WorldWideScience

Sample records for efficient state transition

  1. Efficient Computation of Transition State Resonances and Reaction Rates from a Quantum Normal Form

    NARCIS (Netherlands)

    Schubert, Roman; Waalkens, Holger; Wiggins, Stephen

    2006-01-01

    A quantum version of a recent formulation of transition state theory in phase space is presented. The theory developed provides an algorithm to compute quantum reaction rates and the associated Gamov-Siegert resonances with very high accuracy. The algorithm is especially efficient for

  2. The transition between energy efficient and energy inefficient states in Cameroon

    International Nuclear Information System (INIS)

    Adom, Philip Kofi

    2016-01-01

    I use a two-state (energy efficient/inefficient) Markov-switching dynamic model to study energy efficiency in Cameroon in a novel manner, employing yearly data covering 1971 to 2012. I find that the duration of an energy inefficient state is about twice as long as an energy efficient state, mainly due to fuel subsidies, low income, high corruption, regulatory inefficiencies, poorly developed infrastructure and undeveloped markets. To escape from an energy inefficient state a broad policy overhaul is needed. Trade liberalization and related growth policies together with the removal of fuel subsidies are useful, but insufficient policy measures; the results suggest that they should be combined with structural policies, aiming at institutional structure and investment in infrastructure. - Highlights: • I investigate the transition between energy efficient/inefficient states. • On the average, energy inefficient state persists more than energy efficient state. • The duration of energy inefficient state is about twice as long as energy efficient state. • Price, income and trade openness have distinct energy saving effect irrespective of state. • A broad policy overhaul is needed to escape the energy inefficient state.

  3. Energy use, efficiency gains and emission abatement in transitional industrialised economies. Poland and the Baltic states

    Energy Technology Data Exchange (ETDEWEB)

    Salay, Juergen

    1999-05-01

    This thesis is a study of how energy use and air pollution in Poland, Estonia, Latvia and Lithuania have been affected by the economic transition after 1989. It consists of six articles, which examine three different aspects of these changes. The first group of articles analyses the structure of energy use in the Baltic states (Article 1) and Poland (Articles 2 and 3) at the outset of transition. The results show that these countries had a primary energy consumption per GDP which was two to three times higher than in developed market economics because of a more energy intensive structure of the economy and higher specific energy intensities in many sectors of the economy. They also had significantly higher levels of air pollution per primary energy consumption and GDP because of a heavy reliance on fossil fuels, an energy intensive economy and an ineffective control of emissions. The deep fall in energy consumption during the first phase of transition was due to a sharp drop in industrial output and higher fuel prices. In the Baltic states, part of the fall in energy consumption was the result of shortfalls in the supply of oil and gas from Russia. The second group of articles (Articles 4 and 5) examines changes in electricity production, fuel consumption, generation efficiency and sulphur dioxide (SO{sub 2}) emissions in the Polish power industry between 1988 and 1997. The results show that SO{sub 2} emissions dropped by 45 per cent between 1988 and 1997. The drop in emissions was partly the result of a fall in economic activity and electricity production in the early 1990s. Other reasons were more important. One reason was the restructuring of the power industry, during which hard budget constraints were introduced and the price of coal was raised. Another reason for the fall in emissions was the reorganisation and stricter enforcement of environmental protection. Together, these reforms created strong incentives for power plants to switch to high-quality coal

  4. Efficient Sampling of the Structure of Crypto Generators' State Transition Graphs

    Science.gov (United States)

    Keller, Jörg

    Cryptographic generators, e.g. stream cipher generators like the A5/1 used in GSM networks or pseudo-random number generators, are widely used in cryptographic network protocols. Basically, they are finite state machines with deterministic transition functions. Their state transition graphs typically cannot be analyzed analytically, nor can they be explored completely because of their size which typically is at least n = 264. Yet, their structure, i.e. number and sizes of weakly connected components, is of interest because a structure deviating significantly from expected values for random graphs may form a distinguishing attack that indicates a weakness or backdoor. By sampling, one randomly chooses k nodes, derives their distribution onto connected components by graph exploration, and extrapolates these results to the complete graph. In known algorithms, the computational cost to determine the component for one randomly chosen node is up to O(√n), which severely restricts the sample size k. We present an algorithm where the computational cost to find the connected component for one randomly chosen node is O(1), so that a much larger sample size k can be analyzed in a given time. We report on the performance of a prototype implementation, and about preliminary analysis for several generators.

  5. Efficiently reducing transition curvature in heat-assisted magnetic recording with state-of-the-art write heads

    Science.gov (United States)

    Vogler, Christoph; Abert, Claas; Bruckner, Florian; Suess, Dieter

    2017-05-01

    Curvatures of bit transitions on granular media are a serious problem for the read-back process. We address this fundamental issue and propose a possibility to efficiently reduce transition curvatures with state-of-the-art heat-assisted magnetic recording heads. We compare footprints of conventional with those of the proposed head design on different media, consisting of exchange coupled and single phase grains. Additionally, we investigate the impact of various recording parameters, such as the full width at half maximum (FWHM) of the applied heat pulse and the coercivity gradient near the write temperature of the recording grains. The footprints are calculated with a coarse grained model, based on the Landau-Lifshitz-Bloch equation. The presented simulations show a transition curvature reduction of up to 40%, in the case of a medium with exchange coupled grains and a heat pulse with a FWHM of 40 nm. We further give the reason for the straightening of the bit transitions, by means of basic considerations with regard to the effective recording time window of the write process. Besides the transition curvature reduction, the proposed head design yields an improvement of the transition jitter in both down-track and off-track directions.

  6. Variational Transition State Theory

    Energy Technology Data Exchange (ETDEWEB)

    Truhlar, Donald G. [Univ. of Minnesota, Minneapolis, MN (United States)

    2016-09-29

    This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.

  7. Synthesis of POSS-based ionic conductors with low glass transition temperatures for efficient solid-state dye-sensitized solar cells.

    Science.gov (United States)

    Zhang, Wei; Wang, Zhong-Sheng

    2014-07-09

    Replacing liquid-state electrolytes with solid-state electrolytes has been proven to be an effective way to improve the durability of dye-sensitized solar cells (DSSCs). We report herein the synthesis of amorphous ionic conductors based on polyhedral oligomeric silsesquioxane (POSS) with low glass transition temperatures for solid-state DSSCs. As the ionic conductor is amorphous and in the elastomeric state at the operating temperature of DSSCs, good pore filling in the TiO2 film and good interfacial contact between the solid-state electrolyte and the TiO2 film can be guaranteed. When the POSS-based ionic conductor containing an allyl group is doped with only iodine as the solid-state electrolyte without any other additives, power conversion efficiency of 6.29% has been achieved with good long-term stability under one-sun soaking for 1000 h.

  8. Variational transition state theory

    International Nuclear Information System (INIS)

    Truhlar, D.G.

    1986-01-01

    This project is concerned with the development and applications of generalized transition state theory and multidimensional tunneling approximations to chemical reaction rates. They have developed and implemented several practical versions of variational transition state theory (VTST), namely canonical variational theory (CVT), improved canonical variational theory (ICVT), and microcanonical variational theory (μVT). They have also developed and implemented several accurate multidimensional semiclassical tunneling approximations, the most accurate of which are the small-curvature semiclassical adiabatic (SCSA), large-curvature version-3 (LC3), and least-action (LA) approximations. They have applied the methods to thermal rate constants, using transmission coefficients based on ground-state tunneling, and they have also presented and applied adiabatic and diabatic extensions to calculated rate constants for vibrationally excited reactants. Their general goal is to develop accurate methods for calculating chemical reaction rate constants that remain practical even for reasonably complicated molecules. The approximations mentioned above yield rate constants for systems whose potential energy surface is known or assumed. Thus a second, equally important aspect of their work is the determination or modeling, semi-empirically and/or from electronic structure calculations, of potential energy surfaces

  9. Variational transition-state theory

    International Nuclear Information System (INIS)

    Truhlar, D.G.; Garrett, B.C.

    1980-01-01

    A general introduction to and some results from studies of a procedure called variational transition-state theory are presented. A fundamental assumption of this theory is that the net rate of forward reaction at equilibrium equals the equilibrium flux in the product direction through the transition state where the transition state is a surface in phase space dividing reactants from products. Classical generalized-transition-state-theory calculations for nine collinear systems are compared to classical trajectory calculations. This new technique should provide useful insight into the successes and failures of the conventional theory and useful quantitative estimates of possible errors on the predictions of conventional transition-state theory. This should also contribute to a more accurate theory now available for the practical calculations of chemical reaction rates and thermochemical and structural interpretations of rate processes

  10. Household transitions to energy efficient lighting

    International Nuclear Information System (INIS)

    Mills, Bradford; Schleich, Joachim

    2014-01-01

    New energy efficient lighting technologies can significantly reduce household electricity consumption, but adoption has been slow. A unique dataset of German households is used in this paper to examine the factors associated with the replacement of old incandescent lamps (ILs) with new energy efficient compact fluorescent lamps (CFLs) and light emitting diodes (LEDs). The ‘rebound’ effect of increased lamp luminosity in the transition to energy efficient bulbs is analyzed jointly with the replacement decision to account for household self-selection in bulb-type choice. Results indicate that the EU ban on ILs accelerated the pace of transition to CFLs and LEDs, while storage of bulbs significantly dampened the speed of the transition. Higher lighting needs and bulb attributes like energy efficiency, environmental friendliness, and durability spur IL replacement with CFLs or LEDs. Electricity gains from new energy efficient lighting are mitigated by 23% and 47% increases in luminosity for CFL and LED replacements, respectively. Model results suggest that taking the replacement bulb from storage and higher levels of education dampen the magnitude of these luminosity rebounds in IL to CFL transitions. - Highlights: • EU ban on ILs has fostered transitions to energy efficient lighting • Energy efficient, environmentally friendly, and durable lighting preferences make CFL and LED transitions more likely • Indicators of greater lighting needs are associated with higher propensities to replace ILs with CFLs and LEDs • For residential lighting, the rebound effect manifests itself through increases in luminosity • In IL to CLF transitions luminosity increases are lower with higher levels of education

  11. Disruption of the ndhF1 gene affects Chl fluorescence through state transition in the Cyanobacterium Synechocystis sp. PCC 6803, resulting in apparent high efficiency of photosynthesis.

    Science.gov (United States)

    Ogawa, Takako; Harada, Tetsuyuki; Ozaki, Hiroshi; Sonoike, Kintake

    2013-07-01

    In Synechocystis sp. PCC 6803, the disruption of the ndhF1 gene (slr0844), which encodes a subunit of one of the NDH-1 complexes (NDH-1L complex) serving for respiratory electron transfer, causes the largest change in Chl fluorescence induction kinetics among the kinetics of 750 disruptants searched in the Fluorome, the cyanobacterial Chl fluorescence database. The cause of the explicit phenotype of the ndhF1 disruptant was examined by measurements of the photosynthetic rate, Chl fluorescence and state transition. The results demonstrate that the defects in respiratory electron transfer obviously have great impact on Chl fluorescence in cyanobacteria. The inactivation of NDH-1L complexes involving electron transfer from NDH-1 to plastoquinone (PQ) would result in the oxidation of the PQ pool, leading to the transition to State 1, where the yield of Chl fluorescence is high. Apparently, respiration, although its rate is far lower than that of photosynthesis, could affect Chl fluorescence through the state transition as leverage. The disruption of the ndhF1 gene caused lower oxygen-evolving activity but the estimated electron transport rate from Chl fluorescence measurements was faster in the mutant than in the wild-type cells. The discrepancy could be ascribed to the decreased level of non-photochemical quenching due to state transition. One must be cautious when using the Chl fluorescence parameter to estimate photosynthesis in mutants defective in state transition.

  12. State diagrams of tokamaks and state transitions

    International Nuclear Information System (INIS)

    Minardi, E.

    1992-01-01

    In a simple one-fluid cylindrical model of transport and of dissipative effects, the family of the magnetic states of the Tokamak which correspond to a vanishing entropy production in the confinement region is characterized by a define relation or ''state equation'' involving the relevant parameters of the discharge. An investigation is made as to how the entropy production changes when the current density profile is rearranged by a perturbation which conserves the poloidal magnetic flux. It is shown that for a sufficiently short time interval, that is to say t 2 E τ s where τ E is the energy confinement time and τ s is the resistive time, neighbouring bifurcating equilibria exist which can be reached with a flux-conserving transition and with increase of the magnetic entropy. The family of these new states can also be characterized by a state equation involving the relevant discharge parameters. When the state equations of the two families are simultaneously satisfied by the same set of parameter values, a flux-conserving, entropy-increasing transition may take place between states of the two families. The modifications of the current density and of the temperature profiles involved in the transition and the conditions that the discharge parameters should satisfy in order that the transition could occur are investigated. (author)

  13. Energy efficiency: Lever for the Energy Transition

    International Nuclear Information System (INIS)

    2012-12-01

    The Eco-electric industry group (FFIE, FGME, Gimelec, IGNES, SERCE) has conducted a study to evaluate the energy saving potential of active energy efficiency solutions in the residential and commercial building sectors. Based on field implementations and demonstrators, it has been demonstrated that active energy efficiency can sustainably achieve substantial savings for households, companies and public authorities. Energy Efficiency - Lever for the energy transition presents the results and conclusions of that study, alongside with recommendations for public authority in terms of building retrofit policy for putting France on the best possible 'trajectory' from a budgetary and environmental point of view. (author)

  14. Transition Towards Energy Efficient Machine Tools

    CERN Document Server

    Zein, André

    2012-01-01

    Energy efficiency represents a cost-effective and immediate strategy of a sustainable development. Due to substantial environmental and economic implications, a strong emphasis is put on the electrical energy requirements of machine tools for metalworking processes. The improvement of energy efficiency is however confronted with diverse barriers, which sustain an energy efficiency gap of unexploited potential. The deficiencies lie in the lack of information about the actual energy requirements of machine tools, a minimum energy reference to quantify improvement potential and the possible actions to improve the energy demand. Therefore, a comprehensive concept for energy performance management of machine tools is developed which guides the transition towards energy efficient machine tools. It is structured in four innovative concept modules, which are embedded into step-by-step workflow models. The capability of the performance management concept is demonstrated in an automotive manufacturing environment. The ...

  15. Outpatient Imaging Efficiency - State

    Data.gov (United States)

    U.S. Department of Health & Human Services — Use of medical imaging - state data. These measures give you information about hospitals' use of medical imaging tests for outpatients. Examples of medical imaging...

  16. Periodic-orbit formula for quantum reactions through transition states

    NARCIS (Netherlands)

    Schubert, Roman; Waalkens, Holger; Goussev, Arseni; Wiggins, Stephen

    2010-01-01

    Transition state theory forms the basis of computing reaction rates in chemical and other systems. Recently, it has been shown how transition state theory can rigorously be realized in phase space by using an explicit algorithm. The quantization has been demonstrated to lead to an efficient

  17. The transition to efficiency in minority games

    International Nuclear Information System (INIS)

    Galla, Tobias; De Martino, Andrea

    2008-01-01

    The existence of a phase transition with diverging susceptibility in batch minority games (MGs) is the mark of informationally efficient regimes and is linked to the specifics of the agents' learning rules. Here, we study how the standard scenario is affected in a mixed population game in which agents with the 'optimal' learning rule (i.e. the one leading to efficiency) coexist with those whose adaptive dynamics is sub-optimal. Our generic finding is that any non-vanishing intensive fraction of optimal agents guarantees the existence of an efficient phase. Specifically, we calculate the dependence of the critical point on the fraction q of 'optimal' agents focusing our analysis on three cases: MGs with market impact correction, grand-canonical MGs and MGs with heterogeneous comfort levels

  18. Transition towards energy efficient machine tools

    Energy Technology Data Exchange (ETDEWEB)

    Zein, Andre [Technische Univ. Braunschweig (Germany). Inst. fuer Werkzeugmaschinen und Fertigungstechnik

    2012-07-01

    Provides unique data about industrial trends affecting the energy demand of machine tools. Presents a comprehensive methodology to assess the energy efficiency of machining processes. Contains an integrated management concept to implement energy performance measures into existing industrial systems. Includes an industrial case study with two exemplary applications. Energy efficiency represents a cost-effective and immediate strategy of a sustainable development. Due to substantial environmental and economic implications, a strong emphasis is put on the electrical energy requirements of machine tools for metalworking processes. The improvement of energy efficiency is however confronted with diverse barriers, which sustain an energy efficiency gap of unexploited potential. The deficiencies lie in the lack of information about the actual energy requirements of machine tools, a minimum energy reference to quantify improvement potential and the possible actions to improve the energy demand. Therefore, a comprehensive concept for energy performance management of machine tools is developed which guides the transition towards energy efficient machine tools. It is structured in four innovative concept modules, which are embedded into step-by-step workflow models. The capability of the performance management concept is demonstrated in an automotive manufacturing environment. The target audience primarily comprises researchers and practitioners challenged to enhance energy efficiency in manufacturing. The book may also be beneficial for graduate students who want to specialize in this field.

  19. Transition state structures in solution

    International Nuclear Information System (INIS)

    Bertran, J.; Lluch, J. M.; Gonzalez-Lafont, A.; Dillet, V.; Perez, V.

    1995-01-01

    In the present paper the location of transition state structures for reactions in solution has been studied. Continuum model calculations have been carried out on the Friedel-Crafts alkylation reaction and a proton transfer through a water molecule between two oxygen atoms in formic acid. In this model the separation between the chemical system and the solvent has been introduced. On the other hand, the discrete Monte Carlo methodology has also been used to simulate the solvent effect on dissociative electron transfer processes. In this model, the hypothesis of separability is not assumed. Finally, the validity of both approaches is discussed

  20. State Transitions in Semiarid Landscapes

    Science.gov (United States)

    Phillips, J. D.

    2012-04-01

    The U.S. Department of Agriculture has developed a large number of state-and-transition models (STM) to predict and interpret changes in vegetation communities in drylands of the southwestern U.S. These are represented as box-and-arrow models indicating potential changes in response to various combinations of management practices and environmental forcings. Analysis of the 320 STMs developed for areas within the state of Texas reveals two important aspects of environmental change in semiarid environments. First, the STMs are highly local—they are specific to very particular combinations of landform, soil, and climate. This is consistent with the perfect landscape concept in geomorphology, which emphasizes the irreducible importance of geographically and historically contingent local factors in addition to universal laws or principles in determining the state or condition of landscapes. Second, analysis of the STMs using algebraic graph theory shows that a majority of them have structures that tend to amplify effects of change and disturbances. In many cases the STMs represent a form of self-organization characterized by the potential of divergent behavior rather than convergence toward a dominant pattern or outcome. These results indicate that geomorphic, hydrologic, and ecological responses to climate and land use change are likely to be highly variable and idiosyncratic, both within and between semiarid landscapes of Texas.

  1. Partial information, market efficiency, and anomalous continuous phase transition

    International Nuclear Information System (INIS)

    Yang, Guang; Zheng, Wenzhi; Huang, Jiping

    2014-01-01

    It is a common belief in economics and social science that if there is more information available for agents to gather in a human system, the system can become more efficient. The belief can be easily understood according to the well-known efficient market hypothesis. In this work, we attempt to challenge this belief by investigating a complex adaptive system, which is modeled by a market-directed resource-allocation game with a directed random network. We conduct a series of controlled human experiments in the laboratory to show the reliability of the model design. As a result, we find that even under a small information concentration, the system can still almost reach the optimal (balanced) state. Furthermore, the ensemble average of the system’s fluctuation level goes through a continuous phase transition. This behavior means that in the second phase if too much information is shared among agents, the system’s stability will be harmed instead, which differs from the belief mentioned above. Also, at the transition point, the ensemble fluctuations of the fluctuation level remain at a low value. This phenomenon is in contrast to the textbook knowledge about continuous phase transitions in traditional physical systems, namely, fluctuations will rise abnormally around a transition point since the correlation length becomes infinite. Thus, this work is of potential value to a variety of fields, such as physics, economics, complexity science, and artificial intelligence. (paper)

  2. Partial information, market efficiency, and anomalous continuous phase transition

    Science.gov (United States)

    Yang, Guang; Zheng, Wenzhi; Huang, Jiping

    2014-04-01

    It is a common belief in economics and social science that if there is more information available for agents to gather in a human system, the system can become more efficient. The belief can be easily understood according to the well-known efficient market hypothesis. In this work, we attempt to challenge this belief by investigating a complex adaptive system, which is modeled by a market-directed resource-allocation game with a directed random network. We conduct a series of controlled human experiments in the laboratory to show the reliability of the model design. As a result, we find that even under a small information concentration, the system can still almost reach the optimal (balanced) state. Furthermore, the ensemble average of the system’s fluctuation level goes through a continuous phase transition. This behavior means that in the second phase if too much information is shared among agents, the system’s stability will be harmed instead, which differs from the belief mentioned above. Also, at the transition point, the ensemble fluctuations of the fluctuation level remain at a low value. This phenomenon is in contrast to the textbook knowledge about continuous phase transitions in traditional physical systems, namely, fluctuations will rise abnormally around a transition point since the correlation length becomes infinite. Thus, this work is of potential value to a variety of fields, such as physics, economics, complexity science, and artificial intelligence.

  3. Transition I efficiency and victory in volleyball matches

    Directory of Open Access Journals (Sweden)

    Herbert Ugrinowitsch

    2014-03-01

    Full Text Available The present study investigated the correlation between Transition Iwith victory in volleyball matches. The 2002 South-American Youth Men's Championship was recorded and the Transition I was analyzed and classified as negative, null or positive. Results of the efficiency in Transition I was calculated using t test for independent samples and compared to the efficiency between teams during each set and matches. Spearman correlation assessed the relationship between efficiency in each set and results of the matches with the final ranking in the championship. The results showed that the winning teams exhibited higher efficiency in Transition I, as well as a positive relationship of higher efficiency in Transition I with all of their results. The higher efficiency in Transition I is related to victory in volleyball matches.

  4. State ownership and efficiency characteristics

    Directory of Open Access Journals (Sweden)

    Alexander Abramov

    2017-06-01

    Full Text Available This study examines the influence of state participation in the ownership structure of companies on their financial efficiency using a sample of 114 largest companies in Russia. As an indirect indicator of efficiency, we used a variety of financial indicators: revenue per employee (gross margin, return on equity, profit margin and debt burden. The effects of direct and indirect state ownership are considered separately. Using econometric analysis, we conclude that the dominance of the block of shares owned by the state has a negative effect on the performance characteristics, and its increase is associated with an increase in the debt burden of the companies. According to our criteria, state-owned enterprises (SOEs perform worse on average than private companies. The mechanism of how changes in the “real sector” affect profitability is examined particularly closely. The study shows that a change in the profitability of private companies is characterized by a significant dependence on the movement of labor productivity characteristics. At the same time, for SOEs, a similar correlation was not revealed. These companies demonstrated no visible relationship between their profitability and performance characteristics. The study shows that increases in the size of direct government ownership lead to lower labor productivity and profitability; the impact of indirect ownership is, seemingly, more complicated.

  5. Bifurcations of transition states: Morse bifurcations

    International Nuclear Information System (INIS)

    MacKay, R S; Strub, D C

    2014-01-01

    A transition state for a Hamiltonian system is a closed, invariant, oriented, codimension-2 submanifold of an energy level that can be spanned by two compact codimension-1 surfaces of unidirectional flux whose union, called a dividing surface, locally separates the energy level into two components and has no local recrossings. For this to happen robustly to all smooth perturbations, the transition state must be normally hyperbolic. The dividing surface then has locally minimal geometric flux through it, giving an upper bound on the rate of transport in either direction. Transition states diffeomorphic to S 2m−3 are known to exist for energies just above any index-1 critical point of a Hamiltonian of m degrees of freedom, with dividing surfaces S 2m−2 . The question addressed here is what qualitative changes in the transition state, and consequently the dividing surface, may occur as the energy or other parameters are varied? We find that there is a class of systems for which the transition state becomes singular and then regains normal hyperbolicity with a change in diffeomorphism class. These are Morse bifurcations. Various examples are considered. Firstly, some simple examples in which transition states connect or disconnect, and the dividing surface may become a torus or other. Then, we show how sequences of Morse bifurcations producing various interesting forms of transition state and dividing surface are present in reacting systems, by considering a hypothetical class of bimolecular reactions in gas phase. (paper)

  6. Transitions between compound states of spherical nuclei

    International Nuclear Information System (INIS)

    Kadmenskii, S.G.; Markushev, V.P.; Furman, V.I.

