document Server

    Foland, Andrew Dean

    2007-01-01

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

  18. Faraday rotation measure synthesis

    NARCIS (Netherlands)

    Brentjens, MA; de Bruyn, AG

    2005-01-01

    We extend the rotation measure work of Burn ( 1966, MNRAS, 133, 67) to the cases of limited sampling of lambda(2) space and non-constant emission spectra. We introduce the rotation measure transfer function (RMTF), which is an excellent predictor of n pi ambiguity problems with the lambda(2)

  19. Units of rotational information

    Science.gov (United States)

    Yang, Yuxiang; Chiribella, Giulio; Hu, Qinheping

    2017-12-01

    Entanglement in angular momentum degrees of freedom is a precious resource for quantum metrology and control. Here we study the conversions of this resource, focusing on Bell pairs of spin-J particles, where one particle is used to probe unknown rotations and the other particle is used as reference. When a large number of pairs are given, we show that every rotated spin-J Bell state can be reversibly converted into an equivalent number of rotated spin one-half Bell states, at a rate determined by the quantum Fisher information. This result provides the foundation for the definition of an elementary unit of information about rotations in space, which we call the Cartesian refbit. In the finite copy scenario, we design machines that approximately break down Bell states of higher spins into Cartesian refbits, as well as machines that approximately implement the inverse process. In addition, we establish a quantitative link between the conversion of Bell states and the simulation of unitary gates, showing that the fidelity of probabilistic state conversion provides upper and lower bounds on the fidelity of deterministic gate simulation. The result holds not only for rotation gates, but also to all sets of gates that form finite-dimensional representations of compact groups. For rotation gates, we show how rotations on a system of given spin can simulate rotations on a system of different spin.

  20. Deconstructing Mental Rotation

    DEFF Research Database (Denmark)

    Larsen, Axel

    2014-01-01

    A random walk model of the classical mental rotation task is explored in two experiments. By assuming that a mental rotation is repeated until sufficient evidence for a match/mismatch is obtained, the model accounts for the approximately linearly increasing reaction times (RTs) on positive trials...

  1. SMAP Faraday Rotation

    Science.gov (United States)

    Le Vine, David

    2016-01-01

    Faraday rotation is a change in the polarization as signal propagates through the ionosphere. At L-band it is necessary to correct for this change and measurements are made on the spacecraft of the rotation angle. These figures show that there is good agreement between the SMAP measurements (blue) and predictions based on models (red).

  2. Rotating stars in relativity.

    Science.gov (United States)

    Paschalidis, Vasileios; Stergioulas, Nikolaos

    2017-01-01

    Rotating relativistic stars have been studied extensively in recent years, both theoretically and observationally, because of the information they might yield about the equation of state of matter at extremely high densities and because they are considered to be promising sources of gravitational waves. The latest theoretical understanding of rotating stars in relativity is reviewed in this updated article. The sections on equilibrium properties and on nonaxisymmetric oscillations and instabilities in f -modes and r -modes have been updated. Several new sections have been added on equilibria in modified theories of gravity, approximate universal relationships, the one-arm spiral instability, on analytic solutions for the exterior spacetime, rotating stars in LMXBs, rotating strange stars, and on rotating stars in numerical relativity including both hydrodynamic and magnetohydrodynamic studies of these objects.

  3. Identification of Key Barriers in Workforce Development

    Energy Technology Data Exchange (ETDEWEB)

    None

    2008-03-31

    This report documents the identification of key barriers in the development of an adequate national security workforce as part of the National Security Preparedness Project, being performed under a Department of Energy/National Nuclear Security Administration grant. Many barriers exist that prevent the development of an adequate number of propertly trained national security personnel. Some barriers can be eliminated in a short-term manner, whereas others will involve a long-term strategy that takes into account public policy.

  4. A ``WET Dog" Tunneling Motion as the Cause for the Doubled Rotational Spectrum of 1-IodononaFluorobutane

    Science.gov (United States)

    Bailey, W. C.; Bohn, R. K.; Grubbs, G. S. Grubbs, Ii; Kisiel, Z.; Cooke, S. A.

    2013-06-01

    A chirped pulse Fourier transform microwave spectrometer has been used to record the rotational spectra of 1-iodononafluorobutane between 8 GHz and 12 GHz. The target compound was spectroscopically examined as it participated in a supersonic expansion of argon. The spectra recorded are dense owing in part to the small rotational constants, B + C ≈ 480 MHz, but also to hyperfine structure generated by the coupling of angular momenta of the iodine nucleus and the rotating molecular frame, e.g. mid χ_{ab} mid ≈ 1200 MHz. Notably all of the hyperfine components were observed as doublets. It is postulated that this doubling effect is the result of a low barrier, double minimum potential between two mirror image transoid structures. The tunneling motion between these structures resembles that of a ``wet dog" shaking itself dry. Numerous transitions are shifted in frequency and it is proposed that the density of rotational energy levels from the two interacting states results in numerous perturbations to the energy levels involved. A preliminary spectral analysis of over 400 transitions will be presented, along with the results of supporting quantum mechanical calculations.

  5. Predicting superdeformed rotational band-head spin in A ∼ 190 ...

    Indian Academy of Sciences (India)

    Abstract. The band-head spin (I0) of superdeformed (SD) rotational bands in A ∼ 190 mass region is predicted using the variable moment of inertia (VMI) model for 66 SD rotational bands. The superdeformed rotational bands exhibited considerably good rotational property and rigid behaviour. The transition energies were ...

  6. The Synergistic Effect of Thermal Collectors Rotation in relation to Their Energy Efficiency and Stagnation Compared with the Static Thermal System in the Conditions of Central Europe

    Directory of Open Access Journals (Sweden)

    Miroslav Rimar

    2015-01-01

    Full Text Available The presented paper deals with the issue of the efficient use of solar energy potential gained from thermal panels via tracking the Sun’s trajectory. Based on long-term measurements of the selected parameters, the efficiency of the installed system in relation to the ecliptic was evaluated in the static regime as well as in a rotary regime. In the comparison of rotary and fixed system of the collectors the presented results show an increase of the effectiveness of rotary one during the period of the day. On closer view the increase is not constant. During the day it varies: the most significant increase is in the afternoon, while the time from 10:30 a.m. to 1:00 p.m. the effectiveness of both systems almost identical. The utilisation of the rotary system as a suitable instrument for the elimination of the system stagnation was also evaluated.

  7. Two-step cultivation for production of astaxanthin in Chlorella zofingiensis using a patented energy-free rotating floating photobioreactor (RFP).