    1980-01-01

    Wigner's statistical matrices are used to study the average reduced g widths and their dispersion for g transitions from a compound state c to another state f, with a lower excitation energy but of arbitrary complexity, for spherical nuclei. It is found that the Porter--Thomas distribution holds for the g widths for all cases of practical interest. In g transitions between compound states c and c' with E/sub g/< or =2 MeV, the most important transitions are M1 transitions involving the major many-quasiparticle components of state c and E1 transitions involving the minor components of state c. It is shown that the strength functions predicted by the various theories for M1 and E1 transitions between compound states with E/sub g/< or =2 MeV are similar. Preference is assigned to the M1-transition version because of experimental results on (n,ga) reactions with thermal and resonance neutrons

  7. Optimal trajectories of brain state transitions.

    Science.gov (United States)

    Gu, Shi; Betzel, Richard F; Mattar, Marcelo G; Cieslak, Matthew; Delio, Philip R; Grafton, Scott T; Pasqualetti, Fabio; Bassett, Danielle S

    2017-03-01

    The complexity of neural dynamics stems in part from the complexity of the underlying anatomy. Yet how white matter structure constrains how the brain transitions from one cognitive state to another remains unknown. Here we address this question by drawing on recent advances in network control theory to model the underlying mechanisms of brain state transitions as elicited by the collective control of region sets. We find that previously identified attention and executive control systems are poised to affect a broad array of state transitions that cannot easily be classified by traditional engineering-based notions of control. This theoretical versatility comes with a vulnerability to injury. In patients with mild traumatic brain injury, we observe a loss of specificity in putative control processes, suggesting greater susceptibility to neurophysiological noise. These results offer fundamental insights into the mechanisms driving brain state transitions in healthy cognition and their alteration following injury. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

  8. Dependency in State Transitions of Wind Turbines

    DEFF Research Database (Denmark)

    Herp, Jürgen; Ramezani, Mohammad Hossein; S. Nadimi, Esmaeil

    2017-01-01

    © 2017 IEEE. Turbine states and predicting the transition into failure states ahead of time is important in operation and maintenance of wind turbines. This study presents a method to monitor state transitions of a wind turbine based on the online inference on residuals. In a Bayesian framework...... be abstracted from generated data. Two models are presented: 1) assuming independence and 2) assuming dependence between states. In order to select the right models, machine learning is utilized to update hyperparameters on the conditional probabilities. Comparing fixed to learned hyperparameters points out...... the impact machine learning concepts have on the predictive performance of the presented models. In conclusion, a study on model residuals is performed to highlight the contribution to wind turbine monitoring. The presented algorithm can consistently detect the state transition under various configurations...

  9. State Energy Efficiency Benefits and Opportunities

    Science.gov (United States)

    Describes the benefits of energy efficiency and how to assess its potential for your state. Also, find details on energy efficiency policies, programs, and resources available for furthering energy efficiency goals.

  10. Governance of urban transitions: towards sustainable resource efficient urban infrastructures

    Science.gov (United States)

    Swilling, Mark; Hajer, Maarten

    2017-12-01

    The transition to sustainable resource efficient cities calls for new governance arrangements. The awareness that the doubling of the global urban population will result in unsustainable levels of demand for natural resources requires changes in the existing socio-technical systems. Domestic material consumption could go up from 40 billion tons in 2010, to 89 billion tons by 2050. While there are a number of socio-technical alternatives that could result in significant improvements in the resource efficiency of urban systems in developed and developing countries (specifically bus-rapid transit, district energy systems and green buildings), we need to rethink the urban governance arrangements to get to this alternative pathway. We note modes of urban governance have changed over the past century as economic and urban development paradigms have shifted at the national and global levels. This time round we identify cities as leading actors in the transition to more sustainable modes of production and consumption as articulated in the Sustainable Development Goals. This has resulted in a surge of urban experimentation across all world regions, both North and South. Building on this empirically observable trend we suggest this can also be seen as a building block of a new urban governance paradigm. An ‘entrepreneurial urban governance’ is proposed that envisages an active and goal-setting role for the state, but in ways that allows broader coalitions of urban ‘agents of change’ to emerge. This entrepreneurial urban governance fosters and promotes experimentation rather than suppressing the myriad of such initiatives across the globe, and connects to global city networks for systemic learning between cities. Experimentation needs to result in a contextually appropriate balance between economic, social, technological and sustainable development. A full and detailed elaboration of the arguments and sources for this article can be found in chapter 6 of Swilling M et

  11. Efficient transportation for Vermont : optimal statewide transit networks.

    Science.gov (United States)

    2011-01-01

    "Public transit systems are receiving increased attention as viable solutions to problems with : transportation system robustness, energy-efficiency and equity. The over-reliance on a single : mode, the automobile, is a threat to system robustness. I...

  12. Transition state analogue imprinted polymers as artificial amidases for amino acid p-nitroanilides: morphological effects of polymer network on catalytic efficiency.

    Science.gov (United States)

    Mathew, Divya; Thomas, Benny; Devaky, K S

    2017-11-13

    The morphology of the polymer network - porous/less porous - plays predominant role in the amidase activities of the polymer catalysts in the hydrolytic reactions of amino acid p-nitroanilides. Polymers with the imprints of stable phosphonate analogue of the intermediate of hydrolytic reactions were synthesized as enzyme mimics. Molecular imprinting was carried out in thermodynamically stable porogen dimethyl sulphoxide and unstable porogen chloroform, to investigate the morphological effects of polymers on catalytic amidolysis. It was found that the medium of polymerization has vital influence in the amidase activities of the enzyme mimics. The morphological studies of the polymer catalysts were carried out by scanning electron microscopy and Bruner-Emmett-Teller analysis. The morphology of the polymer catalysts and their amidase activities are found to be dependent on the composition of reaction medium. The polymer catalyst prepared in dimethyl sulphoxide is observed to be efficient in 1:9 acetonitrile (ACN)-Tris HCl buffer and that prepared in chloroform is noticed to be stereo specifically and shape-selectively effective in 9:1 ACN-Tris HCl buffer. The solvent memory effect in catalytic amidolysis was investigated using the polymer prepared in acetonitrile.

  13. Visualizing cell state transition using Raman spectroscopy.

    Directory of Open Access Journals (Sweden)

    Taro Ichimura

    Full Text Available System level understanding of the cell requires detailed description of the cell state, which is often characterized by the expression levels of proteins. However, understanding the cell state requires comprehensive information of the cell, which is usually obtained from a large number of cells and their disruption. In this study, we used Raman spectroscopy, which can report changes in the cell state without introducing any label, as a non-invasive method with single cell capability. Significant differences in Raman spectra were observed at the levels of both the cytosol and nucleus in different cell-lines from mouse, indicating that Raman spectra reflect differences in the cell state. Difference in cell state was observed before and after the induction of differentiation in neuroblastoma and adipocytes, showing that Raman spectra can detect subtle changes in the cell state. Cell state transitions during embryonic stem cell (ESC differentiation were visualized when Raman spectroscopy was coupled with principal component analysis (PCA, which showed gradual transition in the cell states during differentiation. Detailed analysis showed that the diversity between cells are large in undifferentiated ESC and in mesenchymal stem cells compared with terminally differentiated cells, implying that the cell state in stem cells stochastically fluctuates during the self-renewal process. The present study strongly indicates that Raman spectral morphology, in combination with PCA, can be used to establish cells' fingerprints, which can be useful for distinguishing and identifying different cellular states.

  14. Transition state theory for enzyme kinetics

    Science.gov (United States)

    Truhlar, Donald G.

    2015-01-01

    This article is an essay that discusses the concepts underlying the application of modern transition state theory to reactions in enzymes. Issues covered include the potential of mean force, the quantization of vibrations, the free energy of activation, and transmission coefficients to account for nonequilibrium effect, recrossing, and tunneling. PMID:26008760

  15. A Model of Mental State Transition Network

    Science.gov (United States)

    Xiang, Hua; Jiang, Peilin; Xiao, Shuang; Ren, Fuji; Kuroiwa, Shingo

    Emotion is one of the most essential and basic attributes of human intelligence. Current AI (Artificial Intelligence) research is concentrating on physical components of emotion, rarely is it carried out from the view of psychology directly(1). Study on the model of artificial psychology is the first step in the development of human-computer interaction. As affective computing remains unpredictable, creating a reasonable mental model becomes the primary task for building a hybrid system. A pragmatic mental model is also the fundament of some key topics such as recognition and synthesis of emotions. In this paper a Mental State Transition Network Model(2) is proposed to detect human emotions. By a series of psychological experiments, we present a new way to predict coming human's emotions depending on the various current emotional states under various stimuli. Besides, people in different genders and characters are taken into consideration in our investigation. According to the psychological experiments data derived from 200 questionnaires, a Mental State Transition Network Model for describing the transitions in distribution among the emotions and relationships between internal mental situations and external are concluded. Further more the coefficients of the mental transition network model were achieved. Comparing seven relative evaluating experiments, an average precision rate of 0.843 is achieved using a set of samples for the proposed model.

  16. Energy efficient solid state lighting

    Energy Technology Data Exchange (ETDEWEB)

    Dam-Hansen, C.; Petersen, Poul Michael

    2012-11-15

    Even though vast improvements have been made on efficiency and light quality, SSL is still in its infancy. One of the barriers for a market introduction is the price, which still is around 5 times higher than traditional lighting technologies. In order to fulfil the potential of SSL, further research and development needs to increase the light extraction from semiconductor materials, provide better and cheaper production and packaging, and advanced optical systems for optimized light distribution and new thermal solutions for SSL lamps and luminaires. Nanotechnology and applied research at DTU Fotonik in close collaboration with industry are essential parts in the development of new enhanced LED optical systems and LEDs with higher light extraction efficiency. Photonic crystals can help to efficiently extract light from LEDs and to form a desired emission profile. Future directions are devoted to the next generation of LEDs, in which the spontaneous emission is photon enhanced. One realization of this idea is using LEDs with a layer of nanocrystals, which are coupled to the quantum well of the LED. Such R and D work is ongoing all over the world and DOE roadmaps foresee luminous efficiencies by 2020 that are close to 250 lm/W for both cold and warm white light from LEDs, and prices in the order of one dollar per kilolumen. Such figures will drastically reduce the energy consumption worldwide for lighting, and hence a marked reduction in carbon emissions. (Author)

  17. Quantum Phase Transitions in Matrix Product States

    International Nuclear Information System (INIS)

    Jing-Min, Zhu

    2008-01-01

    We present a new general and much simpler scheme to construct various quantum phase transitions (QPTs) in spin chain systems with matrix product ground states. By use of the scheme we take into account one kind of matrix product state (MPS) QPT and provide a concrete model. We also study the properties of the concrete example and show that a kind of QPT appears, accompanied by the appearance of the discontinuity of the parity absent block physical observable, diverging correlation length only for the parity absent block operator, and other properties which are that the fixed point of the transition point is an isolated intermediate-coupling fixed point of renormalization flow and the entanglement entropy of a half-infinite chain is discontinuous

  18. Quantum phase transitions in matrix product states

    International Nuclear Information System (INIS)

    Zhu Jingmin

    2008-01-01

    We present a new general and much simpler scheme to construct various quantum phase transitions (QPTs) in spin chain systems with matrix product ground states. By use of the scheme we take into account one kind of matrix product state (MPS) QPT and provide a concrete model. We also study the properties of the concrete example and show that a kind of QPT appears, accompanied by the appearance of the discontinuity of the parity absent block physical observable, diverging correlation length only for the parity absent block operator, and other properties which are that the fixed point of the transition point is an isolated intermediate-coupling fixed point of renormalization flow and the entanglement entropy of a half-infinite chain is discontinuous. (authors)

  19. State-Level Benefits of Energy Efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Tonn, Bruce Edward [ORNL

    2007-02-01

    This report describes benefits attributable to state-level energy efficiency programs. Nationwide, state-level energy efficiency programs have targeted all sectors of the economy and have employed a wide range of methods to promote energy efficiency. Standard residential and industrial programs typically identify between 20 to 30% energy savings in homes and plants, respectively. Over a 20 year period of time, an average state that aggressively pursues even a limited array of energy efficiency programs can potentially reduce total state energy use by as much as 20%. Benefit-cost ratios of effective energy efficiency programs typically exceed 3 to 1 and are much higher when non-energy and macroeconomic benefits are included. Indeed, energy efficiency and associated programs and investments can create significant numbers of new jobs and enhance state tax revenues. Several states have incorporated energy efficiency into their economic development programs. It should also be noted that increasing amounts of venture capital are being invested in the energy sector in general and in specific technologies like solar power in particular. Well-designed energy efficiency programs can be expected to help overcome numerous barriers to the market penetration of energy efficient technologies and accelerate the market penetration of the technologies.

  20. State-level benefits of energy efficiency

    International Nuclear Information System (INIS)

    Tonn, Bruce; Peretz, Jean H.

    2007-01-01

    This paper describes benefits attributable to state-level energy efficiency programs. Nationwide, state-level energy efficiency programs have targeted all sectors of the economy and have employed a wide range of methods to promote energy efficiency. Standard residential and industrial programs typically identify between 20% and 30% energy savings in homes and plants, respectively. Over a 20-year period of time, an average state that aggressively pursues even a limited array of energy efficiency programs can potentially reduce total state energy use by as much as 20%. Well-designed energy efficiency programs can be expected to help overcome numerous barriers to the market penetration of energy efficient technologies and accelerate the market penetration of the technologies. Energy efficiency programs are cost-effective; typical benefit-cost ratios exceed 3:1 and are much higher when non-energy and macroeconomic benefits are included. Indeed, energy efficiency and associated programs and investments can create significant numbers of new jobs and enhance state tax revenues. Several states have incorporated energy efficiency into their economic development programs. It should also be noted that increasing amounts of venture capital are being invested in the energy sector in general and in specific technologies like solar power in particular. (author)

  1. Tethered Transition Metals Promoted Photocatalytic System for Efficient Hydrogen Evolutions

    KAUST Repository

    Takanabe, Kazuhiro; Isimjan, Tayirjan; Yu, Weili; Del Gobbo, Silvano; Xu, Wei

    2015-01-01

    The present invention is directed, at least in part, to a process for improving the efficiency of a photocatalyst (a semiconductor photocatalyst) by tethering (depositing) a metal (e.g., metal ions of a late transition metal, such as nickel) to the semiconductor (photocatalyst) surface through the use of an organic ligand. More specifically, 1,2-ethanedithiol (EDT) functions as an excellent molecular linker (organic ligand) to attach a transition metal complex (e.g., nickel (Ni.sup.2+ ions)) to the semiconductor surface, which can be in the form of a cadmium sulfide surface. The photocatalyst has particular utility in generating hydrogen from H.sub.2S.

  2. Tethered Transition Metals Promoted Photocatalytic System for Efficient Hydrogen Evolutions

    KAUST Repository

    Takanabe, Kazuhiro

    2015-03-05

    The present invention is directed, at least in part, to a process for improving the efficiency of a photocatalyst (a semiconductor photocatalyst) by tethering (depositing) a metal (e.g., metal ions of a late transition metal, such as nickel) to the semiconductor (photocatalyst) surface through the use of an organic ligand. More specifically, 1,2-ethanedithiol (EDT) functions as an excellent molecular linker (organic ligand) to attach a transition metal complex (e.g., nickel (Ni.sup.2+ ions)) to the semiconductor surface, which can be in the form of a cadmium sulfide surface. The photocatalyst has particular utility in generating hydrogen from H.sub.2S.

  3. Transitions in the computational power of thermal states for measurement-based quantum computation

    International Nuclear Information System (INIS)

    Barrett, Sean D.; Bartlett, Stephen D.; Jennings, David; Doherty, Andrew C.; Rudolph, Terry

    2009-01-01

    We show that the usefulness of the thermal state of a specific spin-lattice model for measurement-based quantum computing exhibits a transition between two distinct 'phases' - one in which every state is a universal resource for quantum computation, and another in which any local measurement sequence can be simulated efficiently on a classical computer. Remarkably, this transition in computational power does not coincide with any phase transition, classical, or quantum in the underlying spin-lattice model.

  4. Energy efficiency throughout the world. On the way to transition

    International Nuclear Information System (INIS)

    Dessus, Benjamin; Laponche, Bernard; Blaustein, Edgar; Chappoz, Loic; Labrousse, Michel; Humberset, Suzanne; Peullemeulle, Justine; Magnin, Gerard; Lacassagne, Sylvie; Bertinat, Pablo; Soumaila, Ibrahim; Rialhe, Anne; Clain, Cristina; Poveda, Mentor; Scalambrini Coasta, Heitor; Diniz, Silvio; Osman, Nejib; Singh, Daljit; Sant, Girish; Kokino, Issairo; Methe Myrand, Lea; Raoust, Michel; Novel, Aymeric; Narain, Sunita; D'Monte, Darryl; Lopez, Jose; Mohanty, Brahmanand; Mezghani, Mohamed; Chamonin, Denis

    2012-10-01

    This document gathers several articles from different countries on different topics related to energy transition. The first part deals with the challenge of energy efficiency as a mean on the way to energy transition (in France, in Europe, in Latin America, in Asian developing countries). The second part illustrates through examples the importance of governance issues and political will (access to energy in West Africa, a network in Latin America and the Caribbean, use of LEDs for public lighting in Brazil, Tunisian policy, role of regulation authorities, situation in India). The third part proposes examples illustrating the importance of the local dimension in any policy aimed at energy efficiency (a project in Africa, public support in housing construction in Austin, the Swedish city of Vaxjo, the French city of Montdidier, the example of two quarters of Geneva using the lake water as cooling or heating source, the refrigerator fleet in a Palestinian village). The last part reports several experiments made in different sectors (building thermal rehabilitation in China, green buildings in India, the building sector in India, a new strategy in India for domestic and commercial electric equipment, stimulation of energy efficiency in the Japanese industry, public transport in sub-Saharan cities, energy efficiency in Indian agriculture)

  5. Managing transition towards energy efficient housing at the local level

    DEFF Research Database (Denmark)

    Quitzau, Maj-Britt; Hoffmann, Birgitte; Elle, Morten

    2010-01-01

    regulation in several European countries, the general picture remains that existing regimes in the building sector are withheld and that little innovation in terms of new radical energy efficient solutions is taking place. In order to dissolve such a deadlock in the building sector, there is a need to target...... the capability to coordinate and facilitate this complex transition process. The local scale of policy-formulation has been chosen in this paper in order to describe transition processes from the perspective of practitioners, who are hands on the specific building projects. The local scale provides an in......-depth study of how specific practitioners, such as local planning authorities, building firms, building developers, technical experts and suppliers, interact and coordinate their efforts in the local arena of a specific building project (within a more general framework). The focus on the local scale allows...

  6. Efficient spin transitions in inelastic electron tunneling spectroscopy.

    Science.gov (United States)

    Lorente, Nicolás; Gauyacq, Jean-Pierre

    2009-10-23

    The excitation of the spin degrees of freedom of an adsorbed atom by tunneling electrons is computed using strong coupling theory. Recent measurements [Heinrich, Science 306, 466 (2004)] reveal that electron currents in a magnetic system efficiently excite its magnetic moments. Our theory shows that the incoming electron spin strongly couples with that of the adsorbate so that memory of the initial spin state is lost, leading to large excitation efficiencies. First-principles transmissions are evaluated in quantitative agreement with the experiment.

  7. Vibrational nonadiabaticity and tunneling effects in transition state theory

    International Nuclear Information System (INIS)

    Marcus, R.A.

    1979-01-01

    The usual quantum mechanical derivation of transition state theory is a statistical one (a quasi-equilibrium is assumed) or dynamical. The typical dynamical one defines a set of internal states and assumes vibrational adiabaticity. Effects of nonadiabaticity before and after the transition state are included in the present derivation, assuming a classical treatment of the reaction coordinate. The relation to a dynamical derivation of classical mechanical transition state theory is described, and tunneling effects are considered

  8. Municipalities and energy efficiency in countries in transition

    International Nuclear Information System (INIS)

    Rezessy, Silvia; Dimitrov, Konstantin; Urge-Vorsatz, Diana; Baruch, Seth

    2006-01-01

    It is widely recognized that many cost-efficient opportunities to employ end-use energy efficiency measures exist in countries in transition (CITs) and that municipal authorities have an essential role to play in capturing these opportunities. The aim of this paper is to review the factors that determine the degree of involvement of local authorities in the market for energy services and energy efficient (EE) equipment in three CITs: Bulgaria, Hungary and the Former Yugoslav Republic of Macedonia (hereafter: Macedonia). We achieve this aim by examining the current status of local governments as the most powerful determinant of municipal market involvement. Two broad groups of factors are discussed: statutory obligations and powers of local governments, especially energy-related tasks, and finance. We explain how specific features within these two areas may influence the motivation of local authorities to improve energy efficiency and their capacity to do so. We argue that greater decentralization is the first step in augmenting the role of local authorities in the market for energy services and EE equipment. Based on the analysis we give recommendations on how to encourage municipal authorities to use market mechanisms more extensively to deliver energy efficiency

  9. M1 transitions between superdeformed states in 195Tl

    International Nuclear Information System (INIS)

    Zheng Xing; Xingqu Chen; Xiaochun Wang

    1996-01-01

    Using a triaxial-particle-rotor model, the quadrupole and dipole transition energies, kinematic and dynamic moments of inertia, electromagnetic transition probabilities and the relative intensity of the E2 γ-transitions are calculated for superdeformed bands in 195 Tl. A strong perturbation effect of rotation on transition energies and M1 and E2 transitions of superdeformed states is investigated. The total M1 transitions, enhanced by internal conversion, are expected to compete strongly with the E2 γ-ray at low spins in the superdeformed 195 Tl nucleus. (author)

  10. Fluctuating States: What is the Probability of a Thermodynamical Transition?

    Directory of Open Access Journals (Sweden)

    Álvaro M. Alhambra

    2016-10-01

    Full Text Available If the second law of thermodynamics forbids a transition from one state to another, then it is still possible to make the transition happen by using a sufficient amount of work. But if we do not have access to this amount of work, can the transition happen probabilistically? In the thermodynamic limit, this probability tends to zero, but here we find that for finite-sized and quantum systems it can be finite. We compute the maximum probability of a transition or a thermodynamical fluctuation from any initial state to any final state and show that this maximum can be achieved for any final state that is block diagonal in the energy eigenbasis. We also find upper and lower bounds on this transition probability, in terms of the work of transition. As a by-product, we introduce a finite set of thermodynamical monotones related to the thermomajorization criteria which governs state transitions and compute the work of transition in terms of them. The trade-off between the probability of a transition and any partial work added to aid in that transition is also considered. Our results have applications in entanglement theory, and we find the amount of entanglement required (or gained when transforming one pure entangled state into any other.

  11. Efficient photocarrier injection in a transition metal oxide heterostructure

    CERN Document Server

    Muraoka, Y; Ueda, Y; Hiroi, Z

    2002-01-01

    An efficient method for doping a transition metal oxide (TMO) with hole carriers is presented: photocarrier injection (PCI) in an oxide heterostructure. It is shown that an insulating vanadium dioxide (VO sub 2) film is rendered metallic under light irradiation by PCI from an n-type titanium dioxide (TiO sub 2) substrate doped with Nb. Consequently, a large photoconductivity, which is exceptional for TMOs, is found in the VO sub 2 /TiO sub 2 :Nb heterostructure. We propose an electronic band structure where photoinduced holes created in TiO sub 2 :Nb can be transferred into the filled V 3d band via the low-lying O 2p band of VO sub 2. (letter to the editor)

  12. A Quantum Version of Wigner's Transition State Theory

    NARCIS (Netherlands)

    Schubert, R.; Waalkens, H.; Wiggins, S.

    A quantum version of a recent realization of Wigner's transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in (h) over bar. This leads to an explicit

  13. A Quantum Version of Wigner’s Transition State Theory

    NARCIS (Netherlands)

    Schubert, R.; Waalkens, H.; Wiggins, S.

    2009-01-01

    A quantum version of a recent realization of Wigner’s transition state theory in phase space is presented. The theory developed builds on a quantum normal form which locally decouples the quantum dynamics near the transition state to any desired order in ħ. This leads to an explicit algorithm to

  14. The Variable Transition State in Polar Additions to Pi Bonds

    Science.gov (United States)

    Weiss, Hilton M.

    2010-01-01

    A vast majority of polar additions of Bronsted acids to alkynes involve a termolecular transition state. With strong acids, considerable positive charge is developed on carbon and Markovnikov addition predominates. In less acidic solutions, however, the reaction is much slower and the transition state more closely resembles the olefinic product.…

  15. Finite Correlation Length Implies Efficient Preparation of Quantum Thermal States

    Science.gov (United States)

    Brandão, Fernando G. S. L.; Kastoryano, Michael J.

    2018-05-01

    Preparing quantum thermal states on a quantum computer is in general a difficult task. We provide a procedure to prepare a thermal state on a quantum computer with a logarithmic depth circuit of local quantum channels assuming that the thermal state correlations satisfy the following two properties: (i) the correlations between two regions are exponentially decaying in the distance between the regions, and (ii) the thermal state is an approximate Markov state for shielded regions. We require both properties to hold for the thermal state of the Hamiltonian on any induced subgraph of the original lattice. Assumption (ii) is satisfied for all commuting Gibbs states, while assumption (i) is satisfied for every model above a critical temperature. Both assumptions are satisfied in one spatial dimension. Moreover, both assumptions are expected to hold above the thermal phase transition for models without any topological order at finite temperature. As a building block, we show that exponential decay of correlation (for thermal states of Hamiltonians on all induced subgraphs) is sufficient to efficiently estimate the expectation value of a local observable. Our proof uses quantum belief propagation, a recent strengthening of strong sub-additivity, and naturally breaks down for states with topological order.

  16. Parameter optimization for transitions between memory states in small arrays of Josephson junctions

    Energy Technology Data Exchange (ETDEWEB)

    Rezac, Jacob D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computing and Computational Sciences Directorate; Univ. of Delaware, Newark, DE (United States). Dept. of Mathematical Sciences; Imam, Neena [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computing and Computational Sciences Directorate; Braiman, Yehuda [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computing and Computational Sciences Directorate; ; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Mechanical, Aerospace, and Biomedical Engineering

    2017-01-11

    Coupled arrays of Josephson junctions possess multiple stable zero voltage states. Such states can store information and consequently can be utilized for cryogenic memory applications. Basic memory operations can be implemented by sending a pulse to one of the junctions and studying transitions between the states. In order to be suitable for memory operations, such transitions between the states have to be fast and energy efficient. Here in this article we employed simulated annealing, a stochastic optimization algorithm, to study parameter optimization of array parameters which minimizes times and energies of transitions between specifically chosen states that can be utilized for memory operations (Read, Write, and Reset). Simulation results show that such transitions occur with access times on the order of 10–100 ps and access energies on the order of 10-19–5×10-18 J. Numerical simulations are validated with approximate analytical results.

  17. Localized-to-extended-states transition below the Fermi level

    Science.gov (United States)

    Tito, M. A.; Pusep, Yu. A.

    2018-05-01

    Time-resolved photoluminescence is employed to examine a transition from localized to extended electron states below the Fermi level in multiple narrow quantum well GaAs/AlGaAs heterostructures, where disorder was generated by interface roughness. Such a transition resembles the metal-insulator transition profoundly investigated by electric transport measurements. An important distinction distinguishes the localized-to-extended-states transition studied here: it takes place below the Fermi level in an electron system with a constant concentration, which implies unchanging Coulomb correlations. Moreover, for such a localized-to-extended-states transition the temperature is shown to be irrelevant. In the insulating regime the magnetic field was found to cause an additional momentum relaxation which considerably enhanced the recombination rate. Thus, we propose a method to explore the evolution of the localized electron states in a system with a fixed disorder and Coulomb interaction.

  18. Magnetic Ground State Properties of Transition Metals

    DEFF Research Database (Denmark)

    Andersen, O. K.; Madsen, J.; Poulsen, U. K.

    1977-01-01

    We review a simple one-electron theory of the magnetic and cohesive properties of ferro- and nearly ferromagnetic transition metals at 0 K. The theory is based on the density functional formalism, it makes use of the local spin density and atomic sphere approximations and it may, with further app...

  19. Intelligent sector coupling. Efficient energy transition; Intelligente Sektorkopplung. Effiziente Energiewende

    Energy Technology Data Exchange (ETDEWEB)

    Kamphues, Stephan

    2017-04-15

    The transformation process of the German energy industry is advancing. The power line and storage infrastructure still appears to be very neglected. The 2050 climate protection plan, but also the EU winter package, is an all-electric approach despite sector-specific targets. In addition to the exorbitant expansion requirements for renewables, infrastructures with enormous transport and storage potential are ''given away''. As in the interview with OGE CEO Stephan Kamphues becomes clear, an efficient energy transition requires an intelligent coupling of different sectors and infrastructures, ultimately even perhaps network convergence. [German] Der Transformationsprozess der deutschen Energiewirtschaft schreitet voran. Immer noch stark vernachlaessigt erscheint die Leitungs- und Speicherinfrastruktur. Dem Klimaschutzplan 2050, aber auch dem EU-Winterpaket wohnt trotz sektorspezifischer Ziele ein all electric-Ansatz inne. Neben exorbitantem Ausbaubedarf an Erneuerbaren ''verschenkt'' man damit Infrastrukturen mit riesigem Transport- und Speicherpotenzial. Wie im Interview mit OGE-Geschaeftsfuehrer Stephan Kamphues deutlich wird, erfordert eine effiziente Energiewende eine intelligente Kopplung verschiedener Sektoren und Infrastrukturen, letztendlich vielleicht sogar Netzkonvergenz.

  20. Observation of Hyperfine Transitions in Trapped Ground-State Antihydrogen

    CERN Document Server

    Olin, Arthur

    2015-01-01

    This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4~parts~in~$10^3$. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.

  1. Observation of hyperfine transitions in trapped ground-state antihydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Collaboration: A. Olin for the ALPHA Collaboration

    2015-08-15

    This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4 parts in 10{sup 3}. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.

  2. Quantifying the limits of transition state theory in enzymatic catalysis.

    Science.gov (United States)

    Zinovjev, Kirill; Tuñón, Iñaki

    2017-11-21

    While being one of the most popular reaction rate theories, the applicability of transition state theory to the study of enzymatic reactions has been often challenged. The complex dynamic nature of the protein environment raised the question about the validity of the nonrecrossing hypothesis, a cornerstone in this theory. We present a computational strategy to quantify the error associated to transition state theory from the number of recrossings observed at the equicommittor, which is the best possible dividing surface. Application of a direct multidimensional transition state optimization to the hydride transfer step in human dihydrofolate reductase shows that both the participation of the protein degrees of freedom in the reaction coordinate and the error associated to the nonrecrossing hypothesis are small. Thus, the use of transition state theory, even with simplified reaction coordinates, provides a good theoretical framework for the study of enzymatic catalysis. Copyright © 2017 the Author(s). Published by PNAS.

  3. Quantum catalysis : the modelling of catalytic transition states

    NARCIS (Netherlands)

    Hall, M.B.; Margl, P.; Naray-Szabo, G.; Schramm, Vern; Truhlar, D.G.; Santen, van R.A.; Warshel, A.; Whitten, J.L.; Truhlar, D.G.; Morokuma, K.

    1999-01-01

    A review with 101 refs.; we present an introduction to the computational modeling of transition states for catalytic reactions. We consider both homogeneous catalysis and heterogeneous catalysis, including organometallic catalysts, enzymes, zeolites and metal oxides, and metal surfaces. We summarize

  4. Visualization of the Differential Transition State Stabilization within the Active Site Environment

    Directory of Open Access Journals (Sweden)

    Jerzy Leszczynski

    2004-05-01

    Full Text Available Abstract: Increasing interest in the enzymatic reaction mechanisms and in the nature of catalytic effects in enzymes causes the need of appropriate visualization methods. A new interactive method to investigate catalytic effects using differential transition state stabilization approach (DTSS [1, 2] is presented. The catalytic properties of the active site of cytidine deaminase (E.C. 3.5.4.5 is visualized in the form of differential electrostatic properties. The visualization was implemented using scripting interface of VMD [3]. Cumulative Atomic Multipole Moments (CAMM [4,5,6] were utilized for efficient yet accurate evaluation of the electrostatic properties. The implementation is efficient enough for interactive presentation of catalytic effects in the active site of the enzyme due to transition state or substrate movement. This system of visualization of DTTS approach can be potentially used to validate hypotheses regarding the catalytic mechanism or to study binding properties of transition state analogues.

  5. Gamma transitions between compound states in spherical nuclei

    International Nuclear Information System (INIS)

    Kadmenskij, S.G.; Markushev, V.P.; Furman, V.I.

    1980-01-01

    Average values of the reduced γ widths and their dispersions are investigated, basing on the Wigner statistical matrix method, for γ transitions from a compound state c into a less-energy excited state f of an arbitrary complexity in spherical nuclei. It is shown that in all the cases of practical interest the Porter-Thomas distribution is valid for the γ widths. It is found that in the γ transitions between compound states c and c' with Esub(γ) <= 2 MeV the dominating role is played by the M1 transitions due to the main multiquasiparticle states of c, and by the E1 transitions, due to small components of the state c. In framework of the existent theoretical schemes it is shown that the strength functions of the M1 and E1 transitions between the compound states with Esub(γ) <2 MeV are close. It is deduced thet the variant of the M1 transitions is preferable in view of the experimental results on the (n, γα) reactions induced by thermal and resonance neutrons

  6. Transit and radial velocity survey efficiency comparison for a habitable zone Earth

    International Nuclear Information System (INIS)

    Burke, Christopher J.; McCullough, P. R.

    2014-01-01

    Transit and radial velocity searches are two techniques for identifying nearby extrasolar planets to Earth that transit bright stars. Identifying a robust sample of these exoplanets around bright stars for detailed atmospheric characterization is a major observational undertaking. In this study we describe a framework that answers the question of whether a transit or radial velocity survey is more efficient at finding transiting exoplanets given the same amount of observing time. Within the framework we show that a transit survey's window function can be approximated using the hypergeometric probability distribution. We estimate the observing time required for a transit survey to find a transiting Earth-sized exoplanet in the habitable zone (HZ) with an emphasis on late-type stars. We also estimate the radial velocity precision necessary to detect the equivalent HZ Earth-mass exoplanet that also transits when using an equal amount of observing time as the transit survey. We find that a radial velocity survey with σ rv ∼ 0.6 m s –1 precision has comparable efficiency in terms of observing time to a transit survey with the requisite photometric precision σ phot ∼ 300 ppm to find a transiting Earth-sized exoplanet in the HZ of late M dwarfs. For super-Earths, a σ rv ∼ 2.0 m s –1 precision radial velocity survey has comparable efficiency to a transit survey with σ phot ∼ 2300 ppm.

  7. Densification and state transition across the Missouri Ozarks landscape

    Science.gov (United States)

    Brice B. Hanberry; John M. Kabrick; Hong S. He

    2014-01-01

    World-wide, some biomes are densifying, or increasing in dense woody vegetation, and shifting to alternative stable states. We quantified densification and state transition between forests ecosystems in historical (ca. 1815-1850) and current (2004-2008) surveys of the Missouri Ozark Highlands, a 5-million ha landscape in southern Missouri, USA. To estimate density of...

  8. GENESIS - The GENEric SImulation System for Modelling State Transitions.

    Science.gov (United States)

    Gillman, Matthew S

    2017-09-20

    This software implements a discrete time Markov chain model, used to model transitions between states when the transition probabilities are known a priori . It is highly configurable; the user supplies two text files, a "state transition table" and a "config file", to the Perl script genesis.pl. Given the content of these files, the script generates a set of C++ classes based on the State design pattern, and a main program, which can then be compiled and run. The C++ code generated is based on the specification in the text files. Both multiple branching and bi-directional transitions are allowed. The software has been used to model the natural histories of colorectal cancer in Mexico. Although written primarily to model such disease processes, it can be used in any process which depends on discrete states with known transition probabilities between those states. One suitable area may be in environmental modelling. A test suite is supplied with the distribution. Due to its high degree of configurability and flexibility, this software has good re-use potential. It is stored on the Figshare repository.

  9. A Semi-Continuous State-Transition Probability HMM-Based Voice Activity Detector

    Directory of Open Access Journals (Sweden)

    H. Othman

    2007-02-01

    Full Text Available We introduce an efficient hidden Markov model-based voice activity detection (VAD algorithm with time-variant state-transition probabilities in the underlying Markov chain. The transition probabilities vary in an exponential charge/discharge scheme and are softly merged with state conditional likelihood into a final VAD decision. Working in the domain of ITU-T G.729 parameters, with no additional cost for feature extraction, the proposed algorithm significantly outperforms G.729 Annex B VAD while providing a balanced tradeoff between clipping and false detection errors. The performance compares very favorably with the adaptive multirate VAD, option 2 (AMR2.

  10. A Semi-Continuous State-Transition Probability HMM-Based Voice Activity Detector

    Directory of Open Access Journals (Sweden)

    Othman H

    2007-01-01

    Full Text Available We introduce an efficient hidden Markov model-based voice activity detection (VAD algorithm with time-variant state-transition probabilities in the underlying Markov chain. The transition probabilities vary in an exponential charge/discharge scheme and are softly merged with state conditional likelihood into a final VAD decision. Working in the domain of ITU-T G.729 parameters, with no additional cost for feature extraction, the proposed algorithm significantly outperforms G.729 Annex B VAD while providing a balanced tradeoff between clipping and false detection errors. The performance compares very favorably with the adaptive multirate VAD, option 2 (AMR2.

  11. State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State.

    Science.gov (United States)

    Zhao, Bin; Sun, Zhigang; Guo, Hua

    2015-12-23

    Energy flow and sequestration at the state-to-state level are investigated for a prototypical four-atom reaction, H2 + OH → H + H2O, using a transition-state wave packet (TSWP) method. The product state distribution is found to depend strongly on the reactant vibrational excitation, indicating mode specificity at the state-to-state level. From a local-mode perspective, it is shown that the vibrational excitation of the H2O product derives from two different sources, one attributable to the energy flow along the reaction coordinate into the newly formed OH bond and the other due to the sequestration of the vibrational energy in the OH spectator moiety during the reaction. The analysis provided a unified interpretation of some seemingly contradicting experimental observations. It is further shown that the transfer of vibrational energy from the OH reactant to H2O product is gated by the transition state, accomplished coherently by multiple TSWPs with the corresponding OH vibrational excitation.

  12. State transitions, hysteresis, and control parameters on DIII-D

    International Nuclear Information System (INIS)

    Thomas, D.M.; Groebner, R.J.; Carlstrom, T.N.; Osborne, T.H.; Petrie, T.W.

    1998-07-01

    The theory of turbulence decorrelation by ExB velocity shear is the leading candidate to explain the changes in turbulence and transport that are seen at the plasma edge at the L to H transition. Based on this, a key question is: What are the conditions or control parameters needed to begin the formation of the E r shear layer and thus trigger the L to H transition? On the DIII-D tokamak, the authors are attacking this question both through direct tests of the various theories and by trying to gain insight into the fundamental physics by investigating the control parameters which have a major effect on the power threshold. In this paper the authors describe results of studies on oscillating discharges where the plasma transitions continuously between L and H states. By following the dynamics of the plasma state through the forward and back transitions, they can represent the evolution of various control parameter candidates as a trajectory in various parametric spaces. The shape of these control curves can illustrate the specific nonlinearities governing the L-H transition problem, and under the proper conditions may be interpreted in the context of various phase-transition based models. In particular, the hysteresis exhibited in the various curves may help to clarify causality (what are the critical parameters) and may serve as tests of the models, given sufficient experimental accuracy. At present they are looking at T e , E r and ballooning/diamagnetic parameters as possible control parameter candidates

  13. Energy Efficiency and Urban Renewal in the Economies in Transition

    International Nuclear Information System (INIS)

    Brendow, K.

    1997-01-01

    The Paper notes the importance of energy consumption in agglomerations (65-70% in the economies in transition) and of related emissions. It assesses the technical and cost-effective potential for a 40% and more decrease in urban energy intensities and SO 2 /NO x emissions by 2020, resulting from a systematic approach to urban as well as energy planning. Compared to approaches worldwide, urban energy renewal in the economies in transition appears, as its beginning, characterized by a traditional focus on existing technological supply sub-systems such as district heating and co-generation. The obstacles to a more systematic approach, including demand side management, are slow progress in urban and energy reforms and a lack of acquaintance with modern planning tools. International cooperation is incommensurate with the long-term challenge of s ustainable urban development . (author)

  14. To invest efficiently for a successful energy transition

    International Nuclear Information System (INIS)

    Beutier, Didier

    2017-01-01

    As the primary objective of any energy policy is now to reduce carbon dioxide emissions, i.e. to reduce the consumption of all carbonated fuels (coal, oil, gas) in all sectors, and to substitute them with electricity produced from nuclear and renewable sources, and all this under a double constraint (that of consumers, and that of public finances), this article aims at discussing whether the French policy defined by the law on energy transition for a green growth is able to face and meet these priorities. The author outlines that the struggle against greenhouse gas emissions in France mainly concerns the transport and heating sectors. He discusses drawbacks associated with a transition mainly focussed on electric power generation by wind and solar energy: these drawbacks concern the required and actual production level, necessary high investments, and the protection of the environment. He proposes four areas of development for a successful transition: electric transport, energy storage, power-to-gas conversion, and housing thermal insulation

  15. Lithuanian health care in transitional state: ethical problems

    Directory of Open Access Journals (Sweden)

    Žekas Romualdas

    2005-11-01

    Full Text Available Abstract Background Throughout the economic and political reforms in post-communist countries, significant changes have also occurred in public morality. One of the tasks of the Lithuanian health policy is to create mechanisms for strengthening the significance of ethical considerations in the decision-making processes concerning health care of individuals and groups of individuals, as well as considering the positions of physicians and the health care system itself in a general way. Thus, health care ethics could be analyzed at two levels: the micro level (the ethics of doctor-patient relationships and the macro level (the ethics of health policy-making, which can be realized by applying the principles of equal access, reasonable quality, affordable care and shared responsibilities. To date, the first level remains dominant, but the need arises for our attention to refocus now from the micro level to the patterns of managing and delivering care, managing the health care resources, and conducting business practices. Discussion In attempting to increase the efficiency of health services in Lithuania, a common strategy has been in place for the last fifteen years. Decentralization and privatization have been implemented as part of its policy to achieve greater efficiency. Although decentralization in theory is supposed to improve efficiency, in practice the reform of decentralization has still to be completely implemented in Lithuania. Debates on health policy in Lithuania also include the issue of private versus public health care. Although the approach of private health care is changing in a positive way, it is obvious that reduced access to health services is the most vulnerable aspect. In the Lithuanian Health Program adopted in July 1998, the target of equity was stressed, stating that by 2010, differences in health and health care between various socio-economic groups should be reduced by 25%. Summary The restructuring of health care system

  16. Lithuanian health care in transitional state: ethical problems.

    Science.gov (United States)

    Jakusovaite, Irayda; Darulis, Zilvinas; Zekas, Romualdas

    2005-11-09

    Throughout the economic and political reforms in post-communist countries, significant changes have also occurred in public morality. One of the tasks of the Lithuanian health policy is to create mechanisms for strengthening the significance of ethical considerations in the decision-making processes concerning health care of individuals and groups of individuals, as well as considering the positions of physicians and the health care system itself in a general way. Thus, health care ethics could be analyzed at two levels: the micro level (the ethics of doctor-patient relationships) and the macro level (the ethics of health policy-making, which can be realized by applying the principles of equal access, reasonable quality, affordable care and shared responsibilities). To date, the first level remains dominant, but the need arises for our attention to refocus now from the micro level to the patterns of managing and delivering care, managing the health care resources, and conducting business practices. In attempting to increase the efficiency of health services in Lithuania, a common strategy has been in place for the last fifteen years. Decentralization and privatization have been implemented as part of its policy to achieve greater efficiency. Although decentralization in theory is supposed to improve efficiency, in practice the reform of decentralization has still to be completely implemented in Lithuania. Debates on health policy in Lithuania also include the issue of private versus public health care. Although the approach of private health care is changing in a positive way, it is obvious that reduced access to health services is the most vulnerable aspect. In the Lithuanian Health Program adopted in July 1998, the target of equity was stressed, stating that by 2010, differences in health and health care between various socio-economic groups should be reduced by 25%. The restructuring of health care system in Lithuania should be based on a balance between

  17. Energy efficiency. Lever for the German energy transition

    International Nuclear Information System (INIS)

    Persem, Melanie; Roesner, Sven

    2014-05-01

    This document provides some key data on energy consumption in housing and public buildings, indicates the national German objectives in terms of reduction of energy consumption, of reduction of electricity consumption, of energy efficiency, and of evolution of energy consumption in housing and public buildings and in the transport sector. It gives some data related to energy saving and achievements: energy efficiency of the German economy, improvements in housing energy efficiency and insulation, financial support for low income households, reduction of energy consumption within small-medium enterprises, the public sector, the data processing sector and public lighting, and energy saving potential by renewal of public buildings. It indicates the main measures and arrangements: information, support programs for enterprises, local communities and individuals. A graph illustrates a comparison of shares of household power consumption in France and in Germany

  18. Operational Efficiency of Public Transport System in Kwara State ...

    African Journals Online (AJOL)

    Operational Efficiency of Public Transport System in Kwara State, Nigeria. ... The paper examines the operations of Public Transport in Nigeria using the Kwara State Transport Service as a case study. ... EMAIL FULL TEXT EMAIL FULL TEXT

  19. Efficient numerical simulation of the deflagration-to-detonation transition

    International Nuclear Information System (INIS)

    Ettner, Florian Anton

    2013-01-01

    In order to improve safety analyses of nuclear power plants, it is necessary to investigate if hydrogen-air mixtures (created in severe accidents) burn in a deflagrative manner or whether a deflagration-to-detonation transition (DDT) occurs. In this work a CFD solver has been developed for the simulation of a complete combustion process including DDT. The density-based solver incorporates a deflagration model and an auto-ignition model which are coupled via a progress variable. The application to both homogeneous and inhomogeneous mixtures shows very good agreement with experiments. Depending on the boundary conditions the presence of a hydrogen concentration gradient can either increase or decrease the probability of DDT when compared to a homogeneous mixture. Under certain circumstances extremely high pressure loads occur even in areas of low hydrogen content. This should be taken into consideration in future safety analyses.

  20. Rebuilding Romania. Energy, efficiency and the economic transition

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, W [Royal Inst. of International Affairs, London (United Kingdom)

    1994-12-31

    Energy will be a crucial factor in the successful recreation of a democratic society based on a market economy in Romania, following the overthrow in 1989 of the Ceausescu dictatorship. This study focuses on energy efficiency and end-use, rather than the supply of fuels and electricity, and is written by a team of senior Romanian energy specialists, who describe the country`s existing energy systems, and their potential for improved use, including international cooperation for mutual benefit. (UK)

  1. Boundary layer turbulence in transitional and developed states

    Science.gov (United States)

    Park, George Ilhwan; Wallace, James M.; Wu, Xiaohua; Moin, Parviz

    2012-03-01

    Using the recent direct numerical simulations by Wu and Moin ["Transitional and turbulent boundary layer with heat transfer," Phys. Fluids 22, 85 (2010)] of a flat-plate boundary layer with a passively heated wall, statistical properties of the turbulence in transition at Reθ ≈ 300, from individual turbulent spots, and at Reθ ≈ 500, where the spots merge (distributions of the mean velocity, Reynolds stresses, kinetic energy production, and dissipation rates, enstrophy and its components) have been compared to these statistical properties for the developed boundary layer turbulence at Reθ = 1840. When the distributions in the transitional regions are conditionally averaged so as to exclude locations and times when the flow is not turbulent, they closely resemble the distributions in the developed turbulent state at the higher Reynolds number, especially in the buffer layer. Skin friction coefficients, determined in this conditional manner at the two Reynolds numbers in the transitional flow are, of course, much larger than when their values are obtained by including both turbulent and non-turbulent information there, and the conditional averaged values are consistent with the 1/7th power law approximation. An octant analysis based on the combinations of signs of the velocity and temperature fluctuations, u, v, and θ shows that the momentum and heat fluxes are predominantly of the mean gradient type in both the transitional and developed regions. The fluxes appear to be closely associated with vortices that transport momentum and heat toward and away from the wall in both regions of the flow. The results suggest that there may be little fundamental difference between the nonlinear processes involved in the formation of turbulent spots that appear in transition and those that sustain the turbulence when it is developed. They also support the view that the transport processes and the vortical structures that drive them in developed and transitional boundary

  2. Federal and state benefits for transition age youth.

    Science.gov (United States)

    Altman, Stephanie; O'Connor, Sarah; Anapolsky, Ellyce; Sexton, Laura

    2014-01-01

    While all children face challenges as they become adults, children with chronic medical conditions or disabilities face unique barriers in their transition to adulthood. Children, especially those who are low income and have special needs, are eligible for a range of supports including income supports, health care coverage, vocational and educational supports. These supports are critical to sound health because they ensure access to necessary medical services, while also offsetting the social determinants that negatively affect health. Unfortunately, as children transition into adulthood, eligibility for these benefits can change abruptly or even end entirely. If medical providers have a better understanding of five transition key dates, they can positively impact their patients' health by ensuring continuous coverage through the transition to adulthood. The key dates are as follows: (1) transition services for students with an Individualized Education Program (IEP) must begin by age 16 (in some states such as Illinois, these services must be in place by age 14 1/2); (2) at age 18, eligibility for income supports may change; (3) at age 19, eligibility for Medicaid may change; (4) at graduation, eligibility for educational supports will end unless steps are taken to extend those benefits until age 22; and (5) when individuals prepare to enter the workforce, they will become eligible for vocational rehabilitation services. With an understanding of these key transition dates and how to partner with social services and advocacy organizations on behalf of their patients, medical providers can help to ensure that transition-age patients retain the holistic social services and supports they need to protect their health.

  3. Antiferrodistortive phase transitions and ground state of PZT ceramics

    International Nuclear Information System (INIS)

    Pandey, Dhananjai

    2013-01-01

    The ground state of the technologically important Pb(Zr x Ti (1-x) )O 3 , commonly known as PZT, ceramics is currently under intense debate. The phase diagram of this material shows a morphotropic phase boundary (MPB) for x∼0.52 at 300K, across which a composition induced structural phase transition occurs leading to maximization of the piezoelectric properties. In search for the true ground state of the PZT in the MPB region, Beatrix Noheda and coworkers first discovered a phase transition from tetragonal (space group P4mm) to an M A type monoclinic phase (space group Cm) at low temperatures for x=0.52. Soon afterwards, we discovered yet another low temperature phase transition for the same composition in which the M A type (Cm) monoclinic phase transforms to another monoclinic phase with Cc space group. We have shown that the Cm to Cc phase transition is an antiferrodistortive (AFD) transition involving tilting of oxygen octahedra leading to unit cell doubling and causing appearance of superlattice reflections which are observable in the electron and neutron diffraction patterns only and not in the XRD patterns, as a result of which Noheda and coworkers missed the Cc phase in their synchrotron XRD studies at low temperatures. Our findings were confirmed by leading groups using neutron, TEM, Raman and high pressure diffraction studies. The first principles calculations also confirmed that the true ground state of PZT in the MPB region has Cc space group. However, in the last couple of years, the Cc space group of the ground state has become controversial with an alternative proposal of R3c as the space group of the ground state phase which is proposed to coexist with the metastable Cm phase. In order to resolve this controversy, we recently revisited the issue using pure PZT and 6% Sr 2+ substituted PZT, the latter samples show larger tilt angle on account of the reduction in the average cationic radius at the Pb 2+ site. Using high wavelength neutrons and high

  4. Optimal control of transitions between nonequilibrium steady states.

    Directory of Open Access Journals (Sweden)

    Patrick R Zulkowski

    Full Text Available Biological systems fundamentally exist out of equilibrium in order to preserve organized structures and processes. Many changing cellular conditions can be represented as transitions between nonequilibrium steady states, and organisms have an interest in optimizing such transitions. Using the Hatano-Sasa Y-value, we extend a recently developed geometrical framework for determining optimal protocols so that it can be applied to systems driven from nonequilibrium steady states. We calculate and numerically verify optimal protocols for a colloidal particle dragged through solution by a translating optical trap with two controllable parameters. We offer experimental predictions, specifically that optimal protocols are significantly less costly than naive ones. Optimal protocols similar to these may ultimately point to design principles for biological energy transduction systems and guide the design of artificial molecular machines.