    Science.gov (United States)

    Zhang, Zhao; Huang, Jim Junhui; Sun, Dongzhe; Lee, Yuankun; Chen, Feng

    2017-01-01

    In the present study, high light and nitrogen starvation with glucose-fed to the culture was found efficient to induce astaxanthin accumulation in Chlorella zofingiensis. Therefore, a two-step cultivation strategy including high biomass yield fermentation and outdoor induction with an energy-free RFP was conducted. During the fermentation, the highest cell density of 98.4gL(-1) and astaxanthin yield of 73.3mgL(-1) were achieved, which were higher than those so far reported in C. zofingiensis. During the outdoor induction, astaxanthin content was further increased by 1.5-fold leading to the highest astaxanthin productivity of 5.26mgL(-1)day(-1) under an optimal dilution of 5-fold. Our work thus provided an effective two-step cultivation strategy for production of astaxanthin by C. zofingiensis. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. Conformational Preferences and Internal Rotation in Alkyl- and Phenyl-Substituted Thiourea Derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Bryantsev, Vyacheslav; Hay, Benjamin P.

    2006-04-13

    Potential energy surfaces (PES) for rotation about the N-C(sp3) or N-C(aryl) bond and energies of stationary points on PES for rotation about the C(sp2)-N bond are reported for methylthiourea, ethylthiourea, isopropylthiourea, t-butylthiourea, and phenylurea, using the MP2/aug-cc-pVDZ method. Analysis of alkylthioureas shows that conformations, with alkyl groups cis to the sulfur atom are more stable (by 0.4 to 1.5 kcal/mol) than the trans forms. All minima adopt anti configurations with respect to nitrogen pyramidalization, whereas syn configurations are not stationary points on the MP2 potential surface. In contrast, analysis of phenylthiourea reveals that a trans isomer in a syn geometry is the global minimum, whereas a cis isomer in an anti geometry is a local minimum with a relative energy of 2.7 kcal/mol. Rotation about the C(sp2)-N bond in alkyl and phenyl thioureas is slightly more hindered (9.1-10.2 kcal/mol) than the analogous motion in the unsubstituted molecule (8.6 kcal/mol). The maximum barriers to rotation for the methyl, ethyl, isopropyl, t-butyl and phenyl substituents are predicted to be 1.2, 8.9, 8.6, 5.3, and 0.9 kcal/mol, respectively. Corresponding PESs are consistent with the experimental dihedral angle distribution observed in crystal structures. The results of the electronic structure calculations are used to benchmark the performance of the MMFF94 force field. Systematic discrepancies between MMFF94 and MP2 results were improved by modification of selected torsion parameters and one of the van der Waals parameters for sulfur.

  9. Stability analysis of a power system made up of an intermittent renewable energy source directly tied to a conventional rotating power generator; Analisi della stabilita` di un sistema di generazione di elettricita` costituito da un generatore rotativo convenzionale e una fonte rinnovabile intermittente

    Energy Technology Data Exchange (ETDEWEB)

    Coiante, D. [ENEA, Centro Ricerche Casaccia, Rome (Italy)

    1997-02-01

    A simple power system made up of a conventional rotating power generator in direct connection to an intermittent renewable energy source (with energy or photovoltaic) is modelled on the base of respective functional schemes. The relative variations of the voltage frequency are calculated as an output to an abrupt variation of intermittent tied power and in function of electro-mechanical parameters of the rotating generator (dumping coefficient and inertial rotor coefficient). The stability conditions and the tolerance allowed on the frequency variations are considered in relation to toad service requires. As a consequence, the maximum intermittent power amount, which can be accepted in direct connection, is obtained. For usual conventional rotating machines, the resulting limit is placed in the range of (12-19)% of nominal capacity of power generator.

  10. Insight into shock-induced chemical reaction from the perspective of ring strain and rotation of chemical bonds.

    Science.gov (United States)

    Tan, Bisheng; Long, Xinping; Li, Jinshan; Nie, Fude; Huang, Jinglun

    2012-12-01

    Density functional theory BLYP/DNP and hyperhomodesmotic equations were employed to calculate ring strain energy, the bond dissociation energy of X-NO(2) (X=C, N) and the charges on the nitro groups of several four-membered and six-membered heterocycle compounds. BLYP/DNP and LST/QST + CG method were also applied to calculate bond rotational energy of X-NO(2) (X=C, N) of above mentioned compounds. It indicated that ring strain energy of four-membered heterocycle nitro compounds is apparently higher than that of six-membered heterocycle nitro compounds. Predictably, ring-opening reactions may preferentially occur for those compounds containing higher ring strain energy under shock. In addition, C-NO(2) bonds in these compounds may rotate easier than N-NO(2) bonds in response to the external shock. As for N-NO(2) bonds in these compounds, they also respond to the external shock by the rotation of N-NO(2) bonds, once to the saddle point of the rotational energy barrier, the whole molecule will become relaxed, N-NO(2) bond becomes weaker and eventually leads to the breakage. When one -C=O, -C=NH or -NH(2) group is introduced to the six-membered heterocycle, the charges on the nitro groups of the new compound decrease drastically, and ring strains increase remarkably. It can be predicted that the new compounds will be more sensitive to shock, and the viewpoint is confirmed by the experimental results of shock sensitivity (small scale gap test) of several explosives.

  11. Rapidly rotating red giants

    Science.gov (United States)

    Gehan, Charlotte; Mosser, Benoît; Michel, Eric

    2017-10-01

    Stellar oscillations give seismic information on the internal properties of stars. Red giants are targets of interest since they present mixed modes, wich behave as pressure modes in the convective envelope and as gravity modes in the radiative core. Mixed modes thus directly probe red giant cores, and allow in particular the study of their mean core rotation. The high-quality data obtained by CoRoT and Kepler satellites represent an unprecedented perspective to obtain thousands of measurements of red giant core rotation, in order to improve our understanding of stellar physics in deep stellar interiors. We developed an automated method to obtain such core rotation measurements and validated it for stars on the red giant branch. In this work, we particularly focus on the specific application of this method to red giants having a rapid core rotation. They show complex spectra where it is tricky to disentangle rotational splittings from mixed-mode period spacings. We demonstrate that the method based on the identification of mode crossings is precise and efficient. The determination of the mean core rotation directly derives from the precise measurement of the asymptotic period spacing ΔΠ1 and of the frequency at which the crossing of the rotational components is observed.

  12. Bioenergetic Progress and Heat Barriers

    Science.gov (United States)

    Zotin, A. A.; Lamprecht, I.; Zotin, A. I.

    2001-07-01

    Progressing biological evolution is discussed in the framework of nonequilibrium thermodynamics. It is connected with an increase of the mass specific standard metabolism given by coefficient a in the allometric relation (1) between oxygen consumption rate and body mass of an animal. Three “heat barriers” are found in the course of such a bioenergetic evolution. The first heat barrier concerns an animal's overheating during active movement and is overcome by the development of thermoregulation and the appearance of homeothermic animals. A second barrier arises when the coefficient a reaches values connected with lethal body temperatures. The transition across this second heat barrier occurs as result of reasonable activities and the appearance of civilization. The third heat barrier will arise during the further development of human civilization, connected with a highly increased energy production and a fatal warming of the Earth atmosphere. The manner to overcome this barrier will probably depend on the assimilation of space and the establishment of energy consuming industries outside the Earth. The bioenergetic evolution discussed in this paper does not exclude other trends of evolution, e.g. increase of size, and does not mean to be the only aspect of biological evolution.

  13. Slowly rotating supercompact Schwarzschild stars

    Science.gov (United States)

    Posada, Camilo

    2017-06-01

    The Schwarzschild interior solution, or 'Schwarzschild star', which describes a spherically symmetric homogeneous mass with a constant energy density, shows a divergence in pressure when the radius of the star reaches the Schwarzschild-Buchdahl bound. Recently, Mazur and Mottola showed that this divergence is integrable through the Komar formula, inducing non-isotropic transverse stresses on a surface of some radius R0. When this radius approaches the Schwarzschild radius Rs = 2 M, the interior solution becomes one of negative pressure evoking a de Sitter space-time. This gravitational condensate star, or gravastar, is an alternative solution to the idea of a black hole as the ultimate state of gravitational collapse. Using Hartle's model to calculate equilibrium configurations of slowly rotating masses, we report results of surface and integral properties for a Schwarzschild star in the very little studied region Rs < R < (9/8)Rs. We found that in the gravastar limit, the angular velocity of the fluid relative to the local inertial frame tends to zero, indicating rigid rotation. Remarkably, the normalized moment of inertia I/MR2 and the mass quadrupole moment Q approach the corresponding values for the Kerr metric to second order in Ω. These results provide a solution to the problem of the source of a slowly rotating Kerr black hole.

  14. Energy

    CERN Document Server

    Robertson, William C

    2002-01-01

    Confounded by kinetic energy? Suspect that teaching about simple machines isn t really so simple? Exasperated by electricity? If you fear the study of energy is beyond you, this entertaining book will do more than introduce you to the topic. It will help you actually understand it. At the book s heart are easy-to-grasp explanations of energy basics work, kinetic energy, potential energy, and the transformation of energy and energy as it relates to simple machines, heat energy, temperature, and heat transfer. Irreverent author Bill Robertson suggests activities that bring the basic concepts of energy to life with common household objects. Each chapter ends with a summary and an applications section that uses practical examples such as roller coasters and home heating systems to explain energy transformations and convection cells. The final chapter brings together key concepts in an easy-to-grasp explanation of how electricity is generated. Energy is the second book in the Stop Faking It! series published by NS...

  15. Rotational isovector vibrations in titanium nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Faessler, A.; Nojarov, R.; Taigel, T.

    1989-01-30

    The strong M1 states with K/sup ..pi../ = 1/sup +/ in /sup 44,46,48,50/Ti are described microscopically with a deformed Woods-Saxon potential plus QRPA using a parameter-free self-consistent quadrupole force and an interaction, which restores the rotational symmetry. The available experimental data (energies, B(M1) values and (e,e') form factors in /sup 46,48/Ti) are well described in terms of isovector quadrupole rotational vibrations. These RPA states correspond to the scissor-type of isovector motion described by the two-rotor model, but they overlap only 20-30% with the collective isovector rotational state of this model since only few quasiparticle configurations take part in the RPA rotational vibration.

  16. Rotating Space Elevators: Classical and Statistical Mechanics

    Science.gov (United States)

    Knudsen, Steven

    We investigate a novel and unique dynamical system, the Rotating Space Elevator (RSE). The RSE is a multiply rotating system of strings reaching beyond the Earth geo-synchronous satellite orbit. Objects sliding along the RSE string ("climbers") do not require internal engines or propulsion to be transported far away from the Earth's surface. The RSE thus solves a major problem in the space elevator technology which is how to supply the energy to the climbers moving along the string. The RSE is a double rotating floppy string. The RSE can be made in various shapes that are stabilized by an approximate equilibrium between the gravitational and inertial forces acting in the double rotating frame. The RSE exhibits a variety of interesting dynamical phenomena studied in this thesis.

  17. Rotating Stars in Relativity

    Directory of Open Access Journals (Sweden)

    Nikolaos Stergioulas

    1998-06-01

    Full Text Available Because of the information they can yield about the equation of state of matter at extremely high densities and because they are one of the more possible sources of detectable gravitational waves, rotating relativistic stars have been receiving significant attention in recentyears. We review the latest theoretical and numerical methods for modeling rotating relativistic stars, including stars with a strong magnetic field and hot proto-neutron stars. We also review nonaxisymmetric oscillations and instabilities in rotating stars and summarize the latest developments regarding the gravitational wave-driven (CFS instability in both polar and axial quasi-normal modes.

  18. A rotating quantum vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Lorenci, V.A. de; Svaiter, N.F. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)

    1996-11-01

    It was investigated which mapping has to be used to compare measurements made in a rotating frame to those made in an inertial frame. Using a non-Galilean coordinate transformation, the creation-annihilation operators of a massive scalar field in the rotating frame are not the same as those of an inertial observer. This leads to a new vacuum state(a rotating vacuum) which is a superposition of positive and negative frequency Minkowski particles. Polarization effects in circular accelerators in the proper frame of the electron making a connection with the inertial frame point of view were analysed. 65 refs.

  19. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

    DEFF Research Database (Denmark)

    Pawlowski, F; Jorgensen, P; Olsen, Jeppe

    2002-01-01

    A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

  20. Socio-economic barriers and success factors in the development of low energy consumption housing. A comparative study in three European countries

    Energy Technology Data Exchange (ETDEWEB)

    Beillan, Veronique (EDF Recherche and Developpement, ICAME Dept. (France)); Cayre, Emmanuelle (EDF Recherche and Developpement, ENERBAT Dept. (France)); Goater, Aurelie (Alpheeis Energy and Environment Consulting, Valbonne (France)); Laborgne, Pia; Huber, Andreas (EIFERifer (Germany)); Trotignon, Regine (ADEME (France)); Rochard, Ulrich (Eboek, Tuebingen (Germany)); Pouget, Andre (POUGET Consultants, Paris (France)); Novakov, Dusan (Novasystem En+) (Switzerland))

    2009-07-01

    This study, conducted in 2007-2008, analyses the key factors for allowing the offer of low energy buildings to meet the demand of the households and making low energy consumption operations succeed. It applies a qualitative (on-site survey of several houses) as well as a European comparative approach. Three countries with different levels of development of energy efficient buildings have been chosen: Germany, Switzerland and France. In each country several new single houses with a high-energy performance level - compared to the current regulatory level - have been selected. Around forty interviews have been conducted with inhabitants of the single-family house sector where the final users are also the decision-makers, and with professionals involved in the building of these low energy houses. Main results show the role of meso actors like professionals, association and local communities and the importance of regulations and constructions standards to be taken into account in future policies. Beforehand, an historical analysis in the three countries has enabled us to identify the main facts occurring these thirty last years and their effect on the implementation of low energy buildings: major societal events like the oil crisis, the evolution of the legislation and the regulation, governments' incentives, RandD progress, voluntary initiatives of market players. To provide a reliable comparative analysis, a detailed study has also been conducted on the three energy efficient building labels existing in the selected countries. This analysis showed in which point a comparison based only on a first reading of the objectives of energy consumptions to be reached doesn't correspond to the reality of the aimed performances: although expressed in kWh/m2, the requirements do not recover the same domain and are not calculated with equivalent hypotheses. This study has been carried out in a framework of a partnership between energy providers, public and private energy

  1. Rotator Cuff Injuries

    Science.gov (United States)

    ... cuff are common. They include tendinitis, bursitis, and injuries such as tears. Rotator cuff tendons can become ... cuff depends on age, health, how severe the injury is, and how long you've had the ...