  5. Communication: Electronic flux induced by crossing the transition state

    Science.gov (United States)

    Jia, Dongming; Manz, Jörn; Yang, Yonggang

    2018-01-01

    We present a new effect of chemical reactions, e.g., isomerizations, that occurs when the reactants pass along the transition state, on the way to products. It is based on the well-known fact that at the transition state, the electronic structure of one isomer changes to the other. We discover that this switch of electronic structure causes a strong electronic flux that is well distinguishable from the usual flux of electrons that travel with the nuclei. As a simple but clear example, the effect is demonstrated here for bond length isomerization of Na2 (21Σu+), with adiabatic crossing the barrier between the inner and outer wells of the double minimum potential that support different "Rydberg" and "ionic" type electronic structures, respectively.

  6. Charge states of ions, and mechanisms of charge ordering transitions

    Science.gov (United States)

    Pickett, Warren E.; Quan, Yundi; Pardo, Victor

    2014-07-01

    To gain insight into the mechanism of charge ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2Mn+→M(n+1)+ + M(n-1)+, we (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new results for the putative charge ordering compound AgNiO2 and the dual charge state insulator AgO, and (3) analyze the cationic occupations of the actual (not formal) charge, and work to reconcile the conundrums that arise. We establish that several of the clearest cases of charge ordering transitions involve no disproportion (no charge transfer between the cations, and hence no charge ordering), and that the experimental data used to support charge ordering can be accounted for within density functional-based calculations that contain no charge transfer between cations. We propose that the charge state picture retains meaning and importance, at least in many cases, if one focuses on Wannier functions rather than atomic orbitals. The challenge of modeling charge ordering transitions with model Hamiltonians isdiscussed.

  7. CNE'96: National Energy Conference 'Improving Energy Efficiency in a Transition Economy'. Proceedings

    International Nuclear Information System (INIS)

    Petrescu, M.; Balan, Gh.; Zlatanovici, D.

    1996-01-01

    Every two years a national conference on energy is held in Romania under the auspices of Romanian Electricity Authority (RENEL). The CNC'96 Conference entitled 'Improving Energy Efficiency in a Transition Economy' has taken place in the Black Sea resort Neptun-Olimp, on September 1-5, 1996. The conference was divided in 8 sections covering the subjects: 1) Energy policies and strategies - Financing of refurbishment and development; 2) Clean and efficient technologies of the fossil fuels - Renewable energy sources; 3) Rehabilitation - Retrofitting of power facilities; 4) Nuclear Power; 5) Predictive and preventive maintenance technologies; 6) Management and process information systems; 7) Environment conservation and mitigating measures; and 8) Energy end-use. An opening talk was given by V.Romert, the Director General of RENEL, and keynote addresses were presented by I.Lindsay, WEC Secretary General (Energy in an era of change and the WEC within it), by J.E.Gray, Vice Chairman of the Atlantic Council of the United States (Global Energy Outlook), and by F.Meslier, Director of the EDF East Energy Unit, Ile de France and Chairman of the 37 Study Committee of CIGRE (Quelques evolutions recentes de la CIGRE et de son Comite 37). (M.C.)

  8. Transitional millisecond pulsars in the low-level accretion state

    Science.gov (United States)

    Jaodard, Amruta D.; Hessels, Jason W. T.; Archibald, Anne; Bogdanov, Slavko; Deller, Adam; Hernandez Santisteban, Juan; Patruno, Alessandro; D'Angelo, Caroline; Bassa, Cees; Amruta Jaodand

    2018-01-01

    In the canonical pulsar recycling scenario, a slowly spinning neutron star can be rejuvenated to rapid spin rates by the transfer of angular momentum and mass from a binary companion star. Over the last decade, the discovery of three transitional millisecond pulsars (tMSPs) has allowed us to study recycling in detail. These systems transition between accretion-powered (X-ray) and rotation-powered (radio) pulsar states within just a few days, raising questions such as: what triggers the state transition, when does the recycling process truly end, and what will the radio pulsar’s final spin rate be? Systematic multi-wavelength campaigns over the last decade have provided critical insights: multi-year-long, low-level accretion states showing coherent X-ray pulsations; extremely stable, bi-modal X-ray light curves; outflows probed by radio continuum emission; a surprising gamma-ray brightening during accretion, etc. In my thesis I am trying to bring these clues together to understand the low-level accretion process that recycles a pulsar. For example, recently we timed PSR J1023+0038 in the accretion state and found it to be spinning down ~26% faster compared to the non-accreting radio pulsar state. We are currently conducting simultaneous multi-wavelength campaigns (XMM, HST, Kepler and VLA) to understand the global variability of the accretion flow, as well as high-energy Fermi-LAT observations to probe the gamma-ray emission mechanism. I will highlight these recent developments, while also presenting a broad overview of tMSPs as exciting new laboratories to test low-level accretion onto magnetized neutron stars.

  9. A United States regulator's perspective on the ongoing chlorofluorocarbon transition.

    Science.gov (United States)

    Meyer, R J

    1999-12-01

    The Food and Drug Administration (FDA) put in place a general ban on the use of chlorofluorocarbons for the products it regulates (medical devices, drugs, and foods) in 1978, exempting those products where chlorofluorocarbon use was determined to be essential for the public health. In the intervening years, as the international commitment to a full transition away from all chlorofluorocarbon use took shape under the Montreal Protocol, the FDA has worked with industry to facilitate the development and testing of alternative technologies and products for inhalation drug products. As these alternative products begin to move from testing through the approval process and into marketing, the FDA is working collaboratively with the Environmental Protection Agency, other governmental agencies, and nongovernmental stakeholders to develop a transition policy for the United States. The transition policy for metered dose inhalers must be one that achieves the dual aims of first protecting the patients who rely on these vital medical products, while also achieving the public health need of protecting the ozone layer. As a part of developing such a transition strategy, the FDA published an advance notice of proposed rulemaking (ANPRM) in March 1997. The ANPRM proposed mechanisms by which the FDA could determine when chlorofluorocarbon use in a drug product could no longer be considered essential. The ANPRM resulted in a large amount of valuable public debate and input. The FDA is now working to incorporate the knowledge gained from these public comments as it continues the rule-making process.

  10. Efficient Estimation of Non-Linear Dynamic Panel Data Models with Application to Smooth Transition Models

    DEFF Research Database (Denmark)

    Gørgens, Tue; Skeels, Christopher L.; Wurtz, Allan

    This paper explores estimation of a class of non-linear dynamic panel data models with additive unobserved individual-specific effects. The models are specified by moment restrictions. The class includes the panel data AR(p) model and panel smooth transition models. We derive an efficient set...... of moment restrictions for estimation and apply the results to estimation of panel smooth transition models with fixed effects, where the transition may be determined endogenously. The performance of the GMM estimator, both in terms of estimation precision and forecasting performance, is examined in a Monte...

  11. Efficiency measurement of cashew nut marketing in Enugu State ...

    African Journals Online (AJOL)

    Efficiency measurement of cashew nut marketing in Enugu State, Nigeria. ... were the multiple regression analysis to measure the profit function of cashew nut marketing inputs, Marketing margin, Lorenz curve, ... AJOL African Journals Online.

  12. Efficiency of bitter kola marketing in Abia State, Nigeria | Iheke ...

    African Journals Online (AJOL)

    Efficiency of bitter kola marketing in Abia State, Nigeria. ... The goal of marketing of agricultural products is to ensure that consumers get satisfaction from the entire process of production, as well as ... EMAIL FULL TEXT EMAIL FULL TEXT

  13. Isotropic-nematic transition in shear flow: State selection, coexistence, phase transitions, and critical behavior

    Science.gov (United States)

    Olmsted, Peter D.; Goldbart, Paul M.

    1992-10-01

    Macroscopic fluid motion can have dramatic consequences near the isotropic-nematic transition in fluids of nematogens. We explore some of these consequences using both deterministic and stochastic descriptions involving coupled hydrodynamic equations of motion for the nematic order parameter and fluid velocity fields. By analyzing the deterministic equations of motion we identify the locally stable states of homogeneous nematic order and strain rate, thus determining the homogeneous nonequilibrium steady states which the fluid may adopt. By examining inhomogeneous steady states we construct the analog of a first-order phase boundary, i.e., a line in the nonequilibrium phase diagram spanned by temperature and applied stress, at which nonequilibrium states may coexist, and which terminates in a nonequilibrium analog of a critical point. From an analysis of the nematic order-parameter discontinuity across the coexistence line, along with properties of the interface between homogeneous states, we extract the analog of classical equilibrium critical behavior near the nonequilibrium critical point. We develop a theory of fluctuations about biaxial nonequilibrium steady states by augmenting the deterministic description with noise terms, to simulate the effect of thermal fluctuations. We use this description to discuss the scattering of polarized light by order-parameter fluctuations near the nonequilibrium critical point and also in weak shear flow near the equilibrium phase transition. We find that fluids of nematogens near an appropriate temperature and strain rate exhibit the analog of critical opalescence, the intensity of which is sensitive to the polarizations of the incident and scattered light, and to the precise form of the critical mode.

  14. Transitional states of central serotonin receptors in Parkinson's disease

    International Nuclear Information System (INIS)

    Kienzl, E.; Riederer, P.; Jellinger, K.; Wesemann, W.; Marburg Univ.

    1981-01-01

    Crude membrane preparations from the frontal cortex of controls and pakinsonian patients were used to demonstrate affinity changes of the specific 3 H-5-hydroxytryptamine (5-HT) binding sites. Two such sites were noteable in controls, a finding consistent with earlier observations. In Parkinson's disease, both high- and low-affinity sites are significantly decreased. Additional experiments either with prolonged incubation times or pre-incubation with N-ethylmaleimide change the two affinities to a single high-affinity or low-affinity constant. The concept of transitional states of 5-HT receptors is discussed and seems to have important implications in the treatment of parkinsonism. (author)

  15. Transitional states of central serotonin receptors in Parkinson's disease

    Energy Technology Data Exchange (ETDEWEB)

    Kienzl, E; Riederer, P; Jellinger, K; Wesemann, W [Krankenhaus der Stadt Wien-Lainz (Austria). Ludwig Boltzmann Inst. fuer Neurobiologie; Marburg Univ. (Germany, F.R.). Inst. fuer Physiologie II, Abt. fuer Neurochemie)

    1981-01-01

    Crude membrane preparations from the frontal cortex of controls and pakinsonian patients were used to demonstrate affinity changes of the specific /sup 3/H-5-hydroxytryptamine (5-HT) binding sites. Two such sites were noteable in controls, a finding consistent with earlier observations. In Parkinson's disease, both high- and low-affinity sites are significantly decreased. Additional experiments either with prolonged incubation times or pre-incubation with N-ethylmaleimide change the two affinities to a single high-affinity or low-affinity constant. The concept of transitional states of 5-HT receptors is discussed and seems to have important implications in the treatment of parkinsonism.

  16. Energy Efficiency Resources to Support State Energy Planning

    Energy Technology Data Exchange (ETDEWEB)

    Office of Strategic Programs, Strategic Priorities and Impact Analysis Team

    2017-06-01

    An early step for most energy efficiency planning is to identify and quantify energy savings opportunities, and then to understand how to access this potential. The U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy offers resources that can help with both of these steps. This fact sheet presents those resources. The resources are also available on the DOE State and Local Solution Center on the "Energy Efficiency: Savings Opportunities and Benefits" page: https://energy.gov/eere/slsc/energy-efficiency-savings-opportunities-and-benefits.

  17. Technical efficiency among the food crop farmers in Rivers State ...

    African Journals Online (AJOL)

    This study estimated technical efficiency and isolated determinants of technical inefficiency among food crop farmers in Rivers State, Nigeria. The data was collected with structured questionnaire from 180 food crop farmers randomly selected from 10 out of the 15 upland LGAs that make up Rivers State. A stochastic frontier ...

  18. Neutron transition densities for the 2+-8+ multiplet of states in 90Zr

    International Nuclear Information System (INIS)

    Onegin, M.S.; Plavko, A.V.

    2004-01-01

    Neutron transition densities for the 2 + -8 + levels in 90 Zr were extracted in the process of analyzing (p,p ' ) scattering at 400 MeV. They were compared with the calculated neutron transition densities and with the experimental proton transition densities. Radial distributions of the experimental neutron and proton transition densities for each state were found to be different. (orig.)

  19. Maximizing efficiency in the transition to a coal-based economy

    International Nuclear Information System (INIS)

    Brathwaite, J.; Horst, S.; Iacobucci, J.

    2010-01-01

    Energy is the lynchpin of modern society. Since the early 1970s, growing dependence on foreign energy sources, oil in particular, has constrained US independence in foreign policy, and at times, inhibited economic stability and growth. Addressing oil dependence is politically and economically complex. Proposed solutions are multifaceted with various objectives such as energy efficiency and resource substitution. One solution is the partial transition from an oil- to coal-based economy. A number of facts support this solution including vast coal reserves in the US and the relative price stability of coal. However, several roadblocks exist. These include uncertain recoverable reserves and the immaturity of 'clean' coal technologies. This paper provides a first order analysis of the most efficient use of coal assuming the transition from oil to coal is desirable. Scenario analysis indicates two possible transition pathways: (1) bring the transportation sector onto the electric grid and (2) use coal-to-liquid fuels to directly power vehicles. The feasibility of each pathway is examined based on economic and environmental factors, among which are energy availability, affordability and efficiency, and environmental sustainability. Results indicate that partial transition of the transportation sector onto the electric grid offers the more viable solution for coal-based reduction of the US oil dependence.

  20. Improving energy efficiency: Strategies for supporting sustained market evolution in developing and transitioning countries

    Energy Technology Data Exchange (ETDEWEB)

    Meyers, S.

    1998-02-01

    This report presents a framework for considering market-oriented strategies for improving energy efficiency that recognize the conditions of developing and transitioning countries, and the need to strengthen the effectiveness of market forces in delivering greater energy efficiency. It discusses policies that build markets in general, such as economic and energy pricing reforms that encourage competition and increase incentives for market actors to improve the efficiency of their energy use, and measures that reduce the barriers to energy efficiency in specific markets such that improvement evolves in a dynamic, lasting manner. The report emphasizes how different policies and measures support one another and can create a synergy in which the whole is greater than the sum of the parts. In addressing this topic, it draws on the experience with market transformation energy efficiency programs in the US and other industrialized countries.

  1. Proceedings of the Eighth Forum: Croatian Energy Day Energy markets and energy efficiency in transition economy countries'

    International Nuclear Information System (INIS)

    1999-01-01

    Energy efficiency is the sum total of various influential factors resulting from the technical, technological, economic, financial, legislative and organisational conditions that exist in each of the transition countries. It is not possible to achieve an efficient usage of energy as in the Western European countries unless the total efficiency of managing all other resources equals the same level. Therefore, in the preceding period only the most successful companies managed to take considerable steps as regards the enhancement of energy efficiency, i.e. companies present at the European market and equalling the criteria of the their competitors. The problem of energy efficiency can be explained with the help pf a number of factors influencing decision making of a company's management or a citizen. Those factors create a framework of events, i.w. an appropriate or an inappropriate atmosphere for the implementation of the measures to increase energy efficiency. Attitudes for and against certain activities develop in an atmosphere according to which individuals have to make decisions. Non-economic prices, non-existence of tariff systems or systems with socially influenced prices or tariffs, have a demotivating effect on all the activities in the field of energy efficiency. The existing legislation of the transition countries often enough neglects the problem of energy management, relating to either building planning and construction, or network systems, renewable sources or consumption standards at the market. The financial situation is also an important element when dealing with energy efficiency projects; high interest rates and major problems with the insurance of necessary financial funds impede their realisation. The support of expert and consulting institutions is a precondition for a successful choice of measures, and the educational system should take over its extremely important role at each of the education levels. Energy efficiency programmes cannot be

  2. Transit Car Performance Comparison, State-of-the-Art Car vs. PATCO Transit Car, NYCTA R-46, MBTA Silverbirds

    Science.gov (United States)

    1978-02-01

    The first phase of this contract authorized the design, development, and demonstration of two State-Of-The-Art Cars (SOAC). This document reports on the gathering of comparative test data on existing in-service transit cars. The three transit cars se...

  3. A MECHANISM FOR HYSTERESIS IN BLACK HOLE BINARY STATE TRANSITIONS

    International Nuclear Information System (INIS)

    Begelman, Mitchell C.; Armitage, Philip J.

    2014-01-01

    We suggest that the hysteretic cycle of black hole state transitions arises from two established properties of accretion disks: the increase in turbulent stress in disks threaded by a net magnetic field and the ability of thick (but not thin) disks to advect such a field radially. During quiescence, magnetic field loops are generated by the magnetorotational instability at the interface between the inner hot flow and outer thin disk. Vertical flux is advected into and accumulates stochastically within the inner flow, where it stimulates the turbulence so that α ∼ 1. The transition to a geometrically thin inner disk occurs when L ∼ α 2 L Edd ∼ L Edd , and the first ''thin'' disk to form is itself moderately thick, strongly magnetized, and able to advect field inward. These properties favor episodic jet production. As the accretion rate declines magnetic flux escapes, α decreases to α ∼ 0.01-0.1, and a hot inner flow is not re-established until L << L Edd . We discuss possible observational consequences of our scenario

  4. Energy from Waste--clean, efficient, renewable: transitions in combustion efficiency and NOx control.

    Science.gov (United States)

    Waldner, M H; Halter, R; Sigg, A; Brosch, B; Gehrmann, H J; Keunecke, M

    2013-02-01

    Traditionally EfW (Energy from Waste) plants apply a reciprocating grate to combust waste fuel. An integrated steam generator recovers the heat of combustion and converts it to steam for use in a steam turbine/generator set. This is followed by an array of flue gas cleaning technologies to meet regulatory limitations. Modern combustion applies a two-step method using primary air to fuel the combustion process on the grate. This generates a complex mixture of pyrolysis gases, combustion gases and unused combustion air. The post-combustion step in the first pass of the boiler above the grate is intended to "clean up" this mixture by oxidizing unburned gases with secondary air. This paper describes modifications to the combustion process to minimize exhaust gas volumes and the generation of noxious gases and thus improving the overall thermal efficiency of the EfW plant. The resulting process can be coupled with an innovative SNCR (Selective Non-Catalytic Reduction) technology to form a clean and efficient solid waste combustion system. Measurements immediately above the grate show that gas compositions along the grate vary from 10% CO, 5% H(2) and 0% O(2) to essentially unused "pure" air, in good agreement with results from a mathematical model. Introducing these diverse gas compositions to the post combustion process will overwhelm its ability to process all these gas fractions in an optimal manner. Inserting an intermediate step aimed at homogenizing the mixture above the grate has shown to significantly improve the quality of combustion, allowing for optimized process parameters. These measures also resulted in reduced formation of NO(x) (nitrogenous oxides) due to a lower oxygen level at which the combustion process was run (2.6 vol% O(2,)(wet) instead of 6.0 vol% O(2,)(wet)). This reduction establishes optimal conditions for the DyNOR™ (Dynamic NO(x) Reduction) NO(x) reduction process. This innovative SNCR technology is adapted to situations typically

  5. Bound states of quarks and gluons and hadronic transitions

    International Nuclear Information System (INIS)

    Castro, Antonio Soares de.

    1990-05-01

    A potential which incorporates the concepts of confinement and asymptotic freedom, previously utilized in the description of the spectroscopy of mesons and baryons, is extended to the gluon sector. The mass spectroscopy of glueballs and hybrids is analyzed considering only pairwise potentials and massive constituent gluons. The mass spectrum of the color octet two-gluon system is adopted as a suitable description of the intermediate states of hadronic transitions, within the framework of the multipole expansion for quantum chromodynamics. The spin-dependent effects in the gluonium spectrum, associated with the Coulombian potential, are calculated through the inverted first Born approximation for the gluon-gluon scattering. (author). 102 refs, 1 fig, 13 tabs

  6. A Stochastic Description of Transition Between Granular Flow States

    International Nuclear Information System (INIS)

    Huang Decai; Sun Gang; Lu Kunquan

    2007-01-01

    Two-dimensional granular flow in a channel with small exit is studied by molecular dynamics simulations. We firstly define a key area near the exit, which is considered to be the choke area of the system. Then we observe the time variation of the local packing fraction and flow rate in this area for several fixed inflow rate, and find that these quantities change abruptly when the transition from dilute flow state to dense flow state happens. A relationship between the local flow rate and the local packing fraction in the key area is also given. The relationship is a continuous function under the fixed particle number condition, and has the characteristic that the flow rate has a maximum at a moderate packing fraction and the packing fraction is terminated at a high value with negative slope. By use of the relationship, the properties of the flow states under the fixed inflow rate condition are discussed in detail, and the discontinuities and the complex time variation behavior observed in the preexisting works are naturally explained by a stochastic process.

  7. Technical efficiency in pig production in Akwa Ibom State, Nigeria ...

    African Journals Online (AJOL)

    This study was designed to measure the level of technical efficiency and its determinants in pig production in Akwa Ibom State, Nigeria using a stochastic frontier production function. Multistage random sampling technique was used to select 60 pig farms from which input-output data were collected in 2004. The estimated ...

  8. Technical Efficiency of Enugu Urban Broiler Farmers in Enugu State ...

    African Journals Online (AJOL)

    The study measured the level of technical efficiency and among determinants in broiler farmers in Enugu urban of Enugu State, Nigeria using stochastic frontier production function. Multi-stage sampling technique was used to select 120 broiler farmers from which data were collected using well-structured questionnaire and ...

  9. Resource Use Efficiency in Sweet Potato Production in Kwara State ...

    African Journals Online (AJOL)

    This paper examines resource use efficiency in sweet potato production in Offa and Oyun local government areas of Kwara State of Nigeria. Primary data were collected from one hundred sweet potato farmers who were selected from the two local government areas during the 2003/2004 farming season. The data was ...

  10. Profit efficiency among catfish farmers in Benue state, Nigeria | Tsue ...

    African Journals Online (AJOL)

    The study examined profit efficiency among catfish farmers in Benue State of Nigeria using a stochastic profit frontier approach. A multi-stage sampling technique was used to collect data from 143 catfish farmers through a well structured questionnaire. The study used a Cobb-Douglas stochastic profit frontier function to ...

  11. The anatomy of bank performance during transition: A separate efficient frontier analysis of Ukrainian banks

    Directory of Open Access Journals (Sweden)

    Ihsan Isik

    2016-04-01

    Full Text Available By drawing on Ukrainian experience, this paper analyzes the anatomy of bank efficiency in a transitional economy. Acknowledging the vast disparities in the business technology of different size banks, in this comprehensive study, we innovatively estimate group-specific (distinct frontiers for small, medium, and large size banks. The results from separate frontiers reveal that Ukrainian banks record 38% technical inefficiency, 26% pure technical inefficiency, and 17% scale inefficiency on average. Apparently, banks in transition waste about the two fifths of their factor inputs during the production of financial services. The cardinal source of sub-performance in transitional banks seems to be managerial inefficiencies. We also found that banks operating in areas with more political influence and more developed infrastructure outperform the banks operating in politically and economically weaker regions. The results also indicate that larger banks, enjoying public trust in a risky business climate, dominate smaller banks in all forms of efficiency. However, such bias for size causes large banks to suffer from decreasing returns to scale and small banks from idle capacity. Consequently, the policies promoting consolidation between small and large banks may alleviate the excess (idle capacity for large (small banks in a transitional economy.

  12. Multi-state succession in wetlands: a novel use of state and transition models

    Science.gov (United States)

    Zweig, Christa L.; Kitchens, Wiley M.

    2009-01-01

    The complexity of ecosystems and mechanisms of succession are often simplified by linear and mathematical models used to understand and predict system behavior. Such models often do not incorporate multivariate, nonlinear feedbacks in pattern and process that include multiple scales of organization inherent within real-world systems. Wetlands are ecosystems with unique, nonlinear patterns of succession due to the regular, but often inconstant, presence of water on the landscape. We develop a general, nonspatial state and transition (S and T) succession conceptual model for wetlands and apply the general framework by creating annotated succession/management models and hypotheses for use in impact analysis on a portion of an imperiled wetland. The S and T models for our study area, Water Conservation Area 3A South (WCA3), Florida, USA, included hydrologic and peat depth values from multivariate analyses and classification and regression trees. We used the freeware Vegetation Dynamics Development Tool as an exploratory application to evaluate our S and T models with different management actions (equal chance [a control condition], deeper conditions, dry conditions, and increased hydrologic range) for three communities: slough, sawgrass (Cladium jamaicense), and wet prairie. Deeper conditions and increased hydrologic range behaved similarly, with the transition of community states to deeper states, particularly for sawgrass and slough. Hydrology is the primary mechanism for multi-state transitions within our study period, and we show both an immediate and lagged effect on vegetation, depending on community state. We consider these S and T succession models as a fraction of the framework for the Everglades. They are hypotheses for use in adaptive management, represent the community response to hydrology, and illustrate which aspects of hydrologic variability are important to community structure. We intend for these models to act as a foundation for further restoration

  13. The Efficiency of Quantum Identity Testing of Multiple States

    OpenAIRE

    Kada, Masaru; Nishimura, Harumichi; Yamakami, Tomoyuki

    2008-01-01

    We examine two quantum operations, the Permutation Test and the Circle Test, which test the identity of n quantum states. These operations naturally extend the well-studied Swap Test on two quantum states. We first show the optimality of the Permutation Test for any input size n as well as the optimality of the Circle Test for three input states. In particular, when n=3, we present a semi-classical protocol, incorporated with the Swap Test, which approximates the Circle Test efficiently. Furt...