  2. Rotator cuff repair - slideshow

    Science.gov (United States)

    ... presentations/100229.htm Rotator cuff repair - series—Normal anatomy To use the sharing features on this page, ... Bethesda, MD 20894 U.S. Department of Health and Human Services National Institutes of Health Page last updated: ...

  3. The Earth's rotation problem

    Science.gov (United States)

    Brumberg, V. A.; Ivanova, T. V.

    2008-09-01

    The aim of the present paper is to find the trigonometric solution of the equations of the Earth's rotation around its centre of mass in the form of polynomial trigonometric series (Poisson series) without secular and mixed therms. For that the techniques of the General Planetary Theory (GPT) ( Brumberg, 1995) and the Poisson Series Processor (PSP) (Ivanova, 1995) are used. The GPT allows to reduce the equations of the translatory motion of the major planets and the Moon and the equations of the Earth's rotation in Euler parameters to the secular system describing the evolution of the planetary and lunar orbits (independent of the Earth's rotation) and the evolution of the Earth's rotation (depending on the planetary and lunar evolution).

  4. On Averaging Rotations

    DEFF Research Database (Denmark)

    Gramkow, Claus

    2001-01-01

    In this paper two common approaches to averaging rotations are compared to a more advanced approach based on a Riemannian metric. Very often the barycenter of the quaternions or matrices that represent the rotations are used as an estimate of the mean. These methods neglect that rotations belong...... to a non-linear manifold and re-normalization or orthogonalization must be applied to obtain proper rotations. These latter steps have been viewed as ad hoc corrections for the errors introduced by assuming a vector space. The article shows that the two approximative methods can be derived from natural...... approximations to the Riemannian metric, and that the subsequent corrections are inherent in the least squares estimation....

  5. PP-Rotation, P-Inversion and Metathesis in Diphosphines Studied by DFT Calculations: Comments on Some Literature Conflicts

    Directory of Open Access Journals (Sweden)

    Adam D. Molloy

    2016-11-01

    Full Text Available The potential energy surface for internal rotation about the phosphorus–phosphorus bond was calculated at the PCMDCM/B3LYP/6-311++G(d,p computational level for a set of eight symmetrical, unsymmetrical and P-stereogenic diphosphines; H4P2, Me4P2, (CF34P2, Ph4P2, Me2P–P(CF32, Me2P–PPh2, and the meso- and dl-isomers of Me(CF3P–PMe(CF3 and MePhP–PMePh. Certain trends in the data were elucidated and compared with conflicting data from the literature regarding the relative population of anti and gauche rotational isomers. The pyramidal inversion barriers (stereomutation barriers in P-stereogenic cases for the same set of diphosphines was estimated through the inversion transition states and also compared to literature values. Finally, the Me4P2 + (CF34P2 → 2Me2(CF32P2 metathesis reaction was also explored to evaluate its feasibility versus inversion. The finding of larger barriers in the metathesis than in the inversion rules in favour of an inversion mechanism for the stereomutation of P-stereogenic diphosphines.

  6. Low-impact, high toughness transportation barriers.

    Science.gov (United States)

    2012-10-01

    Alternatives to existing transportation truck escape ramps and crash barriers are examined using arrays of : wood, bamboo, and fiberglass structural elements that act as energy absorbers as they deform. The : behaviors of each material type are analy...

  7. Rotating Workforce Scheduling

    OpenAIRE

    Granfeldt, Caroline

    2015-01-01

    Several industries use what is called rotating workforce scheduling. This often means that employees are needed around the clock seven days a week, and that they have a schedule which repeats itself after some weeks. This thesis gives an introduction to this kind of scheduling and presents a review of previous work done in the field. Two different optimization models for rotating workforce scheduling are formulated and compared, and some examples are created to demonstrate how the addition of...

  8. Ipsilateral Rotational Autokeratoplasty

    OpenAIRE

    Yesim Altay

    2016-01-01

    Corneal opacity is a leading cause of monocular blindness, and corneal transplantation is the most commonly performed solid organ transplantation in the world. Keratoplasty techniques for corneal opacities include lamellar allokeratoplasty and penetrating allokeratoplasty. Ipsilateral rotational autokeratoplasty can be an effective alternative to penetrating allokeratoplasty for some patients with corneal scars. This procedure involves a rotation of the patient%u2019s own cornea to move opaci...

  9. Electromagnetic rotational actuation.

    Energy Technology Data Exchange (ETDEWEB)

    Hogan, Alexander Lee

    2010-08-01

    There are many applications that need a meso-scale rotational actuator. These applications have been left by the wayside because of the lack of actuation at this scale. Sandia National Laboratories has many unique fabrication technologies that could be used to create an electromagnetic actuator at this scale. There are also many designs to be explored. In this internship exploration of the designs and fabrications technologies to find an inexpensive design that can be used for prototyping the electromagnetic rotational actuator.

  10. Adiabatic heavy-ion fusion potentials for fusion at deep sub-barrier ...

    Indian Academy of Sciences (India)

    Abstract. The recently reported unusual behaviour of fusion cross-sections at extreme sub-barrier energies has been examined. The adiabatic limit of fusion barriers has been determined from experimental data using the barrier penetration model. These adia- batic barriers are consistent with the adiabatic fusion barriers ...

  11. Hydration effects on the photoionization energy of 2‧-deoxyguanosine 5‧-phosphate and activation barriers for guanine methylation by carcinogenic methane diazonium ions

    Science.gov (United States)

    Eichler, Daniel R.; Hamann, Haley A.; Harte, Katherine A.; Papadantonakis, George A.

    2017-07-01

    Results from DFT calculations indicate that states originating from gas-phase ionization of the phosphate and the base are degenerate in syn-5‧-dGMP- and that bulk hydration lowers the base-localized ionization energy by <0.5 eV. Local ionization maps show that micro-hydration leads to the formation of donor and acceptor hydrogen bonds and the ionization energy decreases or increases in each case respectively. The SN2 transition states of the methylation reactions of guanine with methane diazonium ions are lower at the N7 than at the O6 sites and they are influenced by local ionization energy and steric interference.

  12. Short rotation Wood Crops Program

    Energy Technology Data Exchange (ETDEWEB)

    Wright, L.L.; Ehrenshaft, A.R.