  14. The Astrophysical Weeds: Rotational Transitions in Excited Vibrational States

    Science.gov (United States)

    Alonso, José L.; Kolesniková, Lucie; Alonso, Elena R.; Mata, Santiago

    2017-06-01

    The number of unidentified lines in the millimeter and submillimeter wave surveys of the interstellar medium has grown rapidly. The major contributions are due to rotational transitions in excited vibrational states of a relatively few molecules that are called the astrophysical weeds. necessary data to deal with spectral lines from astrophysical weeds species can be obtained from detailed laboratory rotational measurements in the microwave and millimeter wave region. A general procedure is being used at Valladolid combining different time and/or frequency domain spectroscopic tools of varying importance for providing the precise set of spectroscopic constants that could be used to search for this species in the ISM. This is illustrated in the present contribution through its application to several significant examples. Fortman, S. M., Medvedev, I. R., Neese, C.F., & De Lucia, F.C. 2010, ApJ,725, 1682 Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile, L. Kolesniková, E. R. Alonso, S. Mata, and J. L. Alonso, The Astrophysical Journal Supplement Series 2017, (in press).

  15. The phase transition to an inhomogeneous condensate state

    International Nuclear Information System (INIS)

    Voskresensky, D.N.

    1984-01-01

    The Lagrangian (free energy) of the model with a complex scalar order parameter in which the phase transition to an inhomogeneous condensate state exists is constructed in the coordinate representation. In the case of condensation of charged particles (for example paired electrons) interaction with the electromagnetic field is included. The excitation spectrum in the presence of the condensate is found. The oscillations are strongly anisotropic. It is shown that superfluidity is absent for an uncharged system but that the charged one has the property of superconductivity. The important role of thermal fluctuations is demonstrated. They drastically change the behaviour of the condensate system. The condensation in a finite system is considered. A study is carried out for the behaviour of an inhomogeneous condensate in magnetic field. It is shown that the inhomogeneous condensate is a type II superconductor with Ginzburg-Landau parameter kappa >> 1, but that the structure of the mixed state of the system is unusual - consisting of plane layers of the normal phase, when Hsub(c1)< H< H'sub(c2). The distribution of condensate in the strong magnetic field H'sub(c2)< H< Hsub(c2) is also studied. (Auth.)

  16. Measuring energy efficiency in the United States` economy: A beginning

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-10-01

    Energy efficiency is a vital component of the Nation`s energy strategy. One of the Department of Energy`s missions are to promote energy efficiency to help the Nation manage its energy resources. The ability to define and measure energy efficiency is essential to this objective. In the absence of consistent defensible measures, energy efficiency is a vague, subjective concept that engenders directionless speculation and confusion rather than insightful analysis. The task of defining and measuring energy efficiency and creating statistical measures as descriptors is a daunting one. This publication is not a final product, but is EIA`s first attempt to define and measure energy efficiency in a systematic and robust manner for each of the sectors and the United States economy as a whole. In this process, EIA has relied on discussions, customer reviews, in-house reviews, and seminars that have focused on energy efficiency in each of the sectors. EIA solicits the continued participation of its customers in further refining this work.

  17. State Energy Efficiency Resource Standards: Design, Status, and Impacts

    Energy Technology Data Exchange (ETDEWEB)

    Steinberg, D.; Zinaman, O.

    2014-05-01

    An energy efficiency resource standard (EERS) is a policy that requires utilities or other entities to achieve a specified amount of energy savings through customer energy efficiency programs within a specified timeframe. EERSs may apply to electricity usage, natural gas usage, or both. This paper provides an overview of the key design features of EERSs for electricity, reviews the variation in design of EERSs across states, and provides an estimate of the amount of savings required by currently specified EERSs in each state. As of December, 2013, 23 states have active and binding EERSs for electricity. We estimate that state EERSs will require annual electricity savings of approximately 8-11% of total projected demand by 2020 in states with EERSs, however the level of savings targeted by the policies varies significantly across states. In addition to the variation in targeted savings, the design of EERSs varies significantly across states leading to differences in the suite of incentives created by the policy, the flexibility of compliance with the policy, the balance of benefits and costs of the policy between producers and consumers, and the certainty with which the policy will drive long-term savings.

  18. A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes

    International Nuclear Information System (INIS)

    Klimes, JirI; Michaelides, Angelos; Bowler, David R

    2010-01-01

    The performance of a variety of techniques for locating transition states on potential energy surfaces is evaluated within the density functional theory framework. Diffusion of a water molecule across NaCl(001) and HCl bond breaking on the same surface are treated as general test cases; the former is an example of a low barrier diffusion process and the latter an example of a relatively high barrier covalent bond rupture event. The methods considered include the nudged elastic band (NEB), Dewar, Healy and Stewart (DHS), dimer, constrained optimization (CO), activation-relaxation technique (ART) and one-side growing string (OGS) as well as novel combinations of the DHS with growing string (DHS + GS) and DHS plus climbing image (CI-DHS). A key conclusion to come from this study is that the NEB method is relatively fast, especially when just a single (climbing) image is used. Indeed, using more images represents an unnecessary computational burden for our set of processes. The dimer method exhibits variable performance; being poor for the water diffusion processes, which have small activation energies, but much more efficient for the HCl bond breaking process which has a higher barrier. When only a poor initial guess of the transition state geometry is available, the CI-DHS scheme is one of the most efficient techniques considered. And as a means to quickly establish an approximate minimum energy pathway the DHS + GS scheme offers some potential.

  19. Discovering Unique, Low-Energy Transition States Using Evolutionary Molecular Memetic Computing

    DEFF Research Database (Denmark)

    Ellabaan, Mostafa M Hashim; Ong, Y.S.; Handoko, S.D.

    2013-01-01

    In the last few decades, identification of transition states has experienced significant growth in research interests from various scientific communities. As per the transition states theory, reaction paths and landscape analysis as well as many thermodynamic properties of biochemical systems can...... be accurately identified through the transition states. Transition states describe the paths of molecular systems in transiting across stable states. In this article, we present the discovery of unique, low-energy transition states and showcase the efficacy of their identification using the memetic computing...... paradigm under a Molecular Memetic Computing (MMC) framework. In essence, the MMC is equipped with the tree-based representation of non-cyclic molecules and the covalent-bond-driven evolutionary operators, in addition to the typical backbone of memetic algorithms. Herein, we employ genetic algorithm...

  20. Detecting critical state before phase transition of complex biological systems by hidden Markov model.

    Science.gov (United States)

    Chen, Pei; Liu, Rui; Li, Yongjun; Chen, Luonan

    2016-07-15

    Identifying the critical state or pre-transition state just before the occurrence of a phase transition is a challenging task, because the state of the system may show little apparent change before this critical transition during the gradual parameter variations. Such dynamics of phase transition is generally composed of three stages, i.e. before-transition state, pre-transition state and after-transition state, which can be considered as three different Markov processes. By exploring the rich dynamical information provided by high-throughput data, we present a novel computational method, i.e. hidden Markov model (HMM) based approach, to detect the switching point of the two Markov processes from the before-transition state (a stationary Markov process) to the pre-transition state (a time-varying Markov process), thereby identifying the pre-transition state or early-warning signals of the phase transition. To validate the effectiveness, we apply this method to detect the signals of the imminent phase transitions of complex systems based on the simulated datasets, and further identify the pre-transition states as well as their critical modules for three real datasets, i.e. the acute lung injury triggered by phosgene inhalation, MCF-7 human breast cancer caused by heregulin and HCV-induced dysplasia and hepatocellular carcinoma. Both functional and pathway enrichment analyses validate the computational results. The source code and some supporting files are available at https://github.com/rabbitpei/HMM_based-method lnchen@sibs.ac.cn or liyj@scut.edu.cn Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  1. Unambiguously identifying spin states of transition-metal ions in the Earth (Invited)

    Science.gov (United States)

    Hsu, H.

    2010-12-01

    The spin state of a transition-metal ion in crystalline solids, defined by the number of unpaired electrons in the ion’s incomplete 3d shell, may vary with many factors, such as temperature, pressure, strain, and the local atomic configuration, to name a few. Such a phenomenon, known as spin-state crossover, plays a crucial role in spintronic materials. Recently, the pressure-induced spin-state crossover in iron-bearing minerals has been recognized to affect the minerals’ structural and elastic properties. However, the detailed mechanism of such crossover in iron-bearing magnesium silicate perovskite, the most abundant mineral in the Earth, remains unclear. A significant part of this confusion arises from the difficulty in reliably extracting the spin state from experiments. For the same reason, the thermally-induced spin-state crossover in lanthanum cobaltite (LaCoO3) has been controversial for more than four decades. In this talk, I will discuss how first-principle calculations can help clarifying these long-standing controversies. In addition to the total energy, equation of state, and elastic properties of each spin state, first-principle calculations also predict the electric field gradient (EFG) at the nucleus of each transition-metal ion. Our calculations showed that the nuclear EFG, a quantity that can be measured via Mössbauer or nuclear magnetic resonance (NMR) spectroscopy, depends primarily on the spin state, irrespective of the concentration or configuration of transition-metal ions. Such robustness makes EFG a unique fingerprint to identify the spin state. The combination of first-principle calculations and Mössbauer/NMR spectroscopy can therefore be a reliable and efficient approach in tackling spin-state crossover problems in the Earth. This work was primarily supported by the MRSEC Program of NSF under Awards Number DMR-0212302 and DMR-0819885, and partially supported by NSF under ATM-0428774 (V-Lab), EAR-1019853, and EAR-0810272. The

  2. Modelling transition states of a small once-through boiler

    Energy Technology Data Exchange (ETDEWEB)

    Talonpoika, T [Lappeenranta Univ. of Technology (Finland). Dept. of Energy Technology

    1998-12-31

    This article presents a model for the unsteady dynamic behaviour of a once-through counter flow boiler that uses an organic working fluid. The boiler is a compact waste-heat boiler without a furnace and it has a preheater, a vaporiser and a superheater. The relative lengths of the boiler parts vary with the operating conditions since they are all parts of a single tube. The boiler model is presented using a selected example case that uses toluene as the process fluid and flue gas from natural gas combustion as the heat source. The dynamic behaviour of the boiler means transition from the steady initial state towards another steady state that corresponds to the changed process conditions. The solution method chosen is to find such a pressure of the process fluid that the mass of the process fluid in the boiler equals the mass calculated using the mass flows into and out of the boiler during a time step, using the finite difference method. A special method of fast calculation of the thermal properties is used, because most of the calculation time is spent in calculating the fluid properties. The boiler is divided into elements. The values of the thermodynamic properties and mass flows are calculated in the nodes that connect the elements. Dynamic behaviour is limited to the process fluid and tube wall, and the heat source is regarded as to be steady. The elements that connect the preheater to the vaporiser and the vaporiser to the superheater are treated in a special way that takes into account a flexible change from one part to the other. The initial state of the boiler is received from a steady process model that is not a part of the boiler model. The known boundary values that may vary during the dynamic calculation were the inlet temperature and mass flow rates of both the heat source fluid and the process fluid. The dynamic boiler model is analysed for linear and step charges of the entering fluid temperatures and flow rates. The heat source side tests show that

  3. Modelling transition states of a small once-through boiler

    Energy Technology Data Exchange (ETDEWEB)

    Talonpoika, T. [Lappeenranta Univ. of Technology (Finland). Dept. of Energy Technology

    1997-12-31

    This article presents a model for the unsteady dynamic behaviour of a once-through counter flow boiler that uses an organic working fluid. The boiler is a compact waste-heat boiler without a furnace and it has a preheater, a vaporiser and a superheater. The relative lengths of the boiler parts vary with the operating conditions since they are all parts of a single tube. The boiler model is presented using a selected example case that uses toluene as the process fluid and flue gas from natural gas combustion as the heat source. The dynamic behaviour of the boiler means transition from the steady initial state towards another steady state that corresponds to the changed process conditions. The solution method chosen is to find such a pressure of the process fluid that the mass of the process fluid in the boiler equals the mass calculated using the mass flows into and out of the boiler during a time step, using the finite difference method. A special method of fast calculation of the thermal properties is used, because most of the calculation time is spent in calculating the fluid properties. The boiler is divided into elements. The values of the thermodynamic properties and mass flows are calculated in the nodes that connect the elements. Dynamic behaviour is limited to the process fluid and tube wall, and the heat source is regarded as to be steady. The elements that connect the preheater to the vaporiser and the vaporiser to the superheater are treated in a special way that takes into account a flexible change from one part to the other. The initial state of the boiler is received from a steady process model that is not a part of the boiler model. The known boundary values that may vary during the dynamic calculation were the inlet temperature and mass flow rates of both the heat source fluid and the process fluid. The dynamic boiler model is analysed for linear and step charges of the entering fluid temperatures and flow rates. The heat source side tests show that

  4. Three equations of state and their application to transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Tian Ronggang; Sun Jiuxun; Yang Wei; Yu Fei, E-mail: sjx@uestc.edu.c [Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2010-10-15

    A modified generalized Morse (mGMSE) equation of state (EOS) is proposed that can incorporate the cohesive energy data correctly. It is compared with a four-parameter modified Rose (MR) EOS, which is proposed by following Rose's approach, and the Murnaghan (MNH) EOS. The MR, mGMSE and MNH EOSs are applied to five transition metals and then compared to the available experimental compression data. The results obtained show that for all pressure ranges, the mGMSE EOS fits experimental data most accurately. From a comparison of the variation in pressure and energy versus the compression ratio between MR and mGMSE EOSs, it is clear that the pressure and energy of the MR EOS oscillate both in the neighborhood of (V/V{sub 0}) {approx} 0.005 and in the range (V/V{sub 0})> 1. Generally speaking, the mGMSE EOS has many evident advantages over the other two EOSs, while the practical applications of the MR EOS are seriously limited because of physically incorrect oscillations.

  5. Three equations of state and their application to transition metals

    International Nuclear Information System (INIS)

    Tian Ronggang; Sun Jiuxun; Yang Wei; Yu Fei

    2010-01-01

    A modified generalized Morse (mGMSE) equation of state (EOS) is proposed that can incorporate the cohesive energy data correctly. It is compared with a four-parameter modified Rose (MR) EOS, which is proposed by following Rose's approach, and the Murnaghan (MNH) EOS. The MR, mGMSE and MNH EOSs are applied to five transition metals and then compared to the available experimental compression data. The results obtained show that for all pressure ranges, the mGMSE EOS fits experimental data most accurately. From a comparison of the variation in pressure and energy versus the compression ratio between MR and mGMSE EOSs, it is clear that the pressure and energy of the MR EOS oscillate both in the neighborhood of (V/V 0 ) ∼ 0.005 and in the range (V/V 0 )> 1. Generally speaking, the mGMSE EOS has many evident advantages over the other two EOSs, while the practical applications of the MR EOS are seriously limited because of physically incorrect oscillations.

  6. Three equations of state and their application to transition metals

    Science.gov (United States)

    Ronggang, Tian; Jiuxun, Sun; Wei, Yang; Fei, Yu

    2010-10-01

    A modified generalized Morse (mGMSE) equation of state (EOS) is proposed that can incorporate the cohesive energy data correctly. It is compared with a four-parameter modified Rose (MR) EOS, which is proposed by following Rose's approach, and the Murnaghan (MNH) EOS. The MR, mGMSE and MNH EOSs are applied to five transition metals and then compared to the available experimental compression data. The results obtained show that for all pressure ranges, the mGMSE EOS fits experimental data most accurately. From a comparison of the variation in pressure and energy versus the compression ratio between MR and mGMSE EOSs, it is clear that the pressure and energy of the MR EOS oscillate both in the neighborhood of (V/V0 ) ≈ 0.005 and in the range (V/V0 )> 1. Generally speaking, the mGMSE EOS has many evident advantages over the other two EOSs, while the practical applications of the MR EOS are seriously limited because of physically incorrect oscillations.

  7. Transition-state theory predicts clogging at the microscale

    Science.gov (United States)

    Laar, T. Van De; Klooster, S. Ten; Schroën, K.; Sprakel, J.

    2016-06-01

    Clogging is one of the main failure mechanisms encountered in industrial processes such as membrane filtration. Our understanding of the factors that govern the build-up of fouling layers and the emergence of clogs is largely incomplete, so that prevention of clogging remains an immense and costly challenge. In this paper we use a microfluidic model combined with quantitative real-time imaging to explore the influence of pore geometry and particle interactions on suspension clogging in constrictions, two crucial factors which remain relatively unexplored. We find a distinct dependence of the clogging rate on the entrance angle to a membrane pore which we explain quantitatively by deriving a model, based on transition-state theory, which describes the effect of viscous forces on the rate with which particles accumulate at the channel walls. With the same model we can also predict the effect of the particle interaction potential on the clogging rate. In both cases we find excellent agreement between our experimental data and theory. A better understanding of these clogging mechanisms and the influence of design parameters could form a stepping stone to delay or prevent clogging by rational membrane design.

  8. State-Transition Structures in Physics and in Computation

    Science.gov (United States)

    Petri, C. A.

    1982-12-01

    In order to establish close connections between physical and computational processes, it is assumed that the concepts of “state” and of “transition” are acceptable both to physicists and to computer scientists, at least in an informal way. The aim of this paper is to propose formal definitions of state and transition elements on the basis of very low level physical concepts in such a way that (1) all physically possible computations can be described as embedded in physical processes; (2) the computational aspects of physical processes can be described on a well-defined level of abstraction; (3) the gulf between the continuous models of physics and the discrete models of computer science can be bridged by simple mathematical constructs which may be given a physical interpretation; (4) a combinatorial, nonstatistical definition of “information” can be given on low levels of abstraction which may serve as a basis to derive higher-level concepts of information, e.g., by a statistical or probabilistic approach. Conceivable practical consequences are discussed.

  9. Parallel state transfer and efficient quantum routing on quantum networks.

    Science.gov (United States)

    Chudzicki, Christopher; Strauch, Frederick W

    2010-12-31

    We study the routing of quantum information in parallel on multidimensional networks of tunable qubits and oscillators. These theoretical models are inspired by recent experiments in superconducting circuits. We show that perfect parallel state transfer is possible for certain networks of harmonic oscillator modes. We extend this to the distribution of entanglement between every pair of nodes in the network, finding that the routing efficiency of hypercube networks is optimal and robust in the presence of dissipation and finite bandwidth.

  10. Holey two-dimensional transition metal oxide nanosheets for efficient energy storage

    Science.gov (United States)

    Peng, Lele; Xiong, Pan; Ma, Lu; Yuan, Yifei; Zhu, Yue; Chen, Dahong; Luo, Xiangyi; Lu, Jun; Amine, Khalil; Yu, Guihua

    2017-04-01

    Transition metal oxide nanomaterials are promising electrodes for alkali-ion batteries owing to their distinct reaction mechanism, abundant active sites and shortened ion diffusion distance. However, detailed conversion reaction processes in terms of the oxidation state evolution and chemical/mechanical stability of the electrodes are still poorly understood. Herein we explore a general synthetic strategy for versatile synthesis of various holey transition metal oxide nanosheets with adjustable hole sizes that enable greatly enhanced alkali-ion storage properties. We employ in-situ transmission electron microscopy and operando X-ray absorption structures to study the mechanical properties, morphology evolution and oxidation state changes during electrochemical processes. We find that these holey oxide nanosheets exhibit strong mechanical stability inherited from graphene oxide, displaying minimal structural changes during lithiation/delithiation processes. These holey oxide nanosheets represent a promising material platform for in-situ probing the electrochemical processes, and could open up opportunities in many energy storage and conversion systems.

  11. Youth and administrator perspectives on transition in Kentucky's state agency schools.

    Science.gov (United States)

    Marshall, Amy; Powell, Norman; Pierce, Doris; Nolan, Ronnie; Fehringer, Elaine

    2012-01-01

    Students, a large percentage with disabilities, are at high risk for poor post-secondary outcomes in state agency education programs. This mixed-methods study describes the understandings of student transitions in state agency education programs from the perspectives of youth and administrators. Results indicated that: transition is more narrowly defined within alternative education programs; key strengths of transition practice are present in nontraditional schools; and the coordination barriers within this fluid inter-agency transition system are most apparent in students' frequent inter-setting transitions between nontraditional and home schools.

  12. Efficient growth of complex graph states via imperfect path erasure

    International Nuclear Information System (INIS)

    Campbell, Earl T; Fitzsimons, Joseph; Benjamin, Simon C; Kok, Pieter

    2007-01-01

    Given a suitably large and well connected (complex) graph state, any quantum algorithm can be implemented purely through local measurements on the individual qubits. Measurements can also be used to create the graph state: path erasure techniques allow one to entangle multiple qubits by determining only global properties of the qubits. Here, this powerful approach is extended by demonstrating that even imperfect path erasure can produce the required graph states with high efficiency. By characterizing the degree of error in each path erasure attempt, one can subsume the resulting imperfect entanglement into an extended graph state formalism. The subsequent growth of the improper graph state can be guided, through a series of strategic decisions, in such a way as to bound the growth of the error and eventually yield a high-fidelity graph state. As an implementation of these techniques, we develop an analytic model for atom (or atom-like) qubits in mismatched cavities, under the double-heralding entanglement procedure of Barrett and Kok (2005 Phys. Rev. A 71 060310). Compared to straightforward post-selection techniques our protocol offers a dramatic improvement in growing complex high-fidelity graph states

  13. Divergence of relative difference in Gaussian distribution function and stochastic resonance in a bistable system with frictionless state transition

    Science.gov (United States)

    Kasai, Seiya; Ichiki, Akihisa; Tadokoro, Yukihiro

    2018-03-01

    A bistable system efficiently detects a weak signal by adding noise, which is referred to as stochastic resonance. A previous theory deals with friction in state transition; however, this hypothesis is inadequate when friction force is negligible such as in nano- and molecular-scale systems. We show that, when the transition occurs without friction, the sensitivity of the bistable system to a Gaussian-noise-imposed weak signal becomes significantly high. The sensitivity is determined by the relative difference in noise distribution function. We find that the relative difference in Gaussian distribution function diverges in its tail edge, resulting in a high sensitivity in the present system.

  14. Integrating resource efficiency and EU State aid. An evaluation of resource efficiency considerations in the current EU State aid framework

    Energy Technology Data Exchange (ETDEWEB)

    Bennink, D.; Faber, J.; Smit, M. [CE Delft, Delft (Netherlands); Goba, V. [SIA Estonian, Latvian and Lithuanian Environment ELLE, Tallinn (Estonia); Miller, K.; Williams, E. [AEA Technology plc, London (United Kingdom)

    2012-10-15

    This study, for the European Commission, analyses the issues that need to be addressed in the revision of the EU State aid framework to ensure that they do not hinder environmental, resource efficiency and sustainable development goals. In some cases, State aid can be considered an environmentally harmful subsidy (EHS). The study analyses (1) the extent to which the Environmental Aid Guidelines (EAG) need to be changed to take into account recent European environmental policy developments; (2) existing and potential resource efficiency considerations in a) the Regional Aid Guidelines; b) the Research, Development and Innovation (RDI) Guidelines and c) the Agriculture and Forestry Guidelines; assesses cases and schemes using these guidelines to identify whether resource efficiency considerations are taken into account. The study also considers the social, environmental and economic impacts of these cases and schemes. It develops recommendations for the review of the EAG and a number of horizontal guidelines. One of the conclusions of the analysis is that the way in which multiple objectives and impacts are balanced, when deciding to approve state aid, is unclear. Also, EU member states are not required to provide information on certain types of (estimated) impacts. To guarantee that multiple objectives and impacts are sufficiently balanced, it is recommended that the State aid framework prescribes that applicants identify social, economic and environmental objectives and impacts and describe how these are taken into account in the procedure of balancing multiple (conflicting) objectives. Objectives and impacts should be quantified as much as possible, for example by making use of the method of external cost calculation laid down in 'the Handbook on estimation of external costs in the transport Sector'. The results of the study are used by the European Commission as an input for evaluating and improving the EU State aid framework.

  15. Integrating resource efficiency and EU State aid. An evaluation of resource efficiency considerations in the current EU State aid framework

    Energy Technology Data Exchange (ETDEWEB)

    Bennink, D.; Faber, J.; Smit, M. [CE Delft, Delft (Netherlands); Goba, V. [SIA Estonian, Latvian and Lithuanian Environment ELLE, Tallinn (Estonia); Miller, K.; Williams, E. [AEA Technology plc, London (United Kingdom)

    2012-10-15

    This study, for the European Commission, analyses the issues that need to be addressed in the revision of the EU State aid framework to ensure that they do not hinder environmental, resource efficiency and sustainable development goals. In some cases, State aid can be considered an environmentally harmful subsidy (EHS). The study analyses (1) the extent to which the Environmental Aid Guidelines (EAG) need to be changed to take into account recent European environmental policy developments; (2) existing and potential resource efficiency considerations in a) the Regional Aid Guidelines; b) the Research, Development and Innovation (RDI) Guidelines and c) the Agriculture and Forestry Guidelines; assesses cases and schemes using these guidelines to identify whether resource efficiency considerations are taken into account. The study also considers the social, environmental and economic impacts of these cases and schemes. It develops recommendations for the review of the EAG and a number of horizontal guidelines. One of the conclusions of the analysis is that the way in which multiple objectives and impacts are balanced, when deciding to approve state aid, is unclear. Also, EU member states are not required to provide information on certain types of (estimated) impacts. To guarantee that multiple objectives and impacts are sufficiently balanced, it is recommended that the State aid framework prescribes that applicants identify social, economic and environmental objectives and impacts and describe how these are taken into account in the procedure of balancing multiple (conflicting) objectives. Objectives and impacts should be quantified as much as possible, for example by making use of the method of external cost calculation laid down in 'the Handbook on estimation of external costs in the transport Sector'. The results of the study are used by the European Commission as an input for evaluating and improving the EU State aid framework.