    1990-08-01

    This report synthesizes the technical progress of research projects in the Short Rotation Woody Crops Program for the year ending September 30, 1989. The primary goal of this research program, sponsored by the US Department of Energy's Biofuels and Municipal Waste Technology Division, is the development of a viable technology for producing renewable feedstocks for conversion to biofuels. One of the more significant accomplishments was the documentation that short-rotation woody crops total delivered costs could be $40/Mg or less under optimistic but attainable conditions. By taking advantage of federal subsidies such as those offered under the Conservation Reserve Program, wood energy feedstock costs could be lower. Genetic improvement studies are broadening species performance within geographic regions and under less-than-optimum site conditions. Advances in physiological research are identifying key characteristics of species productivity and response to nutrient applications. Recent developments utilizing biotechnology have achieved success in cell and tissue culture, somaclonal variation, and gene-insertion studies. Productivity gains have been realized with advanced cultural studies of spacing, coppice, and mixed-species trials. 8 figs., 20 tabs.

  13. Rotating superconductor magnet for producing rotating lobed magnetic field lines

    Science.gov (United States)

    Hilal, Sadek K.; Sampson, William B.; Leonard, Edward F.

    1978-01-01

    This invention provides a rotating superconductor magnet for producing a rotating lobed magnetic field, comprising a cryostat; a superconducting magnet in the cryostat having a collar for producing a lobed magnetic field having oppositely directed adjacent field lines; rotatable support means for selectively rotating the superconductor magnet; and means for energizing the superconductor magnet.

  14. Performance Evaluation of Non Rotating and Rotating Anode Reactor in Electro Coagulation Process

    Science.gov (United States)

    Choudhary, Aditya; Mathur, Sanjay, Dr.

    2017-08-01

    Electro coagulation process using various deigns and configurations have been tested from time to time and found to impart major role in the process. Mostly non rotating configurations were used in the available literature. The usage of rotating electrode reactors has come to light and found out to be effective configuration. The effect of rotating and non rotating reactor configurations along with other affecting parameters likes current density, detention time and energy consumption were investigated. Set of experiments were conducted using simulated sample prepared by dissolving basic red dye in tap water to carry out the performance evaluation of the two type of reactors configuration. A comparative study between the two configurations was made to investigate their effectiveness in term of COD removal efficiency and economics of treatment. The results show that rotating reactor configuration have consumed 15-17% less energy for maximum COD removal of 96.40% and thus have better removal efficiency and lower specific energy consumption than non rotating reactor configuration.

  15. Visualization of Thomas–Wigner Rotations

    Directory of Open Access Journals (Sweden)

    Georg Beyerle

    2017-11-01

    Full Text Available It is well known that a sequence of two non-collinear Lorentz boosts (pure Lorentz transformations does not correspond to a Lorentz boost, but involves a spatial rotation, the Wigner or Thomas–Wigner rotation. We visualize the interrelation between this rotation and the relativity of distant simultaneity by moving a Born-rigid object on a closed trajectory in several steps of uniform proper acceleration. Born-rigidity implies that the stern of the boosted object accelerates faster than its bow. It is shown that at least five boost steps are required to return the object’s center to its starting position, if in each step the center is assumed to accelerate uniformly and for the same proper time duration. With these assumptions, the Thomas–Wigner rotation angle depends on a single parameter only. Furthermore, it is illustrated that accelerated motion implies the formation of a “frame boundary”. The boundaries associated with the five boosts constitute a natural barrier and ensure the object’s finite size.

  16. Rotational Motion Control of a Spacecraft

    DEFF Research Database (Denmark)

    Wisniewski, Rafal; Kulczycki, P.

    2001-01-01

    The paper adopts the energy shaping method to control of rotational motion. A global representation of the rigid body motion is given in the canonical form by a quaternion and its conjugate momenta. A general method for motion control on a cotangent bundle to the 3-sphere is suggested. The design...

  17. Rotational motion control of a spacecraft

    DEFF Research Database (Denmark)

    Wisniewski, Rafal; Kulczycki, P.

    2003-01-01

    The paper adopts the energy shaping method to control of rotational motion. A global representation of the rigid body motion is given in the canonical form by a quaternion and its conjugate momenta. A general method for motion control on a cotangent bundle to the 3-sphere is suggested. The design...

  18. Sequential bond energies and barrier heights for the water loss and charge separation dissociation pathways of Cd(2+)(H2O)n, n = 3-11.

    Science.gov (United States)

    Cooper, Theresa E; Armentrout, P B

    2011-03-21

    The bond dissociation energies for losing one water from Cd(2+)(H(2)O)(n) complexes, n = 3-11, are measured using threshold collision-induced dissociation in a guided ion beam tandem mass spectrometer coupled with a thermal electrospray ionization source. Kinetic energy dependent cross sections are obtained for n = 4-11 complexes and analyzed to yield 0 K threshold measurements for loss of one, two, and three water ligands after accounting for multiple collisions, kinetic shifts, and energy distributions. The threshold measurements are converted from 0 to 298 K values to give the hydration enthalpies and free energies for sequentially losing one water from each complex. Theoretical geometry optimizations and single point energy calculations are performed on reactant and product complexes using several levels of theory and basis sets to obtain thermochemistry for comparison to experiment. The charge separation process, Cd(2+)(H(2)O)(n) → CdOH(+)(H(2)O)(m) + H(+)(H(2)O)(n-m-1), is also observed for n = 4 and 5 and the competition between this process and water loss is analyzed. Rate-limiting transition states for the charge separation process at n = 3-6 are calculated and compared to experimental threshold measurements resulting in the conclusion that the critical size for this dissociation pathway of hydrated cadmium is n(crit) = 4.

  19. Simulations of jets driven by black hole rotation.

    Science.gov (United States)

    Semenov, Vladimir; Dyadechkin, Sergey; Punsly, Brian

    2004-08-13

    The origin of jets emitted from black holes is not well understood; however, there are two possible energy sources: the accretion disk or the rotating black hole. Magnetohydrodynamic simulations show a well-defined jet that extracts energy from a black hole. If plasma near the black hole is threaded by large-scale magnetic flux, it will rotate with respect to asymptotic infinity, creating large magnetic stresses. These stresses are released as a relativistic jet at the expense of black hole rotational energy. The physics of the jet initiation in the simulations is described by the theory of black hole gravitohydromagnetics.

  20. Smart parking barrier

    KAUST Repository

    Alharbi, Abdulrazaq M.

    2016-05-06

    Various methods and systems are provided for smart parking barriers. In one example, among others, a smart parking barrier system includes a movable parking barrier located at one end of a parking space, a barrier drive configured to control positioning of the movable parking barrier, and a parking controller configured to initiate movement of the parking barrier, via the barrier drive. The movable parking barrier can be positioned between a first position that restricts access to the parking space and a second position that allows access to the parking space. The parking controller can initiate movement of the movable parking barrier in response to a positive identification of an individual allowed to use the parking space. The parking controller can identify the individual through, e.g., a RFID tag, a mobile device (e.g., a remote control, smartphone, tablet, etc.), an access card, biometric information, or other appropriate identifier.