  16. Efficient steady-state solver for hierarchical quantum master equations

    Science.gov (United States)

    Zhang, Hou-Dao; Qiao, Qin; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing

    2017-07-01

    Steady states play pivotal roles in many equilibrium and non-equilibrium open system studies. Their accurate evaluations call for exact theories with rigorous treatment of system-bath interactions. Therein, the hierarchical equations-of-motion (HEOM) formalism is a nonperturbative and non-Markovian quantum dissipation theory, which can faithfully describe the dissipative dynamics and nonlinear response of open systems. Nevertheless, solving the steady states of open quantum systems via HEOM is often a challenging task, due to the vast number of dynamical quantities involved. In this work, we propose a self-consistent iteration approach that quickly solves the HEOM steady states. We demonstrate its high efficiency with accurate and fast evaluations of low-temperature thermal equilibrium of a model Fenna-Matthews-Olson pigment-protein complex. Numerically exact evaluation of thermal equilibrium Rényi entropies and stationary emission line shapes is presented with detailed discussion.

  17. Discontinuous jamming transitions in soft materials: coexistence of flowing and jammed states

    International Nuclear Information System (INIS)

    Dennin, Michael

    2008-01-01

    Many systems in nature exhibit transitions between fluid-like states and solid-like states, or 'jamming transitions'. There is a strong theoretical foundation for understanding equilibrium phase transitions that involve solidification, or jamming. Other jamming transitions, such as the glass transition, are less well understood. The jamming phase diagram has been proposed to unify the description of equilibrium phase transitions, the glass transitions, and other nonequilibrium jamming transitions. As with equilibrium phase transitions, which can either be first order (discontinuous in a relevant order parameter) or second order (continuous), one would expect that generalized jamming transitions can be continuous or discontinuous. In studies of flow in complex fluids, there is a wide range of evidence for discontinuous transitions, mostly in the context of shear localization, or shear banding. In this paper, I review the experimental evidence for discontinuous transitions. I focus on systems in which there is a discontinuity in the rate of strain between two, coexisting states: one in which the material is flowing and the other in which it is solid-like. (topical review)

  18. An efficient magnetic tight-binding method for transition metals and alloys

    DEFF Research Database (Denmark)

    Barreteau, Cyrille; Spanjaard, Daniel; Desjonquères, Marie-Catherine

    2016-01-01

    that does not necessitate any further fitting is proposed to deal with systems made of several chemical elements. This model is extended to spin (and orbital) polarized materials by adding Stoner-like and spin–orbit interactions. Collinear and non-collinear magnetism as well as spin-spirals are considered......An efficient parameterized self-consistent tight-binding model for transition metals using s, p and d valence atomic orbitals as a basis set is presented. The parameters of our tight-binding model for pure elements are determined from a fit to bulk ab-initio calculations. A very simple procedure...

  19. Strategies of Transition to Sustainable Agriculture in Iran I- Improving Resources Use Efficiency

    Directory of Open Access Journals (Sweden)

    Alireza Koocheki

    2017-12-01

    Full Text Available Introduction Fast switch to sustainable agriculture patterns is not impossible for many farmers. However to achieve perfect sustainable in agro-ecosystems which are friendly with environment, changing conventional to sustainable agriculture should be carried slowly. For this purpose, three effective steps were mentioned: first level is increasing of inputs efficiency such as fertilizer and chemical pesticides which used in conventional agriculture now. Second level is related to changing inputs by friendly environmental inputs as alternative inputs and the final level is redesigning of the agro-ecosystems that its function is based on series of ecological process. On the other hand, achieving sustainable agriculture requires higher efficiency of inputs and many process should be replaced by friendly environmental inputs with chemical inputs and new system is designed based on ecological principles. The objective of this study was to offer approaches for improving inputs use efficiency as first step to transition from conventional to sustainable agriculture. Material and Methods In order to evaluate the transition status from conventional to sustainable agriculture in agro-ecosystems of Iran, scientific resource and researches that was performed about increasing of inputs efficiency as first step to transition from conventional to sustainable agriculture was studied. For this purpose, 177 studies that had been performed about using different inputs and its efficiency in various crops were assessed. Applied inputs included water, nitrogen and herbicides and studied plants included cereals (wheat, barley, rice, maize and sorghum, beans (bean, pea and lentil, oil crops (canola, sunflower, safflower and sesame, medicinal plants, potato, sugar beet and cotton. In this study, average and range of inputs use efficiency in different crops and also the relationship between increasing of inputs application with their use efficiency was assessed. In the

  20. Theoretical Grounds of Formation of the Efficient State Economic Policy

    Directory of Open Access Journals (Sweden)

    Semyrak Oksana S.

    2013-12-01

    Full Text Available The article conducts historical and analytical analysis of views on the role of state administration in the sphere of economic relations by various economic directions in order to allocate traditional and newest essential reference points of the modern theory of state regulation of economy. It identifies specific features of modern models of economic policy that envisage setting goals by the state, selection of relevant efficient tools and mathematic function, which would describe dependencies between them. It considers the concept of the basic theory of economic policy of Jan Tinbergen, its advantages and shortcomings. It studies prerequisites and conducts analysis of the modern concept of the role of state in economy as a subject of the market. It considers the modern concept of economic socio-dynamics, pursuant to which the main task of the state is maximisation of social usefulness and permanent improvement of the Pareto-optimal. It considers the “socio-dynamic multiplicator” notion, which envisages availability of three main components: social effect from activity of the state, yearning of individuals for creation of something new and availability of formal and informal institutions that united first two elements.

  1. Model of Ca(2+) Concentration Controlled by Sarcoplasmic Reticulum of Skeletal Muscle, Using the State Transition

    National Research Council Canada - National Science Library

    Yokota, M

    2001-01-01

    ...). This report proposed a model that represents Ca(2+) in a muscle cell controlled by the SR using a state transition probability model in which one state means that protein in the SR is binding ligands, and the other...

  2. Status of Credentialing Structures Related to Secondary Transition: A State-Level Policy Analysis

    Science.gov (United States)

    Simonsen, Monica L.; Novak, Jeanne A.; Mazzotti, Valerie L.

    2018-01-01

    To understand the current status of transition-related credentialing systems in driving personnel preparation, it is necessary to identify which state education and rehabilitation services agencies are currently providing certification and licensure in the area of secondary transition. The purpose of this study was to examine the current state of…

  3. 31 CFR 560.406 - Transshipment or transit through United States prohibited.

    Science.gov (United States)

    2010-07-01

    ... 31 Money and Finance: Treasury 3 2010-07-01 2010-07-01 false Transshipment or transit through United States prohibited. 560.406 Section 560.406 Money and Finance: Treasury Regulations Relating to... TRANSACTIONS REGULATIONS Interpretations § 560.406 Transshipment or transit through United States prohibited...

  4. Digital soil mapping as a tool for quantifying state-and-transition models

    Science.gov (United States)

    Ecological sites and associated state-and-transition models (STMs) are rapidly becoming important land management tools in rangeland systems in the US and around the world. Descriptions of states and transitions are largely developed from expert knowledge and generally accepted species and community...

  5. Predicting landscape vegetation dynamics using state-and-transition simulation models

    Science.gov (United States)

    Colin J. Daniel; Leonardo. Frid

    2012-01-01

    This paper outlines how state-and-transition simulation models (STSMs) can be used to project changes in vegetation over time across a landscape. STSMs are stochastic, empirical simulation models that use an adapted Markov chain approach to predict how vegetation will transition between states over time, typically in response to interactions between succession,...

  6. Grassland to shrubland state transitions enhance carbon sequestration in the northern Chihuahuan Desert

    Science.gov (United States)

    M. D. Petrie; S. L. Collins; A. M. Swann; P. L. Ford; M. E. Litvak

    2015-01-01

    The replacement of native C4-dominated grassland by C3-dominated shrubland is considered an ecological state transition where different ecological communities can exist under similar environmental conditions. These state transitions are occurring globally, and may be exacerbated by climate change. One consequence of the global increase in woody vegetation may be...

  7. Efficiency evaluation of the state owned electric utilities in India

    International Nuclear Information System (INIS)

    Thakur, Tripta; Deshmukh, S.G.; Kaushik, S.C.

    2006-01-01

    This paper presents a framework for accessing comparative efficiencies of Indian State Owned Electric Utilities (SOEU), which have been mainly responsible for the generation, distribution and transmission of electricity in India. Performance of 26 utilities was evaluated using the non-parametric technique of Data Envelopment Analysis (DEA), and the impact of scale on the efficiency scores was also evaluated. The results indicate that the performance of several SOEUs is sub-optimal, suggesting the potential for significant cost reductions. Separate benchmarks were derived for possible reductions in employees' number, and the results indicate that several utilities deploy a much larger number of employees than that required by a best practice utility, and significant savings are possible on this account. It was also found that the bigger utilities display greater inefficiencies and have distinct scale inefficiencies. Exploiting scale efficiencies by suitable restructuring and unbundling of SOEUs are therefore crucial measures that may foster efficiencies in the SOEUs. The paper discusses these results in the context of related policy issues

  8. Transition-Metal-Free Highly Efficient Aerobic Oxidation of Sulfides to Sulfoxides under Mild Conditions

    Directory of Open Access Journals (Sweden)

    Hua Zhang

    2009-12-01

    Full Text Available A highly efficient transition-metal-free catalytic system Br2/NaNO2/H2O has been developed for a robust and economic acid-free aerobic oxidation of sulfides. It is noteworthy that the sulfide function reacts under mild conditions without over-oxidation to sulfone. The role of NaNO2as an efficient NO equivalent for the activation of molecular oxygen was identified. Under the optimal conditions, a broad range of sulfide substrates were converted into their corresponding sulfoxides in high yields by molecular oxygen. The present catalytic system utilizes cheap and readily available agents as the catalysts, exhibits high selectivity for sulfoxide products and releases only innocuous water as the by-products.

  9. In-Situ Phase Transition Control in the Supercooled State for Robust Active Glass Fiber.

    Science.gov (United States)

    Lv, Shichao; Cao, Maoqing; Li, Chaoyu; Li, Jiang; Qiu, Jianrong; Zhou, Shifeng

    2017-06-21

    The construction of a dopant-activated photonic composite is of great technological importance for various applications, including smart lighting, optical amplification, laser, and optical detection. The bonding arrangement around the introduced dopants largely determines the properties, yet it remains a daunting challenge to manipulate the local state of the matrix (i.e., phase) inside the transparent composite in a controllable manner. Here we demonstrate that the relaxation of the supercooled state enables in-situ phase transition control in glass. Benefiting from the unique local atom arrangement manner, the strategy offers the possibility for simultaneously tuning the chemical environment of the incorporated dopant and engineering the dopant-host interaction. This allows us to effectively activate the dopant with high efficiency (calculated as ∼100%) and profoundly enhance the dopant-host energy-exchange interaction. Our results highlight that the in-situ phase transition control in glass may provide new opportunities for fabrication of unusual photonic materials with intense broadband emission at ∼1100 nm and development of the robust optical detection unit with high compactness and broadband photon-harvesting capability (from X-ray to ultraviolet light).

  10. THE EFFICIENCY OF IMPLEMENTING PRIVATE MANAGEMENT IN STATE COMPANIES

    Directory of Open Access Journals (Sweden)

    Mungiu-Pupăzan Mariana Claudia

    2012-09-01

    Full Text Available In 2012, nine state-owned companies are expected to have private management giving up the statemanagement. Therefore, a full debate of this issue is required, taking into consideration the fact that, in ouropinion, this process involves more than just the replacement of a manager with another. The implementationof private management in companies of national strategy, currently in state ownership, is desired to be aprofound and also very complex process, aiming to change organizational culture in depth, both verticallyand horizontally, so as to increase efficiency in these companies.Implementation of private management could be a good opportunity for an efficient development ofthese companies, for an increasing level of competitiveness on the international market, but only in terms ofa leadership team chosen on performance criteria, with a coherent set of objectives and a high independencelevel of decision.There are some opinions from people with experience in managing both private and statecompanies. They believe that the idea of establishing a private management in state companies, is, in themain, good, but it is essential to take into consideration the idea of a team trained to lead the company,instead of one person as a general manager.Another element to be taken into account, so that this idea of private management may have thedesired effect, is to precisely determine companies where private management teams should be installed. Notall companies are suitable for the same private management strategy. This type of leadership is better forcompanies with a real international perspective, such as Tarom, while strategic companies should be ratherreformed, including management privatization, and kept as state strategic areas. However, strict criteria ofstate intervention in decision-making process should be established, a striking question concerning thecircumstances under which such a management team could be successful, given that state firms are

  11. Atomic final-state effects in nuclear transitions

    International Nuclear Information System (INIS)

    Griffiths, A.; Vogel, P.

    1991-01-01

    The interaction of a nuclear gamma radiation with the atomic electron cloud gives rise to a phase shift in the nuclear electromagnetic transition amplitude. The resulting interference parameters ξ(πL) are of significance to the analysis of time-reversal experiments. We calculate these parameters for E1, E2, E3, M1, and M2 gamma transitions in a number of nuclei. We also discuss the implication of these results for simultaneous parity- and time-reversal-violating experiments

  12. Energy Demand Modeling Methodology of Key State Transitions of Turning Processes

    Directory of Open Access Journals (Sweden)

    Shun Jia

    2017-04-01

    Full Text Available Energy demand modeling of machining processes is the foundation of energy optimization. Energy demand of machining state transition is integral to the energy requirements of the machining process. However, research focus on energy modeling of state transition is scarce. To fill this gap, an energy demand modeling methodology of key state transitions of the turning process is proposed. The establishment of an energy demand model of state transition could improve the accuracy of the energy model of the machining process, which also provides an accurate model and reliable data for energy optimization of the machining process. Finally, case studies were conducted on a CK6153i CNC lathe, the results demonstrating that predictive accuracy with the proposed method is generally above 90% for the state transition cases.

  13. Pediatricians Transitioning Practices, Youth With Special Health Care Needs in New York State.

    Science.gov (United States)

    Davidson, Lynn F; Chhabra, Rosy; Cohen, Hillel W; Lechuga, Claudia; Diaz, Patricia; Racine, Andrew

    2015-10-01

    To assess current practices of New York State pediatricians as they transition youth with special health care needs to adult-oriented medical care. A survey of New York State pediatricians included 6 critical steps from 2002 consensus statement, 11 essential steps adapted from recent literature, and questions targeting age of starting transition and availability of transition policy. Of 181 respondents, only 11% have a transition policy. Most assist patients in transition process; identify an adult provider (92%); and create portable medical summary (57%). Only 3% start planning process at recommended age. No respondents are compliant with all 6 critical steps; subspecialists were more likely to report compliance to more than 4 steps. Participating pediatricians are making gains, yet effort is needed, to incorporate the essential steps into practice for transitioning youth with special health care needs. Recognition of barriers, use of electronic tools, and clarifying subspecialist's approach, may improve compliance with transition recommendations. © The Author(s) 2015.

  14. Efficiency of the state support for the sustainable development of the real production sector in Russia

    Directory of Open Access Journals (Sweden)

    Vasilyeva Elena

    2017-01-01

    Full Text Available Sustained and inclusive economic growth is necessary for achieving sustainable development. While economic growth and employment are important for economic security, access to financial services is an essential component of inclusive growth. In the conditions of prolonged crisis the sustainable development of the cities, as well as the real production sector in general, establishes some special requirements to the use of means of the federal budget for the state support of organizations. Reducing of some expenses is inevitable. At the same time the principle of the effective use of the budgetary funds is very urgent. During the research the indicators of activities of the enterprises with the state participation were studied including public companies, companies quoted at the exchange; credit institutions, systemically important companies; companies realizing innovative programs. The authors insist that the efficiency evaluation of the use of means of the government budget should be based on the comparison of the surplus of products from the state support and the amount of the state support for each industry. According the result of the research the conclusions about the low efficiency of the use of state support in the organizations are made in the article. According to the authors’ opinion, it is connected with the actually estimate order of financing. The transition from the estimate financing to the project financing is suggested and proved in the article.

  15. The recent development of efficient Earth-abundant transition-metal nanocatalysts.

    Science.gov (United States)

    Wang, Dong; Astruc, Didier

    2017-02-06

    Whereas noble metal compounds have long been central in catalysis, Earth-abundant metal-based catalysts have in the same time remained undeveloped. Yet the efficacy of Earth-abundant metal catalysts was already shown at the very beginning of the 20th century with the Fe-catalyzed Haber-Bosch process of ammonia synthesis and later in the Fischer-Tropsch reaction. Nanoscience has revolutionized the world of catalysis since it was observed that very small Au nanoparticles (NPs) and other noble metal NPs are extraordinarily efficient. Therefore the development of Earth-abundant metals NPs is more recent, but it has appeared necessary due to their "greenness". This review highlights catalysis by NPs of Earth-abundant transition metals that include Mn, Fe, Co, Ni, Cu, early transition metals (Ti, V, Cr, Zr, Nb and W) and their nanocomposites with emphasis on basic principles and literature reported during the last 5 years. A very large spectrum of catalytic reactions has been successfully disclosed, and catalysis has been examined for each metal starting with zero-valent metal NPs followed by oxides and other nanocomposites. The last section highlights the catalytic activities of bi- and trimetallic NPs. Indeed this later family is very promising and simultaneously benefits from increased stability, efficiency and selectivity, compared to monometallic NPs, due to synergistic substrate activation.

  16. Improving the Efficiency of Solid State Light Sources

    International Nuclear Information System (INIS)

    Joanna McKittrick

    2003-01-01

    This proposal addresses the national need to develop a high efficiency light source for general illumination applications. The goal is to perform research that would lead to the fabrication of a unique solid state, white-emitting light source. This source is based on an InGaN/GaN UV-emitting chip that activates a luminescent material (phosphor) to produce white light. White-light LEDs are commercially available which use UV from a GaN chip to excite a phosphor suspended in epoxy around the chip. Currently, these devices are relatively inefficient. This research will target one technical barrier that presently limits the efficiency of GaN based devices. Improvements in efficiencies will be achieved by improving the internal conversion efficiency of the LED die, by improving the coupling between the die and phosphor(s) to reduce losses at the surfaces, and by selecting phosphors to maximize the emissions from the LEDs in conversion to white light. The UCSD research team proposes for this project to develop new phosphors that have high quantum efficiencies that can be activated by the UV-blue (360-410 nm) light emitted by the GaN device. The main goal for the UCSD team was to develop new phosphor materials with a very specific property: phosphors that could be excited at long UV-wavelengths (λ=350-410 nm). The photoluminescence of these new phosphors must be activated with photons emitted from GaN based dies. The GaN diodes can be designed to emit UV-light in the same range (λ=350-410 nm). A second objective, which is also very important, is to search for alternate methods to fabricate these phosphors with special emphasis in saving energy and time and reduce pollution

  17. Efficient industrial energy use: The first step in transitioning Saudi Arabia's energy mix

    International Nuclear Information System (INIS)

    Matar, Walid; Murphy, Frederic; Pierru, Axel; Rioux, Bertrand; Wogan, David

    2017-01-01

    In Saudi Arabia, industrial fuel prices are administered below international prices and firms make decisions based on low energy prices, increasing domestic energy demand. This analysis explores alternative policies designed to induce a transition to a more efficient energy system by immediately deregulating industrial fuel prices, gradually deregulating fuel prices, and introducing investment credits or feed-in tariffs. It uses a dynamic multi-sector, mixed-complementarity model. Continuing existing policies results in a power system still fueled completely by hydrocarbons. The alternative policies result in a transition to a more efficient energy system where nuclear and renewable technologies become cost-effective and produce 70% of the electricity in 2032. Introducing the alternative policies can reduce the consumption of oil and natural gas by up to 2 million barrels of oil equivalent per day in 2032, with cumulative savings between 6.3 and 9.6 billion barrels of oil equivalent. The energy system sees a net economic gain up to half a trillion 2014 USD from increased oil exports, even with investments in nuclear and renewables. The results are robust to alternative assumptions regarding the value of oil saved and the growth in end-use energy demand. - Highlights: • We model the effect of reforming fuel prices to industrial sectors in Saudi Arabia. • Alternate policies can lower oil and gas use by up to two million boe/day in 2032. • Large economic gains could be achieved by reforming industrial fuel prices. • Some pricing policies manage transition without compromising the economic gain. • Saudi Arabia can maintain large crude oil export capacity by 2032.

  18. Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Amber; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2015-10-07

    We investigate a simple approach to compute a non-adiabatic thermal rate constant using the fewest switches surface hopping (FSSH) dynamics. We study the effects of both decoherence (using our augmented-FSSH (A-FSSH) algorithm) and forbidden hops over a large range of parameters, including high and low friction regimes, and weak and strong electronic coupling regimes. Furthermore, when possible, we benchmark our results against exact hierarchy equations of motion results, where we usually find a maximum error of roughly a factor of two (at reasonably large temperatures). In agreement with Hammes-Schiffer and Tully, we find that a merger of transition state theory and surface hopping can be both accurate and efficient when performed correctly. We further show that detailed balance is followed approximately by A-FSSH dynamics.

  19. Hybrid phase transition into an absorbing state: Percolation and avalanches

    Science.gov (United States)

    Lee, Deokjae; Choi, S.; Stippinger, M.; Kertész, J.; Kahng, B.

    2016-04-01

    Interdependent networks are more fragile under random attacks than simplex networks, because interlayer dependencies lead to cascading failures and finally to a sudden collapse. This is a hybrid phase transition (HPT), meaning that at the transition point the order parameter has a jump but there are also critical phenomena related to it. Here we study these phenomena on the Erdős-Rényi and the two-dimensional interdependent networks and show that the hybrid percolation transition exhibits two kinds of critical behaviors: divergence of the fluctuations of the order parameter and power-law size distribution of finite avalanches at a transition point. At the transition point global or "infinite" avalanches occur, while the finite ones have a power law size distribution; thus the avalanche statistics also has the nature of a HPT. The exponent βm of the order parameter is 1 /2 under general conditions, while the value of the exponent γm characterizing the fluctuations of the order parameter depends on the system. The critical behavior of the finite avalanches can be described by another set of exponents, βa and γa. These two critical behaviors are coupled by a scaling law: 1 -βm=γa .

  20. Complex transitions between spike, burst or chaos synchronization states in coupled neurons with coexisting bursting patterns

    International Nuclear Information System (INIS)

    Gu Hua-Guang; Chen Sheng-Gen; Li Yu-Ye

    2015-01-01

    We investigated the synchronization dynamics of a coupled neuronal system composed of two identical Chay model neurons. The Chay model showed coexisting period-1 and period-2 bursting patterns as a parameter and initial values are varied. We simulated multiple periodic and chaotic bursting patterns with non-(NS), burst phase (BS), spike phase (SS), complete (CS), and lag synchronization states. When the coexisting behavior is near period-2 bursting, the transitions of synchronization states of the coupled system follows very complex transitions that begins with transitions between BS and SS, moves to transitions between CS and SS, and to CS. Most initial values lead to the CS state of period-2 bursting while only a few lead to the CS state of period-1 bursting. When the coexisting behavior is near period-1 bursting, the transitions begin with NS, move to transitions between SS and BS, to transitions between SS and CS, and then to CS. Most initial values lead to the CS state of period-1 bursting but a few lead to the CS state of period-2 bursting. The BS was identified as chaos synchronization. The patterns for NS and transitions between BS and SS are insensitive to initial values. The patterns for transitions between CS and SS and the CS state are sensitive to them. The number of spikes per burst of non-CS bursting increases with increasing coupling strength. These results not only reveal the initial value- and parameter-dependent synchronization transitions of coupled systems with coexisting behaviors, but also facilitate interpretation of various bursting patterns and synchronization transitions generated in the nervous system with weak coupling strength. (paper)

  1. Portuguese state university performance according to students: an efficiency analysis

    Directory of Open Access Journals (Sweden)

    Emerson Wagner Mainardes

    2016-08-01

    Full Text Available The objective of this research project is to evaluate the performance of Portuguese state universities in accordance with the expectations and satisfactions of their students and through recourse to the DEA methodology and thus representing one of the very few studies analysing university performance based upon student perceptions. According to an output oriented Variable Returns to Scale model, handling the responses returned by 1,669 students, the results demonstrate that faculties generally attain a good relationship between student expectations and their levels of satisfaction. We furthermore conclude that university scale does not guarantee efficiency. Hence, irrespective of size, universities are able to ensure the satisfaction of their students. Finally, the results show that satisfying only certain expectations related to specific aspects does not prove sufficient to guaranteeing overall student satisfaction. The analysis also correspondingly finds that while some decision making units prove efficient in satisfying expectations on specific aspects, they fail to attain such efficiency in the overall perspective of students.

  2. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...... of the TS geometry on the flexibility of the system has been probed by fixing layers of atoms around the active site and using increasingly larger nonbonded cutoffs. The variability over the 20 structures is found to decrease as the system is made more flexible. Relative energies have been calculated...... by various electronic structure methods, where part of the enzyme is represented by a force field description and the effects of the solvent are represented by a continuum model. The relative energies vary by several hundreds of kJ/mol between the transition structures, and tests showed that a large part...

  3. Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension

    Energy Technology Data Exchange (ETDEWEB)

    Greene, Samuel M., E-mail: samuel.greene@chem.ox.ac.uk; Shan, Xiao, E-mail: xiao.shan@chem.ox.ac.uk; Clary, David C., E-mail: david.clary@chem.ox.ac.u [Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom)

    2016-06-28

    Semiclassical Transition State Theory (SCTST), a method for calculating rate constants of chemical reactions, offers gains in computational efficiency relative to more accurate quantum scattering methods. In full-dimensional (FD) SCTST, reaction probabilities are calculated from third and fourth potential derivatives along all vibrational degrees of freedom. However, the computational cost of FD SCTST scales unfavorably with system size, which prohibits its application to larger systems. In this study, the accuracy and efficiency of 1-D SCTST, in which only third and fourth derivatives along the reaction mode are used, are investigated in comparison to those of FD SCTST. Potential derivatives are obtained from numerical ab initio Hessian matrix calculations at the MP2/cc-pVTZ level of theory, and Richardson extrapolation is applied to improve the accuracy of these derivatives. Reaction barriers are calculated at the CCSD(T)/cc-pVTZ level. Results from FD SCTST agree with results from previous theoretical and experimental studies when Richardson extrapolation is applied. Results from our implementation of 1-D SCTST, which uses only 4 single-point MP2/cc-pVTZ energy calculations in addition to those for conventional TST, agree with FD results to within a factor of 5 at 250 K. This degree of agreement and the efficiency of the 1-D method suggest its potential as a means of approximating rate constants for systems too large for existing quantum scattering methods.

  4. Hydrostatic pressure effects on the state density and optical transitions in quantum dots

    International Nuclear Information System (INIS)

    Galindez-Ramirez, G; Perez-Merchancano, S T; Paredes Gutierrez, H; Gonzalez, J D

    2010-01-01

    Using the effective mass approximation and variational method we have computed the effects of hydrostatic pressure on the absorption and photoluminescence spectra in spherical quantum dot GaAs-(Ga, Al) As, considering a finite confinement potential of this particular work we show the optical transitions in quantum of various sizes in the presence of hydrogenic impurities and hydrostatic pressure effects. Our first result describes the spectrum of optical absorption of 500 A QD for different values of hydrostatic pressure P = 0, 20 and 40 Kbar. The absorption peaks are sensitive to the displacement of the impurity center to the edge of the quantum dot and even more when the hydrostatic pressure changes in both cases showing that to the extent that these two effects are stronger quantum dots respond more efficiently. Also this result can be seen in the study of the photoluminescence spectrum as in the case of acceptor impurities consider them more efficiently capture carriers or electrons that pass from the conduction band to the valence band. Density states with randomly distributed impurity show that the additional peaks in the curves of the density of impurity states appear due to the presence of the additional hydrostatic pressure effects.

  5. Efficient and robust relaxation procedures for multi-component mixtures including phase transition

    International Nuclear Information System (INIS)

    Han, Ee; Hantke, Maren; Müller, Siegfried

    2017-01-01

    We consider a thermodynamic consistent multi-component model in multi-dimensions that is a generalization of the classical two-phase flow model of Baer and Nunziato. The exchange of mass, momentum and energy between the phases is described by additional source terms. Typically these terms are handled by relaxation procedures. Available relaxation procedures suffer from efficiency and robustness resulting in very costly computations that in general only allow for one-dimensional computations. Therefore we focus on the development of new efficient and robust numerical methods for relaxation processes. We derive exact procedures to determine mechanical and thermal equilibrium states. Further we introduce a novel iterative method to treat the mass transfer for a three component mixture. All new procedures can be extended to an arbitrary number of inert ideal gases. We prove existence, uniqueness and physical admissibility of the resulting states and convergence of our new procedures. Efficiency and robustness of the procedures are verified by means of numerical computations in one and two space dimensions. - Highlights: • We develop novel relaxation procedures for a generalized, thermodynamically consistent Baer–Nunziato type model. • Exact procedures for mechanical and thermal relaxation procedures avoid artificial parameters. • Existence, uniqueness and physical admissibility of the equilibrium states are proven for special mixtures. • A novel iterative method for mass transfer is introduced for a three component mixture providing a unique and admissible equilibrium state.

  6. Improving building energy efficiency in India: State-level analysis of building energy efficiency policies

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Sha; Tan, Qing; Evans, Meredydd; Kyle, Page; Vu, Linh; Patel, Pralit L.

    2017-11-01

    India is expected to add 40 billion m2 of new buildings till 2050. Buildings are responsible for one third of India’s total energy consumption today and building energy use is expected to continue growing driven by rapid income and population growth. The implementation of the Energy Conservation Building Code (ECBC) is one of the measures to improve building energy efficiency. Using the Global Change Assessment Model, this study assesses growth in the buildings sector and impacts of building energy policies in Gujarat, which would help the state adopt ECBC and expand building energy efficiency programs. Without building energy policies, building energy use in Gujarat would grow by 15 times in commercial buildings and 4 times in urban residential buildings between 2010 and 2050. ECBC improves energy efficiency in commercial buildings and could reduce building electricity use in Gujarat by 20% in 2050, compared to the no policy scenario. Having energy codes for both commercial and residential buildings could result in additional 10% savings in electricity use. To achieve these intended savings, it is critical to build capacity and institution for robust code implementation.

  7. Effects of a Transition to a Hydrogen Economy on Employment in the United States

    International Nuclear Information System (INIS)

    Tolley, George S.; Jones, Donald W.; Mintz, Marianne M.; Smith, Barton A.; Carlson, Eric; Unnasch, Stefan; Lawrence, Michael; Chmelynski, Harry

    2008-01-01

    The U.S. Department of Energy report, Effects of a Transition to a Hydrogen Economy on Employment in the United States Report to Congress, estimates the effects on employment of a U.S. economy transformation to hydrogen between 2020 and 2050. The report includes study results on employment impacts from hydrogen market expansion in the transportation, stationary, and portable power sectors and highlights possible skill and education needs. This study is in response to Section 1820 of the Energy Policy Act of 2005 (Public Law 109-58) (EPACT). Section 1820, 'Overall Employment in a Hydrogen Economy', requires the Secretary of Energy to carry out a study of the effects of a transition to a hydrogen economy on several employment (types) in the United States. As required by Section 1820, the present report considers: (1) Replacement effects of new goods and services; (2) International competition; (3) Workforce training requirements; (4) Multiple possible fuel cycles, including usage of raw materials; (5) Rates of market penetration of technologies; (6) Regional variations based on geography; and (7) Specific recommendations of the study Both the Administration's National Energy Policy and the Department's Strategic Plan call for reducing U.S. reliance on imported oil and reducing greenhouse gas emissions. The National Energy Policy also acknowledges the need to increase energy supplies and use more energy-efficient technologies and practices. President Bush proposed in his January 2003 State of the Union Address to advance research on hydrogen so that it has the potential to play a major role in America's future energy system. Consistent with these aims, EPACT 2005 authorizes a research, development, and demonstration program for hydrogen and fuel cell technology. Projected results for the national employment impacts, projections of the job creation and job replacement underlying the total employment changes, training implications, regional employment impacts and the

  8. Effects of a Transition to a Hydrogen Economy on Employment in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Tolley, George S.; Jones, Donald W. Mintz, Marianne M.; Smith, Barton A.; Carlson, Eric; Unnasch, Stefan; Lawrence, Michael; Chmelynski, Harry

    2008-07-01

    The U.S. Department of Energy report, Effects of a Transition to a Hydrogen Economy on Employment in the United States Report to Congress, estimates the effects on employment of a U.S. economy transformation to hydrogen between 2020 and 2050. The report includes study results on employment impacts from hydrogen market expansion in the transportation, stationary, and portable power sectors and highlights possible skill and education needs. This study is in response to Section 1820 of the Energy Policy Act of 2005 (Public Law 109-58) (EPACT). Section 1820, “Overall Employment in a Hydrogen Economy,” requires the Secretary of Energy to carry out a study of the effects of a transition to a hydrogen economy on several employment [types] in the United States. As required by Section 1820, the present report considers: • Replacement effects of new goods and services • International competition • Workforce training requirements • Multiple possible fuel cycles, including usage of raw materials • Rates of market penetration of technologies • Regional variations based on geography • Specific recommendations of the study Both the Administration’s National Energy Policy and the Department’s Strategic Plan call for reducing U.S. reliance on imported oil and reducing greenhouse gas emissions. The National Energy Policy also acknowledges the need to increase energy supplies and use more energy-efficient technologies and practices. President Bush proposed in his January 2003 State of the Union Address to advance research on hydrogen so that it has the potential to play a major role in America’s future energy system. Consistent with these aims, EPACT 2005 authorizes a research, development, and demonstration program for hydrogen and fuel cell technology. Projected results for the national employment impacts, projections of the job creation and job replacement underlying the total employment changes, training implications, regional employment impacts and the

  9. Transition probabilities of health states for workers in Malaysia using a Markov chain model

    Science.gov (United States)

    Samsuddin, Shamshimah; Ismail, Noriszura

    2017-04-01

    The aim of our study is to estimate the transition probabilities of health states for workers in Malaysia who contribute to the Employment Injury Scheme under the Social Security Organization Malaysia using the Markov chain model. Our study uses four states of health (active, temporary disability, permanent disability and death) based on the data collected from the longitudinal studies of workers in Malaysia for 5 years. The transition probabilities vary by health state, age and gender. The results show that men employees are more likely to have higher transition probabilities to any health state compared to women employees. The transition probabilities can be used to predict the future health of workers in terms of a function of current age, gender and health state.

  10. Chaotic Dynamics Mediates Brain State Transitions, Driven by Changes in Extracellular Ion Concentrations

    DEFF Research Database (Denmark)

    Rasmussen, Rune; H. Jensen, Mogens; L. Heltberg, Mathias

    2017-01-01

    Previous studies have suggested that changes in extracellular ion concentrations initiate the transition from an activity state that characterizes sleep in cortical neurons to states that characterize wakeful- ness. However, because neuronal activity and extra- cellular ion concentrations...... are interdependent, isolating their unique roles during sleep-wake transitions is not possible in vivo. Here, we extend the Averaged-Neuron model and demonstrate that, although changes in extracellular ion concentrations occur concurrently, decreasing the conductance of calcium-dependent potassium channels initiates...... the transition from sleep to wakefulness. We find that sleep is governed by stable, self-sustained oscillations in neuronal firing patterns, whereas the quiet awake state and active awake state are both governed by irregular oscillations and chaotic dynamics; transitions between these separable awake states...

  11. UP-DOWN cortical dynamics reflect state transitions in a bistable network.

    Science.gov (United States)

    Jercog, Daniel; Roxin, Alex; Barthó, Peter; Luczak, Artur; Compte, Albert; de la Rocha, Jaime

    2017-08-04

    In the idling brain, neuronal circuits transition between periods of sustained firing (UP state) and quiescence (DOWN state), a pattern the mechanisms of which remain unclear. Here we analyzed spontaneous cortical population activity from anesthetized rats and found that UP and DOWN durations were highly variable and that population rates showed no significant decay during UP periods. We built a network rate model with excitatory (E) and inhibitory (I) populations exhibiting a novel bistable regime between a quiescent and an inhibition-stabilized state of arbitrarily low rate. Fluctuations triggered state transitions, while adaptation in E cells paradoxically caused a marginal decay of E-rate but a marked decay of I-rate in UP periods, a prediction that we validated experimentally. A spiking network implementation further predicted that DOWN-to-UP transitions must be caused by synchronous high-amplitude events. Our findings provide evidence of bistable cortical networks that exhibit non-rhythmic state transitions when the brain rests.

  12. Identifying transition rates of ionic channels via observations at a single state

    CERN Document Server

    Deng Ying Chun; Qian Min Ping; Feng Jian Feng

    2003-01-01

    We consider how to determine all transition rates of an ion channel when it can be described by a birth-death chain or a Markov chain on a star-graph with continuous time. It is found that all transition rates are uniquely determined by the distribution of its lifetime and death-time histograms at a single state. An algorithm to calculate the transition rates exactly, based on the statistics of the lifetime and death-time of the Markov chain at the state, is provided. Examples to illustrate how an ion channel activity is fully determined by the observation of a single state of the ion channel are included.

  13. Identifying transition rates of ionic channels via observations at a single state

    International Nuclear Information System (INIS)

    Deng Yingchun; Peng Shenglun; Qian Minping; Feng Jianfeng

    2003-01-01

    We consider how to determine all transition rates of an ion channel when it can be described by a birth-death chain or a Markov chain on a star-graph with continuous time. It is found that all transition rates are uniquely determined by the distribution of its lifetime and death-time histograms at a single state. An algorithm to calculate the transition rates exactly, based on the statistics of the lifetime and death-time of the Markov chain at the state, is provided. Examples to illustrate how an ion channel activity is fully determined by the observation of a single state of the ion channel are included

  14. Identifying transition rates of ionic channels via observations at a single state

    Energy Technology Data Exchange (ETDEWEB)

    Deng Yingchun [School of Mathematics, Peking University, Beijing (China); Peng Shenglun [School of Mathematics, Peking University, Beijing (China); Qian Minping [School of Mathematics, Peking University, Beijing (China); Feng Jianfeng [COGS, Sussex University, Brighton (United Kingdom)

    2003-02-07

    We consider how to determine all transition rates of an ion channel when it can be described by a birth-death chain or a Markov chain on a star-graph with continuous time. It is found that all transition rates are uniquely determined by the distribution of its lifetime and death-time histograms at a single state. An algorithm to calculate the transition rates exactly, based on the statistics of the lifetime and death-time of the Markov chain at the state, is provided. Examples to illustrate how an ion channel activity is fully determined by the observation of a single state of the ion channel are included.

  15. Coherent state approach for the Φ6-lattice model and phase transitions

    International Nuclear Information System (INIS)

    Aguero-Granados, M.A.; Makhan'kov, V.G.

    1991-01-01

    Phase transitions in the lattice version of the Φ 6 -field theory are studied. The generalized coherent states approach to is used. In such a way the roles of kinks and bubbles in phase transitions have been reexamined. It is shown via a numerical analysis that first and second order phase transitions appear due to the behaviour of kinks and bubbles excitations. 12 refs.; 10 figs

  16. Transition Management: Case Study of an Energy Efficiency Technology Roadmap in Turkey

    Directory of Open Access Journals (Sweden)

    Şiir Kilkiş

    2014-12-01

    Full Text Available This paper integrates several streams of literature in transition management and proposes a holistic framework for its application in policy-making. Separate fields of study, such as motors of change and strategic intelligence tools, are unified in a single analytical process. The process involves five steps that may be repeated until a desired policy objective is achieved. The pilot, integrated technology roadmap process that has been launched in Turkey is analyzed as a case study. The Energy Efficiency Technology Roadmap has been completed with the participation of over 160 experts in 5 different stages. It involved the collection of over 349 Delfi statements, their consolidation for a Delfi survey with 16 statements, the analysis of the results, a focal group meeting to develop roadmaps for the 7 selected goals, and the consultation of the roadmaps to the sector. The paper concludes that an integrated technology roadmap process, as described in the pilot case study, provides an advanced version of transition management, which is needed to mobilize research, development, and innovation for sustainable development.

  17. First determination of the e/π separation efficiency of the ZEUS transition radiation detector

    International Nuclear Information System (INIS)

    Mengel, S.

    1995-12-01

    The Transition Radiation Detector of the ZEUS experiment at DESY is one of its main instruments for electron identification. It started to operate partly in 1993 and for the first time with its four modules in 1994. One of its main features is a Time Expansion Chamber to detect the transition radiation of electrons together with the ionisation energy loss of the particle tracks. The first data taken under realistic environmental conditions served as tool to find appropriate running conditions and procedures for data treatment. The main aim however was to show that the detector is sensitive to electrons and to evaluate its rejection power. This analysis describes the on-line and off-line data processing required to exploit the information contained in the raw data. Concepts for detector cross channel calibration and signal recombination are presented. The effect of different running conditions is discussed. To determine the rejection power a data selection was performed extracting electrons and hadrons using all means except the TRD. The response of the TRD to these data samples was compared and a clear sensitivity for electrons was found. Using different likelihood methods values for separation power are derived. The hadron suppression obtained at 90% electron efficiency is - for momenta from 1 to 3 GeV/c - between 27% to 10%, which is already close to the design/test chamber results of 9% to 1.7%. As a projection for close-to-optimum running conditions a hadron suppression from 12% to 2% was obtained. (orig.)

  18. High-spin states and coexisting states in the Pt-Au transition region

    International Nuclear Information System (INIS)

    Riedinger, L.L.; Carpenter, M.P.; Courtney, L.H.; Janzen, V.P.; Schmitz, W.

    1986-01-01

    High-spin states in the N = 104 to 108 region have been studied by in-beam spectroscopy techniques in a number of Ir, Pt, and Au nuclei. These measurements have been performed at tandem Van de Graaff facilities at the Oak Ridge National Laboratory and at McMaster University. Through comparison of band crossings in a variety of odd-A and even-A nuclei, we are able to assign the first neutron and first proton alignment processes, which are nearly degenerate for 184 Pt. These measurements yield the trend of these crossing frequencies with N and Z in this region. Knowledge of this trend is important, since these crossing frequencies can give an estimate of how the shape parameters vary across this transitional region. 22 refs., 7 figs., 1 tab

  19. High efficiency solid-state sensitized heterojunction photovoltaic device

    KAUST Repository

    Wang, Mingkui

    2010-06-01

    The high molar extinction coefficient heteroleptic ruthenium dye, NaRu(4,4′-bis(5-(hexylthio)thiophen-2-yl)-2,2′-bipyridine) (4-carboxylic acid-4′-carboxylate-2,2′-bipyridine) (NCS) 2, exhibits certified 5% electric power conversion efficiency at AM 1.5 solar irradiation (100 mW cm-2) in a solid-state dye-sensitized solar cell using 2,2′,7,7′-tetrakis-(N,N-di-pmethoxyphenylamine)-9, 9′-spirobifluorene (spiro-MeOTAD) as the organic hole-transporting material. This demonstration elucidates a class of photovoltaic devices with potential for low-cost power generation. © 2010 Elsevier Ltd. All rights reserved.

  20. An efficient algebraic approach to observability analysis in state estimation

    Energy Technology Data Exchange (ETDEWEB)

    Pruneda, R.E.; Solares, C.; Conejo, A.J. [University of Castilla-La Mancha, 13071 Ciudad Real (Spain); Castillo, E. [University of Cantabria, 39005 Santander (Spain)

    2010-03-15

    An efficient and compact algebraic approach to state estimation observability is proposed. It is based on transferring rows to columns and vice versa in the Jacobian measurement matrix. The proposed methodology provides a unified approach to observability checking, critical measurement identification, determination of observable islands, and selection of pseudo-measurements to restore observability. Additionally, the observability information obtained from a given set of measurements can provide directly the observability obtained from any subset of measurements of the given set. Several examples are used to illustrate the capabilities of the proposed methodology, and results from a large case study are presented to demonstrate the appropriate computational behavior of the proposed algorithms. Finally, some conclusions are drawn. (author)

  1. High efficiency solid-state sensitized heterojunction photovoltaic device

    KAUST Repository

    Wang, Mingkui; Liu, Jingyuan; Cevey-Ha, Ngoc-Le; Moon, Soo-Jin; Liska, Paul; Humphry-Baker, Robin; Moser, Jacques-E.; Grä tzel, Carole; Wang, Peng; Zakeeruddin, Shaik M.

    2010-01-01

    The high molar extinction coefficient heteroleptic ruthenium dye, NaRu(4,4′-bis(5-(hexylthio)thiophen-2-yl)-2,2′-bipyridine) (4-carboxylic acid-4′-carboxylate-2,2′-bipyridine) (NCS) 2, exhibits certified 5% electric power conversion efficiency at AM 1.5 solar irradiation (100 mW cm-2) in a solid-state dye-sensitized solar cell using 2,2′,7,7′-tetrakis-(N,N-di-pmethoxyphenylamine)-9, 9′-spirobifluorene (spiro-MeOTAD) as the organic hole-transporting material. This demonstration elucidates a class of photovoltaic devices with potential for low-cost power generation. © 2010 Elsevier Ltd. All rights reserved.

  2. Liquid state properties of certain noble and transition metals

    International Nuclear Information System (INIS)

    Bhuiyan, G.M.; Rahman, A.; Khaleque, M.A.; Rashid, R.I.M.A.; Mujibur Rahman, S.M.

    1998-07-01

    Certain structural, thermodynamic and atomic transport properties of a number of liquid noble and transition metals are reported. The underlying theory combines together a simple form of the N-body potential and the thermodynamically self-consistent variational modified hypernetted chain (VMHNC) theory of liquid. The static structure factors calculated by using the VMHNC resemble the hard sphere (HS) values. Consequently the HS model is used to calculate the thermodynamic properties viz. specific heat, entropy, isothermal compressibility and atomic transport properties. (author)

  3. Change of State of a Dynamical Unit in the Transition of Coherence

    International Nuclear Information System (INIS)

    Yang Yan-Jin; Du Ru-Hai; Wang Sheng-Jun; Jin Tao; Qu Shi-Xian

    2015-01-01

    The change of state of one map in the network of nonlocal coupled logistic maps at the transition of coherence is studied. With the increase of coupling strength, the network dynamics transits from the incoherent state into the coherent state. In the process, the iteration of the map first changes from chaos to period state, then from periodic to chaotic state again. For the periodic doubling bifurcations, similar to an isolated map, the largest Lyapunov exponent tends to zero from a negative value. However, the states of coupled maps exhibit complex behavior rather than converge to a few fixed values. The behavior brings a new chimera state of coupled logistic maps. The bifurcation diagram is identical to the phase order of maps iterations. For the bifurcation between 1-band and multi-band chaos, the symmetry of chaotic bands emerges and the transition of the order of iteration direction occurs

  4. Study on State Transition Method Applied to Motion Planning for a Humanoid Robot

    Directory of Open Access Journals (Sweden)

    Xuyang Wang

    2008-11-01

    Full Text Available This paper presents an approach of motion planning for a humanoid robot using a state transition method. In this method, motion planning is simplified by introducing a state-space to describe the whole motion series. And each state in the state-space corresponds to a contact state specified during the motion. The continuous motion is represented by a sequence of discrete states. The concept of the transition between two neighboring states, that is the state transition, can be realized by using some traditional path planning methods. Considering the dynamical stability of the robot, a state transition method based on search strategy is proposed. Different sets of trajectories are generated by using a variable 5th-order polynomial interpolation method. After quantifying the stabilities of these trajectories, the trajectories with the largest stability margin are selected as the final state transition trajectories. Rising motion process is exemplified to validate the method and the simulation results show the proposed method to be feasible and effective.

  5. Molecular water oxidation mechanisms followed by transition metals: state of the art.

    Science.gov (United States)

    Sala, Xavier; Maji, Somnath; Bofill, Roger; García-Antón, Jordi; Escriche, Lluís; Llobet, Antoni

    2014-02-18

    One clean alternative to fossil fuels would be to split water using sunlight. However, to achieve this goal, researchers still need to fully understand and control several key chemical reactions. One of them is the catalytic oxidation of water to molecular oxygen, which also occurs at the oxygen evolving center of photosystem II in green plants and algae. Despite its importance for biology and renewable energy, the mechanism of this reaction is not fully understood. Transition metal water oxidation catalysts in homogeneous media offer a superb platform for researchers to investigate and extract the crucial information to describe the different steps involved in this complex reaction accurately. The mechanistic information extracted at a molecular level allows researchers to understand both the factors that govern this reaction and the ones that derail the system to cause decomposition. As a result, rugged and efficient water oxidation catalysts with potential technological applications can be developed. In this Account, we discuss the current mechanistic understanding of the water oxidation reaction catalyzed by transition metals in the homogeneous phase, based on work developed in our laboratories and complemented by research from other groups. Rather than reviewing all of the catalysts described to date, we focus systematically on the several key elements and their rationale from molecules studied in homogeneous media. We organize these catalysts based on how the crucial oxygen-oxygen bond step takes place, whether via a water nucleophilic attack or via the interaction of two M-O units, rather than based on the nuclearity of the water oxidation catalysts. Furthermore we have used DFT methodology to characterize key intermediates and transition states. The combination of both theory and experiments has allowed us to get a complete view of the water oxidation cycle for the different catalysts studied. Finally, we also describe the various deactivation pathways for

  6. Efficient determination of the Markovian time-evolution towards a steady-state of a complex open quantum system

    Science.gov (United States)

    Jonsson, Thorsteinn H.; Manolescu, Andrei; Goan, Hsi-Sheng; Abdullah, Nzar Rauf; Sitek, Anna; Tang, Chi-Shung; Gudmundsson, Vidar

    2017-11-01

    Master equations are commonly used to describe time evolution of open systems. We introduce a general computationally efficient method for calculating a Markovian solution of the Nakajima-Zwanzig generalized master equation. We do so for a time-dependent transport of interacting electrons through a complex nano scale system in a photon cavity. The central system, described by 120 many-body states in a Fock space, is weakly coupled to the external leads. The efficiency of the approach allows us to place the bias window defined by the external leads high into the many-body spectrum of the cavity photon-dressed states of the central system revealing a cascade of intermediate transitions as the system relaxes to a steady state. The very diverse relaxation times present in the open system, reflecting radiative or non-radiative transitions, require information about the time evolution through many orders of magnitude. In our approach, the generalized master equation is mapped from a many-body Fock space of states to a Liouville space of transitions. We show that this results in a linear equation which is solved exactly through an eigenvalue analysis, which supplies information on the steady state and the time evolution of the system.