  1. Effect of magnetic field and soft potential barrier on off-axis donor binding energy in a nanotube with two quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, Jesus D. [Grupo en Teoria de la Materia Condensada, Universidad del Magdalena, Santa Marta (Colombia); Grupo de Fisica Mesoscopica, Departamento de Fisica, Universidad Nacional de Colombia, Bogota (Colombia); Rondano, F.J. [Grupo en Teoria de la Materia Condensada, Universidad del Magdalena, Santa Marta (Colombia); Barba-Ortega, J., E-mail: jjbarbao@unal.edu.co [Grupo de Fisica Mesoscopica, Departamento de Fisica, Universidad Nacional de Colombia, Bogota (Colombia)

    2012-12-15

    We analyze the effect of the magnetic field parallel to the axis and different potential shape on the ground-state binding energy of the off-axis donors in cylindrical nanotubes containing two GaAs/GaAlAs quantum wells (QWs) in a section of the tube layer. We express the wave function as a product of combinations of s and p subband wave functions and an envelope function that depends only on the electron-ion separation. By using the variational principle we derive a differential equation for the envelope function, which we solve numerically. Two peaks in the curves for the dependence of the ground-state binding energies on the donor distance from the axis are presented and it is shown that the increasing the magnetic field increasing the binding energy while the impurity is located in the QW1, whereas the opposite occurs when the impurity is located in the QW2.

  2. Nuclear reaction sup 6 Li( sup 3 He, p) sup 8 Be*[16.63; 16.92] at sub-barrier energies

    CERN Document Server

    Voronchev, V T

    2003-01-01

    We investigate low-energy modes of the sup 6 Li( sup 3 He, p) nuclear reaction leading to a production of sup 8 Be nuclei in 16.63 and 16.92 MeV excited states which may have important applications in nuclear fusion research. An extrapolation procedure developed previously is used to calculate reaction cross sections sigma at energies below 1 MeV and the corresponding Maxwellian rate parameters (sigma v) in the 0-200 keV temperature range. A significant discrepancy between the present values of (sigma v) and those accepted elsewhere is marked at low temperatures. An effect of low-energy resonances associated with highly excited states in the compound nucleus sup 9 B is discussed. The calculated sup 6 Li + sup 3 He reaction cross sections and rate parameters are tabulated.

  3. Countermeasures and barriers

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Johannes [Oersted - DTU, Automation, Kgs. Lyngby (Denmark)

    2005-10-01

    In 1973 Haddon proposed ten strategies for reducing and avoiding damages based on a model of potential harmful energy transfer (Haddon, 1973). The strategies apply to a large variety of unwanted phenomena. Haddon's pioneering work on countermeasures has had a major influence on later thinking about safety. Considering its impact it is remarkable that the literature offers almost no discussions related to the theoretical foundations of Haddon's countermeasure strategies. The present report addresses a number of theoretical issues related to Haddon's countermeasure strategies, which are: 1) A reformulation and formalization of Haddon's countermeasure strategies. 2) An identification and description of some of the problems associated with the term 'barrier'. 3) Suggestions for a more precise terminology based on the causal structure of countermeasures. 4) Extending the scope of countermeasures to include sign-based countermeasures. (au)

  4. Comparison of three dielectric barrier discharges regarding their physical characteristics and influence on the adhesion properties on maple, high density fiberboards and wood plastic composite

    Science.gov (United States)

    Peters, F.; Hünnekens, B.; Wieneke, S.; Militz, H.; Ohms, G.; Viöl, W.

    2017-11-01

    In this study, three different dielectric barrier discharges, based on the same setup and run with the same power supply, are characterized by emission spectroscopy with regards to the reduced electrical field strength, and the rotational, vibrational and electron temperature. To compare discharges common for the treatment on wood, a coplanar surface barrier discharge, a direct dielectric barrier discharge and a jet system/remote plasma are chosen. To minimize influences due to the setups or power, the discharges are realized with the same electrodes and power supply and normalized to the same power. To evaluate the efficiency of the different discharges and the influence on treated materials, the surface free energy is determined on a maple wood, high density fiberboard and wood plastic composite. The influence is measured depending on the treatment time, with the highest impact in the time of 5 s.

  5. Assessment of Orbital-Optimized MP2.5 for Thermochemistry and Kinetics: Dramatic Failures of Standard Perturbation Theory Approaches for Aromatic Bond Dissociation Energies and Barrier Heights of Radical Reactions.

    Science.gov (United States)

    Soydaş, Emine; Bozkaya, Uğur

    2015-04-14

    An assessment of orbital-optimized MP2.5 (OMP2.5) [ Bozkaya, U.; Sherrill, C. D. J. Chem. Phys. 2014, 141, 204105 ] for thermochemistry and kinetics is presented. The OMP2.5 method is applied to closed- and open-shell reaction energies, barrier heights, and aromatic bond dissociation energies. The performance of OMP2.5 is compared with that of the MP2, OMP2, MP2.5, MP3, OMP3, CCSD, and CCSD(T) methods. For most of the test sets, the OMP2.5 method performs better than MP2.5 and CCSD, and provides accurate results. For barrier heights of radical reactions and aromatic bond dissociation energies OMP2.5-MP2.5, OMP2-MP2, and OMP3-MP3 differences become obvious. Especially, for aromatic bond dissociation energies, standard perturbation theory (MP) approaches dramatically fail, providing mean absolute errors (MAEs) of 22.5 (MP2), 17.7 (MP2.5), and 12.8 (MP3) kcal mol(-1), while the MAE values of the orbital-optimized counterparts are 2.7, 2.4, and 2.4 kcal mol(-1), respectively. Hence, there are 5-8-folds reductions in errors when optimized orbitals are employed. Our results demonstrate that standard MP approaches dramatically fail when the reference wave function suffers from the spin-contamination problem. On the other hand, the OMP2.5 method can reduce spin-contamination in the unrestricted Hartree-Fock (UHF) initial guess orbitals. For overall evaluation, we conclude that the OMP2.5 method is very helpful not only for challenging open-shell systems and transition-states but also for closed-shell molecules. Hence, one may prefer OMP2.5 over MP2.5 and CCSD as an O(N(6)) method, where N is the number of basis functions, for thermochemistry and kinetics. The cost of the OMP2.5 method is comparable with that of CCSD for energy computations. However, for analytic gradient computations, the OMP2.5 method is only half as expensive as CCSD.

  6. Pion Condensation by Rotation in a Magnetic Field

    Science.gov (United States)

    Liu, Yizhuang; Zahed, Ismail

    2018-01-01

    We show that the combined effects of a rotation plus a magnetic field can cause charged pion condensation. We suggest that this phenomenon may yield to observable effects in current heavy ion collisions at collider energies, where large magnetism and rotations are expected in off-central collisions.

  7. Calculating pure rotational transitions of water molecule with a ...

    Indian Academy of Sciences (India)

    Abstract. We have calculated pure rotational transitions of water molecule from a kinetic energy operator (KEO) with the z-axis perpendicular to the molecular plane. We have used rotational basis functions which are linear combinations of symmetric top functions so that all matrix elements are real. The calculated spectra ...

  8. Rotational Energy in a Physical Pendulum

    Science.gov (United States)

    Monteiro, Martín; Cabeza, Cecilia; Marti, Arturo C.

    2014-01-01

    Smartphone usage has expanded dramatically in recent years worldwide. This revolution also has impact in undergraduate laboratories where different experiences are facilitated by the use of the sensors usually included in these devices. Recently, in several articles published in the literature, the use of "smartphones" has been proposed…

  9. Potential of anaerobic digestion for mitigation of greenhouse gas emissions and production of renewable energy from agriculture: barriers and incentives to widespread adoption in Europe.

    Science.gov (United States)

    Banks, C J; Salter, A M; Chesshire, M

    2007-01-01

    The paper considers the role of anaerobic digestion in promoting good agricultural practice on farms and the contribution this would make to reducing the environmental impacts associated with manure management. There are no regulatory drivers to promote the use of digestion in Europe, and the technology has only been widely adopted where economic drivers and coherent policies have been implemented at a national level. These measures have included direct subsidy on the energy price paid for "green electricity", and exemption of tax when biogas is used as a vehicle fuel. In those countries where financial incentives are not available or where a financial penalty is incurred through the regulatory regime, the uptake of digestion has been poor. Even with subsidies, digestion of animal manures as a single substrate is not common, and countries with successful schemes have achieved this either by permitting the import of wastes onto the farm or offering bonus subsidies for the use of energy crops. Both of these measures improve the energy efficiency of the process by increasing the volumetric methane production, although concerns are expressed that attention could concentrate on energy production at the expense of improving manure management.

  10. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  11. Ipsilateral Rotational Autokeratoplasty

    Directory of Open Access Journals (Sweden)

    Yesim Altay

    2016-09-01

    Full Text Available Corneal opacity is a leading cause of monocular blindness, and corneal transplantation is the most commonly performed solid organ transplantation in the world. Keratoplasty techniques for corneal opacities include lamellar allokeratoplasty and penetrating allokeratoplasty. Ipsilateral rotational autokeratoplasty can be an effective alternative to penetrating allokeratoplasty for some patients with corneal scars. This procedure involves a rotation of the patient%u2019s own cornea to move opacity out of the visual axis. An important consideration when selecting cases for rotational autokeratoplasty is the dimensions of the corneal scar. Although ipsilateral autokeratoplasty may not provide as good a quality of vision as penetrating allokeratoplasty because of higher astigmatism and reduced corneal pupillary clear zone, these disadvantages are often outweighed when the risk of allograft rejection is high, as in pediatric patients and those with vascularised corneas. This technique would at least partially resolve the issue of scarcity of donor corneal tissue in developing countries.

  12. The optical rotator

    DEFF Research Database (Denmark)

    Tandrup, T; Gundersen, Hans Jørgen Gottlieb; Jensen, Eva B. Vedel

    1997-01-01

    further discuss the methods derived from this principle and present two new local volume estimators. The optical rotator benefits from information obtained in all three dimensions in thick sections but avoids over-/ underprojection problems at the extremes of the cell. Using computer-assisted microscopes......The optical rotator is an unbiased, local stereological principle for estimation of cell volume and cell surface area in thick, transparent slabs, The underlying principle was first described in 1993 by Kieu Jensen (T. Microsc. 170, 45-51) who also derived an estimator of length, In this study we...... the extra measurements demand minimal extra effort and make this estimator even more efficient when it comes to estimation of individual cell size than many of the previous local estimators, We demonstrate the principle of the optical rotator in an example (the cells in the dorsal root ganglion of the rat...

  13. Rotational Dynamics of Diazabicyclo[2.2.2]octane in Isomorphous Halogen-Bonded Co-crystals: Entropic and Enthalpic Effects.

    Science.gov (United States)

    Catalano, Luca; Perez-Estrada, Salvador; Wang, Hsin-Hua; Ayitou, Anoklase J-L; Khan, Saeed I; Terraneo, Giancarlo; Metrangolo, Pierangelo; Brown, Stuart; Garcia-Garibay, Miguel A

    2017-01-18

    Based on rotational dynamics measurements carried out with isomorphic co-crystals formed by halogen-bonding (XB) between tritylacetylene halides (TrX) and diazabicyclo[2.2.2]octane (dabco), we were able to distinguish the sources of the enthalpic and entropic components in the rotational free energy barrier. We describe the formation of the 1:1 co-crystals (TrX···N(R)3N) obtained from 1 equiv of dabco and 1 equiv of either TrI or TrBr, respectively, to give 4a and 4b instead of the potential 2:1 complexes. The co-crystals were prepared by solvent evaporation and mechanochemical synthesis. No co-crystal with TrCl was obtained, reflecting the weaker nature of the TrCl···NR3 interaction. Single-crystal X-ray diffraction confirmed structures that resemble a spinning top on a tripod and revealed that the two XB co-crystals are isomorphous, with slightly different C-X···NR3 (X = I, Br) distances and packing interactions. Quadrupolar-echo 2H NMR experiments with 2H-labeled samples showed that fast rotation of dabco in these co-crystals follows a six-fold potential energy surface with three lowest energy minima. Variable-temperature 1H NMR spin-lattice relaxation (VT 1H T1) data revealed rotational dynamics with indistinguishable pre-exponential factors and small but distinguishable activation energies. The activation energy of 4b (Ea = 0.71 kcal mol-1) is the lowest reported in the field of amphidynamic crystals. Using the Eyring equation, we established that their activation entropy for rotation is small but negative (ΔS⧧ = -3.0 cal mol-1 K-1), while there is almost a 2-fold difference in activation enthalpies, with 4a having a higher barrier (ΔH⧧ = 0.95 kcal mol-1) than 4b (ΔH⧧ = 0.54 kcal mol-1). Analysis of the rotator cavity in the two co-crystals revealed subtle differences in steric interactions that account for their different activation energies.

  14. Rotation of Giant Stars

    Science.gov (United States)

    Kissin, Yevgeni; Thompson, Christopher

    2015-07-01

    The internal rotation of post-main sequence stars is investigated, in response to the convective pumping of angular momentum toward the stellar core, combined with a tight magnetic coupling between core and envelope. The spin evolution is calculated using model stars of initial mass 1, 1.5, and 5 {M}⊙ , taking into account mass loss on the giant branches. We also include the deposition of orbital angular momentum from a sub-stellar companion, as influenced by tidal drag along with the excitation of orbital eccentricity by a fluctuating gravitational quadrupole moment. A range of angular velocity profiles {{Ω }}(r) is considered in the envelope, extending from solid rotation to constant specific angular momentum. We focus on the backreaction of the Coriolis force, and the threshold for dynamo action in the inner envelope. Quantitative agreement with measurements of core rotation in subgiants and post-He core flash stars by Kepler is obtained with a two-layer angular velocity profile: uniform specific angular momentum where the Coriolis parameter {Co}\\equiv {{Ω }}{τ }{con}≲ 1 (here {τ }{con} is the convective time), and {{Ω }}(r)\\propto {r}-1 where {Co}≳ 1. The inner profile is interpreted in terms of a balance between the Coriolis force and angular pressure gradients driven by radially extended convective plumes. Inward angular momentum pumping reduces the surface rotation of subgiants, and the need for a rejuvenated magnetic wind torque. The co-evolution of internal magnetic fields and rotation is considered in Kissin & Thompson, along with the breaking of the rotational coupling between core and envelope due to heavy mass loss.

  15. Multiple Interfacial Fe3O4@BaTiO3/P(VDF-HFP) Core-Shell-Matrix Films with Internal Barrier Layer Capacitor (IBLC) Effects and High Energy Storage Density.

    Science.gov (United States)

    Zhou, Ling; Fu, Qiuyun; Xue, Fei; Tang, Xiahui; Zhou, Dongxiang; Tian, Yahui; Wang, Geng; Wang, Chaohong; Gou, Haibo; Xu, Lei

    2017-11-22

    Flexible nanocomposites composed of high dielectric constant fillers and polymer matrix have shown great potential for electrostatic capacitors and energy storage applications. To obtain the composited material with high dielectric constant and high breakdown strength, multi-interfacial composited particles, which composed of conductive cores and insulating shells and possessed the internal barrier layer capacitor (IBLC) effect, were adopted as fillers. Thus, Fe3O4@BaTiO3 core-shell particles were prepared and loaded into the poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) polymer matrix. As the mass fraction of core-shell fillers increased from 2.5 wt % to 30 wt %, the dielectric constant of the films increased, while the loss tangent remained at a low level (high electric displacement and high electric breakdown strength were achieved in the films with 10 wt % core-shell fillers loaded. The maximum energy storage density of 7.018 J/cm3 was measured at 2350 kV/cm, which shows significant enhancement than those of the pure P(VDF-HFP) films and analogous composited films with converse insulating-conductive core-shell fillers. A Maxwell-Wagner capacitor model was also adopted to interpret the efficiency of IBLC effects on the suppressed loss tangent and the superior breakdown strength. This work explored an effective approach to prepare dielectric nanocomposites for energy storage applications experimentally and theoretically.

  16. Reducing parametric backscattering by polarization rotation

    CERN Document Server

    Barth, Ido

    2016-01-01

    When a laser passes through underdense plasmas, Raman and Brillouin Backscattering can reflect a substantial portion of the incident laser energy. This is a major loss mechanism, for example, in inertial confinement fusion. However, by slow rotation of the incident linear polarization, the overall reflectivity can be reduced significantly. Particle in cell simulations show that, for parameters similar to those of indirect drive fusion experiments, polarization rotation reduces the reflectivity by a factor of $5$. A general, fluid-model based, analytical estimation for the reflectivity reduction agrees with simulations.

  17. New measurement of the 8Li(α ,n )11B reaction in a lower-energy region below the Coulomb barrier

    Science.gov (United States)

    Das, S. K.; Fukuda, T.; Mizoi, Y.; Ishiyama, H.; Miyatake, H.; Watanabe, Y. X.; Hirayama, Y.; Jeong, S. C.; Ikezoe, H.; Matsuda, M.; Nishio, K.; Hashimoto, T.

    2017-05-01

    The 8Li(α ,n )11B reaction is regarded as the key reaction in the inhomogeneous big bang and in type-II supernova nucleosynthesis. Recently, the importance of this reaction to solving the 7Li problem, i.e., the inconsistency between the predicted and the observed primordial 7Li abundances, has also been noted. The most recent cross-section data published by our collaboration group in 2006 [H. Ishiyama et al., Phys. Lett. B 640, 82 (2006), 10.1016/j.physletb.2006.07.036] cover the 0.7- to 2.6-MeV energy region in the center-of-mass system. Here, we present additional data spanning the 0.45- to 1.8-MeV energy region. Thus, the predominant energy region for the big bang nucleosynthesis, corresponding to T9=1 (where T9 is a temperature unit equivalent to 109 K), is almost completely spanned by the previous [H. Ishiyama et al., Phys. Lett. B 640, 82 (2006), 10.1016/j.physletb.2006.07.036] and present results together.

  18. Interfacial energy barrier height of Al2O3/H-terminated (111) diamond heterointerface investigated by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Maréchal, A.; Kato, Y.; Liao, M.; Koizumi, S.

    2017-10-01

    The interfacial band configuration of the high-κ dielectric Al2O3 deposited at 120 ∘C by atomic layer deposition (ALD) on boron- and phosphorus-doped hydrogen-terminated (111) diamond was investigated. Performing X-ray photoelectron spectroscopy measurements of core level binding energies and valence band maxima values, the valence band offsets of both heterojunctions are found to be ΔEV = 1.8 eV and ΔEV = 2.7 eV for Al2O3/H(111)p and Al2O3/H(111)n, respectively. The ALD Al2O3 bandgap energy was measured from the O 1s photoelectron energy loss spectra to be EGA l2O3=7.1 eV . The interfacial band diagram configuration is found to be of type II for both Al2O3/H(111)p and Al2O3/H(111)n heterostructures having conduction band offsets of ΔEC = 0.2 eV and ΔEC = 1.1 eV, respectively. The use of doped (111) hydrogen-terminated diamond for developing future diamond metal-oxide-semiconductor field-effect transistors is discussed.

  19. Formation of asteroid pairs by rotational fission.

    Science.gov (United States)

    Pravec, P; Vokrouhlický, D; Polishook, D; Scheeres, D J; Harris, A W; Galád, A; Vaduvescu, O; Pozo, F; Barr, A; Longa, P; Vachier, F; Colas, F; Pray, D P; Pollock, J; Reichart, D; Ivarsen, K; Haislip, J; Lacluyze, A; Kusnirák, P; Henych, T; Marchis, F; Macomber, B; Jacobson, S A; Krugly, Yu N; Sergeev, A V; Leroy, A

    2010-08-26

    Pairs of asteroids sharing similar heliocentric orbits, but not bound together, were found recently. Backward integrations of their orbits indicated that they separated gently with low relative velocities, but did not provide additional insight into their formation mechanism. A previously hypothesized rotational fission process may explain their formation-critical predictions are that the mass ratios are less than about 0.2 and, as the mass ratio approaches this upper limit, the spin period of the larger body becomes long. Here we report photometric observations of a sample of asteroid pairs, revealing that the primaries of pairs with mass ratios much less than 0.2 rotate rapidly, near their critical fission frequency. As the mass ratio approaches 0.2, the primary period grows long. This occurs as the total energy of the system approaches zero, requiring the asteroid pair to extract an increasing fraction of energy from the primary's spin in order to escape. We do not find asteroid pairs with mass ratios larger than 0.2. Rotationally fissioned systems beyond this limit have insufficient energy to disrupt. We conclude that asteroid pairs are formed by the rotational fission of a parent asteroid into a proto-binary system, which subsequently disrupts under its own internal system dynamics soon after formation.

  20. Rotationally Actuated Prosthetic Hand

    Science.gov (United States)

    Norton, William E.; Belcher, Jewell G., Jr.; Carden, James R.; Vest, Thomas W.

    1991-01-01

    Prosthetic hand attached to end of remaining part of forearm and to upper arm just above elbow. Pincerlike fingers pushed apart to degree depending on rotation of forearm. Simpler in design, simpler to operate, weighs less, and takes up less space.