  7. Steps for Implementing a State-Level Professional Development Plan for Secondary Transition

    Science.gov (United States)

    Mazzotti, Valerie L.; Rowe, Dawn A.; Simonsen, Monica; Boaz, Bonnie; VanAvery, Cynthia

    2018-01-01

    To scale up and sustain the use of evidence-based practices, it is imperative that state education agencies systematically implement professional development that represents best practice. By delivering quality professional development to local districts, it is more likely that transition personnel will implement transition programs and practices…

  8. Observation of electric quadrupole transitions to Rydberg nd states of ultracold rubidium atoms

    NARCIS (Netherlands)

    Tong, D.; Farooqi, S.M.; Kempen, van E.G.M.; Pavlovic, Z.; Stanojevic, J.; Coté, R.; Eyler, E.E.; Gould, P.L.

    2009-01-01

    We report the observation of dipole-forbidden, but quadrupole-allowed, one-photon transitions to high-Rydberg states in Rb. Using pulsed uv excitation of ultracold atoms in a magneto-optical trap, we excite 5s¿nd transitions over a range of principal quantum numbers n=27–59. Compared to

  9. Equation of state description of the dark energy transition between quintessence and phantom regimes

    International Nuclear Information System (INIS)

    Stefancic, Hrvoje

    2006-01-01

    The dark energy crossing of the cosmological constant boundary (the transition between the quintessence and phantom regimes) is described in terms of the implicitly defined dark energy equation of state. The generalizations of the models explicitly constructed to exhibit the crossing provide the insight into the cancellation mechanism which makes the transition possible

  10. Absolute E0 and E2 transition rates and collective states in 116Sn

    International Nuclear Information System (INIS)

    Kantele, J.; Julin, R.; Luontama, M.; Passoja, A.; Poikolainen, T.; Baecklin, A.; Jonsson, N.-G.

    1978-08-01

    Absolute E0 and E2 transition rates in 116 Sn have been measured using several newly developed techniques. Many E2 transitions are observed to have a collective character with B(E2) values of up to 60 W.u. The presence of deformed excited states in 116 Sn is discussed in view of the results obtained. (author)

  11. Estimation and asymptotic theory for transition probabilities in Markov Renewal Multi–state models

    NARCIS (Netherlands)

    Spitoni, C.; Verduijn, M.; Putter, H.

    2012-01-01

    In this paper we discuss estimation of transition probabilities for semi–Markov multi–state models. Non–parametric and semi–parametric estimators of the transition probabilities for a large class of models (forward going models) are proposed. Large sample theory is derived using the functional

  12. Formation of a Ξ-hypernucleus and transitions to double-Λ states

    International Nuclear Information System (INIS)

    Ikeda, Kiyomi; Takahashi, Miho; Fukuda, Tomokazu; Motoba, Toshio; Yamamoto, Yasuo.

    1993-06-01

    A scenario is given for the formation of Ξ - states and the transitions to states with double-Λ in anticipation of observations, especially in the KEK-E224 experiment. First, the production cross sections of Ξ - hypernuclear states by (K - , K + ) reactions are calculated within the framework of the distorted-wave impulse approximation. Next, the transition rates from Ξ - hypernuclear states to possible double-Λ states are obtained, which are closely related to single- and double-Λ emissions after the Ξ - p→ΛΛ conversion in nuclei. (author)

  13. Probing the transition state for nucleic acid hybridization using phi-value analysis.

    Science.gov (United States)

    Kim, Jandi; Shin, Jong-Shik

    2010-04-27

    Genetic regulation by noncoding RNA elements such as microRNA and small interfering RNA (siRNA) involves hybridization of a short single-stranded RNA with a complementary segment in a target mRNA. The physical basis of the hybridization process between the structured nucleic acids is not well understood primarily because of the lack of information about the transition-state structure. Here we use transition-state theory, inspired by phi-value analysis in protein folding studies, to provide quantitative analysis of the relationship between changes in the secondary structure stability and the activation free energy. Time course monitoring of the hybridization reaction was performed under pseudo-steady-state conditions using a single fluorophore. The phi-value analysis indicates that the native secondary structure remains intact in the transition state. The nativelike transition state was confirmed via examination of the salt dependence of the hybridization kinetics, indicating that the number of sodium ions associated with the transition state was not substantially affected by changes in the native secondary structure. These results propose that hybridization between structured nucleic acids undergoes a transition state leading to formation of a nucleation complex and then is followed by sequential displacement of preexisting base pairings involving successive small energy barriers. The proposed mechanism might provide new insight into physical processes during small RNA-mediated gene silencing, which is essential to selection of a target mRNA segment for siRNA design.

  14. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    KAUST Repository

    Vandewal, Koen

    2013-11-17

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

  15. Efficient charge generation by relaxed charge-transfer states at organic interfaces

    KAUST Repository

    Vandewal, Koen; Albrecht, Steve N.; Hoke, Eric T.; Graham, Kenneth; Widmer, Johannes; Douglas, Jessica D.; Schubert, Marcel; Mateker, William R.; Bloking, Jason T.; Burkhard, George F.; Sellinger, Alan; Frechet, Jean; Amassian, Aram; Riede, Moritz Kilian; McGehee, Michael D.; Neher, Dieter; Salleo, Alberto

    2013-01-01

    Interfaces between organic electron-donating (D) and electron-accepting (A) materials have the ability to generate charge carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold via weakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer:fullerene, small-molecule:C60 and polymer:polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. © 2014 Macmillan Publishers Limited.

  16. Finite-time quantum-to-classical transition for a Schroedinger-cat state

    International Nuclear Information System (INIS)

    Paavola, Janika; Hall, Michael J. W.; Paris, Matteo G. A.; Maniscalco, Sabrina

    2011-01-01

    The transition from quantum to classical, in the case of a quantum harmonic oscillator, is typically identified with the transition from a quantum superposition of macroscopically distinguishable states, such as the Schroedinger-cat state, into the corresponding statistical mixture. This transition is commonly characterized by the asymptotic loss of the interference term in the Wigner representation of the cat state. In this paper we show that the quantum-to-classical transition has different dynamical features depending on the measure for nonclassicality used. Measures based on an operatorial definition have well-defined physical meaning and allow a deeper understanding of the quantum-to-classical transition. Our analysis shows that, for most nonclassicality measures, the Schroedinger-cat state becomes classical after a finite time. Moreover, our results challenge the prevailing idea that more macroscopic states are more susceptible to decoherence in the sense that the transition from quantum to classical occurs faster. Since nonclassicality is a prerequisite for entanglement generation our results also bridge the gap between decoherence, which is lost only asymptotically, and entanglement, which may show a ''sudden death''. In fact, whereas the loss of coherences still remains asymptotic, we emphasize that the transition from quantum to classical can indeed occur at a finite time.

  17. State and Federal project development procedures for bus rapid transit : managing differences and reducing implementation delays

    Science.gov (United States)

    2011-08-01

    This report documents an investigation into the transportation project development process in the : context of the implementation of bus rapid transit systems on the State Highway System as well as such : systems being part of the Federal New Starts ...

  18. Energy Efficiency/Renewable Energy Programs in State Implementation Plans - Guidance Documents

    Science.gov (United States)

    final document that provides guidance to States and local areas on quantifying and including emission reductions from energy efficiency and renewable energy measures in State Implementation Plans (SIPS).

  19. Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states

    Science.gov (United States)

    Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui

    2016-04-01

    Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.

  20. Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states

    International Nuclear Information System (INIS)

    Qiao, Qin; Zhang, Hou-Dao; Huang, Xuhui

    2016-01-01

    Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.

  1. Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states

    Energy Technology Data Exchange (ETDEWEB)

    Qiao, Qin, E-mail: qqiao@ust.hk; Zhang, Hou-Dao [Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Huang, Xuhui, E-mail: xuhuihuang@ust.hk [Department of Chemistry, Division of Biomedical Engineering, Center of Systems Biology and Human Health, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); The HKUST Shenzhen Research Institute, Shenzhen (China)

    2016-04-21

    Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.

  2. Role of Chemical Reactivity and Transition State Modeling for Virtual Screening.

    Science.gov (United States)

    Karthikeyan, Muthukumarasamy; Vyas, Renu; Tambe, Sanjeev S; Radhamohan, Deepthi; Kulkarni, Bhaskar D

    2015-01-01

    Every drug discovery research program involves synthesis of a novel and potential drug molecule utilizing atom efficient, economical and environment friendly synthetic strategies. The current work focuses on the role of the reactivity based fingerprints of compounds as filters for virtual screening using a tool ChemScore. A reactant-like (RLS) and a product- like (PLS) score can be predicted for a given compound using the binary fingerprints derived from the numerous known organic reactions which capture the molecule-molecule interactions in the form of addition, substitution, rearrangement, elimination and isomerization reactions. The reaction fingerprints were applied to large databases in biology and chemistry, namely ChEMBL, KEGG, HMDB, DSSTox, and the Drug Bank database. A large network of 1113 synthetic reactions was constructed to visualize and ascertain the reactant product mappings in the chemical reaction space. The cumulative reaction fingerprints were computed for 4000 molecules belonging to 29 therapeutic classes of compounds, and these were found capable of discriminating between the cognition disorder related and anti-allergy compounds with reasonable accuracy of 75% and AUC 0.8. In this study, the transition state based fingerprints were also developed and used effectively for virtual screening in drug related databases. The methodology presented here provides an efficient handle for the rapid scoring of molecular libraries for virtual screening.

  3. Modeling of charge-transfer transitions and excited states in d6 transition metal complexes by DFT techniques

    Czech Academy of Sciences Publication Activity Database

    Vlček, Antonín; Záliš, Stanislav

    2007-01-01

    Roč. 251, 3-4 (2007), s. 258-287 ISSN 0010-8545 R&D Projects: GA MŠk 1P05OC068; GA MŠk OC 139 Institutional research plan: CEZ:AV0Z40400503 Keywords : charge-transfer transition * DFT technique * excited states * spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 8.568, year: 2007

  4. 40 CFR 70.4 - State program submittals and transition.

    Science.gov (United States)

    2010-07-01

    ... description in narrative form of the scope, structure, coverage, and processes of the State program. (ii) A description of the organization and structure of the agency or agencies that will have responsibility for... strategies). (5) A complete description of the State's compliance tracking and enforcement program or...

  5. Walking associated with public transit: moving toward increased physical activity in the United States.

    Science.gov (United States)

    Freeland, Amy L; Banerjee, Shailendra N; Dannenberg, Andrew L; Wendel, Arthur M

    2013-03-01

    We assessed changes in transit-associated walking in the United States from 2001 to 2009 and documented their importance to public health. We examined transit walk times using the National Household Travel Survey, a telephone survey administered by the US Department of Transportation to examine travel behavior in the United States. People are more likely to transit walk if they are from lower income households, are non-White, and live in large urban areas with access to rail systems. Transit walkers in large urban areas with a rail system were 72% more likely to transit walk 30 minutes or more per day than were those without a rail system. From 2001 to 2009, the estimated number of transit walkers rose from 7.5 million to 9.6 million (a 28% increase); those whose transit-associated walking time was 30 minutes or more increased from approximately 2.6 million to 3.4 million (a 31% increase). Transit walking contributes to meeting physical activity recommendations. Study results may contribute to transportation-related health impact assessment studies evaluating the impact of proposed transit systems on physical activity, potentially influencing transportation planning decisions.

  6. MARKETING PLANNING: STATE OF THE ARTIN A TRANSITIONAL ECONOMY

    Directory of Open Access Journals (Sweden)

    Tamara Jovanov Marjanova

    2014-07-01

    Full Text Available This paper is provoked by the distorted marketing practices of companies that operate in a transitional economy, specifically Republic of Macedonia.The analysis has two main purposes: 1. to identify the weaknesses in the marketing planning process, 2. to prove the connection of continuous formal marketing planning with business performance, i.e.profitability and market share. Datawasobtainedfromprimary and secondaryresearch. Primary research was conducted in the food, i.e. confectionery industry, with two techniques – survey and interview with the managers of 38% of the registered companies in the industry. Secondary research was based onbooks, journals, web-cites.The analysiswasexecutedwith IBM SPSS 19. Conclusionsare provided through descriptive and deductive statistical analysis. The findings show that the companies have multiple weaknesses in the marketing planning process (continuous formal marketing planning occurs rarely, there is lack of knowledge regarding the systematic planning process and a tendency of misuse of analytical tools. Additionally, a connection and dependence of business performance on continuous formal marketing planning was found. Limitations arise from the sample size and the (one chosen industry sector. However, there are evident practical and social implicationswhich can contribute to better competitiveness:possibilities for correction of current practices and development of a systematic marketing planning process. This research is of a great value on a national level because it is one of few that analyzes this subject through primary data. Also, the results can be consulted by researchers and practitioners from other transitional economies.

  7. Glass Transitions in a Monatomic Liquid with Two Glassy States

    Science.gov (United States)

    Gordon, Andrew; Giovambattista, Nicolas

    2014-04-01

    We perform out-of-equilibrium molecular dynamics simulations of a monatomic liquid that exhibits liquid and glass polymorphism, with two distinct glasses, low- (LDA) and high-density (HDA) amorphous solids. By performing isobaric heating simulations of LDA and HDA at different pressures, we determine (a) the glass transition temperature of LDA and HDA, TgLDA(P) and TgHDA(P), as well as (b) the corresponding glass-glass transformation temperatures, TLDA-HDA(P) and THDA-LDA(P). It is found that TgLDA(P) is anomalous; i.e., it decreases with increasing pressure, while TgHDA(P) increases with increasing pressure. Interestingly, the TgLDA(P) and TLDA-HDA(P) loci, as well as the TgHDA(P) and THDA-LDA(P) loci, constitute smooth single lines in the P -T plane, suggesting that heating-induced glass-glass and glass transitions are related. We discuss the present results in the context of water experiments and simulations.

  8. New transition in the vortex liquid state of YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Kwok, Wai-Kwong; Karapetrov, Goran; Welp, Ulrich; Rydh, Andreas; Crabtree, George W.; Paulius, Lisa; Figueras, Jordi; Puig, Teresa; Obradors, X.

    2006-01-01

    We have carried out angular dependent magneto-transport measurements on optimally doped, untwinned YBa 2 Cu 3 O 7-δ crystals irradiated with high energy heavy ions to determine the onset of vortex line tension in the vortex liquid state. The dose matching field was controlled and kept at a low level to partially preserve the first order vortex lattice melting transition. A Bose glass transition is observed below the lower critical point which then transforms into a first order phase transition near 4 T. We find that the locus of points which indicates the onset of vortex line tension overlaps with the Bose glass transition line at low fields and then deviates at higher fields, indicating a new transition line in the vortex liquid state. This new line in the vortex liquid phase is dose independent and extends beyond the upper critical point

  9. Topological quantum phase transitions and edge states in spin-orbital coupled Fermi gases.

    Science.gov (United States)

    Zhou, Tao; Gao, Yi; Wang, Z D

    2014-06-11

    We study superconducting states in the presence of spin-orbital coupling and Zeeman field. It is found that a phase transition from a Fulde-Ferrell-Larkin-Ovchinnikov state to the topological superconducting state occurs upon increasing the spin-orbital coupling. The nature of this topological phase transition and its critical property are investigated numerically. Physical properties of the topological superconducting phase are also explored. Moreover, the local density of states is calculated, through which the topological feature may be tested experimentally.

  10. Rapid Communication: seniority changing transitions in yrast states ...

    Indian Academy of Sciences (India)

    Bhoomika Maheshwari

    2017-10-26

    Oct 26, 2017 ... Rapid Communication: v = 2 seniority changing ... has been extensively used to understand various system- .... states. This understanding supports the previous inter- ..... Financial support from the Ministry of Human Resource.

  11. Superconducting states and depinning transitions of Josephson ladders

    International Nuclear Information System (INIS)

    Barahona, M.; Strogatz, S.H.; Orlando, T.P.

    1998-01-01

    We present analytical and numerical studies of pinned superconducting states of open-ended Josephson ladder arrays, neglecting inductances but taking edge effects into account. Treating the edge effects perturbatively, we find analytical approximations for three of these superconducting states emdash the no-vortex, fully frustrated, and single-vortex states emdash as functions of the dc bias current I and the frustration f. Bifurcation theory is used to derive formulas for the depinning currents and critical frustrations at which the superconducting states disappear or lose dynamical stability as I and f are varied. These results are combined to yield a zero-temperature stability diagram of the system with respect to I and f. To highlight the effects of the edges, we compare this dynamical stability diagram to the thermodynamic phase diagram for the infinite system where edges have been neglected. We briefly indicate how to extend our methods to include self-inductances. copyright 1998 The American Physical Society

  12. The United States and China in Power Transition

    Science.gov (United States)

    2011-12-01

    requirement for a state is survival. In an international system where states operate under anarchy (without a higher authority above them) and each...See Bon- nie S. Glaser and Evan S. Medeiros, “The Changing Ecology of Foreign Policy-making in China: the Ascension and Demise of the Theory of...enticement of foreign investment,163 increased efforts on ecologi - cal protection (such as reforestation164), promotion of education,165 and

  13. Shape transition of state density for bosonic systems

    Indian Academy of Sciences (India)

    ... while the shape of the state density for EGOE(2) with m ≫ 2, is close to Gaussian. The change in shape of the state density, from semicircle to Gaussian for EGOE(k), as m increases from k to m ≫ k for fermions, has been explained mathematically by Mon and French [4] and also by Benet. Pramana – J. Phys., Vol. 81, No.

  14. Evidence from n=2 fine structure transitions for the production of fast excited state positronium

    International Nuclear Information System (INIS)

    Ley, R.; Niebling, K.D.; Schwarz, R.; Werth, G.

    1990-01-01

    Fine structure transitions in the first excited state of positronium (Ps) have been measured using 'Backscatter Ps' production on a Mo surface by observation of a change in the emitted Lyman-α intensity under resonant microwave irradiation. Production, fine structure transitions and Lyman-α decay of the Ps atoms took place inside a waveguide designed to transmit the microwave frequencies of 8.6, 13.0 and 18.5 GHz for the transitions from the 2 3 S 1 state to the 2 3 P J , J=2, 1, 0, states, respectively. In the presence of a magnetic field, all transitions observed show a shift to higher frequencies, compared with earlier calculations and measurements in zero magnetic field. The deviations exceed the expected Zeeman shift significantly but may be explained by assuming a motional Stark effect for Ps with kinetic energies of several eV. (author)

  15. Employment outcomes of transition-aged adults with autism spectrum disorders: a state of the States report.

    Science.gov (United States)

    Burgess, Sloane; Cimera, Robert E

    2014-01-01

    The primary purpose of this study was to evaluate the employment outcomes of transition-aged adults with autism spectrum disorders (ASD) served by vocational rehabilitation services (VR) over the last 10 years by state. A secondary purpose was to compare employment outcomes of individuals with ASD to those of the overall transition-aged population served by VR for the same time period. Although there was variability both within and among states, the results of this study indicate that, over time, the number of young adults with ASD seeking VR services has increased; however, employment outcomes including the percent of adults with ASD achieving employment, the number of hours worked, and wages earned have not improved for this group. The cost to provide VR services to transition-aged adults with ASD was relatively stable over time. Transition-aged adults with ASD were more likely to become successfully employed as a result of receiving VR services than the overall population of transition-aged adults served by VR. However, the employed transition-aged adults consistently worked fewer hours and earned lower wages than those in the overall population. Factors that may influence variability within and among states, and between groups, and implications for research and practice are discussed.

  16. STATE AND EFFICIENCY OF MANAGEMENT OF AGROECOSYSTEM SERVICES – THE CASE OF BULGARIA

    Directory of Open Access Journals (Sweden)

    HRABRIN BACHEV

    2010-01-01

    Full Text Available This paper incorporates New Institutional Economics and analyzes the state and efficiency of management of agro-ecosystem services in Bulgaria. Firstly, it presents framework of analyses of management of agro-ecosystem services including: definition of agroecosystem services and its management; specification of management needs and spectrum of governing modes (institutions, market, private, public, hybrid; assessment of efficiency of different form of management in terms of potential to protect eco-rights and investments, assure socially desirable level of agro-ecosystem services, minimize costs, coordinate and stimulate eco-activities, meet preferences and reconcile conflicts of related agents. Secondly, it identifies and assesses the management of agro-ecosystem services in Bulgaria. Transition and EU integration have brought about significant changes in the state and management of agroecosystems services in the country. Newly evolved market, private and public governance have led to a significant improvement of a part of agro-ecosystems services introducing modern ecostandards and public support, enhancing environmental stewardship, disintensifyingproduction, recovering landscape and traditional productions, diversifying quality, products,and services. At the same time, the novel eco-management is associated with new challenges such as unsustainable exploitation, lost biodiversity, land degradation, water and air contamination. Moreover, implementation of EU common policies would have no desired impact on agro-ecosystem services unless special measures are taken to improve management of public programs, and extend public support to dominating small-scale and subsistence farms.

  17. Quantum phase transitions between a class of symmetry protected topological states

    Energy Technology Data Exchange (ETDEWEB)

    Tsui, Lokman; Jiang, Hong-Chen; Lu, Yuan-Ming; Lee, Dung-Hai

    2015-07-01

    The subject of this paper is the phase transition between symmetry protected topological states (SPTs). We consider spatial dimension d and symmetry group G so that the cohomology group, Hd+1(G,U(1)), contains at least one Z2n or Z factor. We show that the phase transition between the trivial SPT and the root states that generate the Z2n or Z groups can be induced on the boundary of a (d+1)-dimensional View the MathML source-symmetric SPT by a View the MathML source symmetry breaking field. Moreover we show these boundary phase transitions can be “transplanted” to d dimensions and realized in lattice models as a function of a tuning parameter. The price one pays is for the critical value of the tuning parameter there is an extra non-local (duality-like) symmetry. In the case where the phase transition is continuous, our theory predicts the presence of unusual (sometimes fractionalized) excitations corresponding to delocalized boundary excitations of the non-trivial SPT on one side of the transition. This theory also predicts other phase transition scenarios including first order transition and transition via an intermediate symmetry breaking phase.

  18. TRANSIT

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. TRANSIT. SYSTEM: DETERMINE 2D-POSITION GLOBALLY BUT INTERMITTENT (POST-FACTO). IMPROVED ACCURACY. PRINCIPLE: POLAR SATELLITES WITH INNOVATIONS OF: GRAVITY-GRADIENT ATTITUDE CONTROL; DRAG COMPENSATION. WORKS ...

  19. Travel Patterns And Characteristics Of Transit Users In New York State

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Ho-Ling [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wilson, Daniel W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Reuscher, Tim [Macrosys, Arlington, VA (United States); Chin, Shih-Miao [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Taylor, Rob D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-12-01

    This research is a detailed examination of the travel behaviors and patterns of transit users within New York State (NYS), primarily based on travel data provided by the National Household Travel Survey (NHTS) in 2009 and the associated Add-on sample households purchased by the New York State Department of Transportation (NYSDOT). Other data sources analyzed in this study include: NYS General Transit Feed Specification (GTFS) to assist in analyzing spatial relationships for access to transit and the creation of Transit Shed geographic areas of 1, 2.5, and 5 miles from transit stop locations, LandScan population database to understand transit coverage, and Census Bureau s American Community Survey (ACS) data to examine general transit patterns and trends in NYS over time. The majority of analyses performed in this research aimed at identifying transit trip locations, understanding differences in transit usage by traveler demographics, as well as producing trip/mode-specific summary statistics including travel distance, trip duration, time of trip, and travel purpose of transit trips made by NYS residents, while also analyzing regional differences and unique travel characteristics and patterns. The analysis was divided into two aggregated geographic regions: New York Metropolitan Transportation Council (NYMTC) and NYS minus NYMTC (Rest of NYS). The inclusion of NYMTC in all analysis would likely produce misleading conclusions for other regions in NYS. TRANSIT COVERAGE The NYS transit network has significant coverage in terms of transit stop locations across the state s population. Out of the 19.3 million NYS population in 2011, about 15.3 million (or 79%) resided within the 1-mile transit shed. This NYS population transit coverage increased to 16.9 million (or 88%) when a 2.5-mile transit shed was considered; and raised to 17.7 million (or 92%) when the 5-mile transit shed was applied. KEY FINDINGS Based on 2009 NHTS data, about 40% of NYMTC households used transit

  20. Secure and Efficient Electricity Supply. During the Transition to Low Carbon Power Systems

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-07-01

    Electricity shortages can paralyse our modern economies. All governments fear rolling black-outs and their economic consequences, especially in economies increasingly based on digital technologies. Over the last two decades, the development of markets for power has produced cost reduction, technological innovation, increased cross border trade and assured a steady supply of electricity. Now, IEA countries face the challenge of maintaining security of electricity supply during the transition to low-carbon economies. Low-carbon policies are pushing electricity markets into novel territories at a time when most of the generation and network capacity will have to be replaced. Most notably, wind and solar generation, now an integral part of electricity markets, can present new operating and investment challenges for generation, networks and the regional integration of electricity markets. In addition, the resilience of power systems facing more frequent natural disasters is also of increasing concern. IEA Ministers mandated the Secretariat to work on the Electricity Security Action Plan (ESAP), expanding to electricity the energy security mission of the IEA. This paper outlines the key conclusions and policy recommendations to ''keep the lights on'' while reducing CO2 emissions and increasing the efficiency.

  1. Efficient collective influence maximization in cascading processes with first-order transitions

    Science.gov (United States)

    Pei, Sen; Teng, Xian; Shaman, Jeffrey; Morone, Flaviano; Makse, Hernán A.

    2017-01-01

    In many social and biological networks, the collective dynamics of the entire system can be shaped by a small set of influential units through a global cascading process, manifested by an abrupt first-order transition in dynamical behaviors. Despite its importance in applications, efficient identification of multiple influential spreaders in cascading processes still remains a challenging task for large-scale networks. Here we address this issue by exploring the collective influence in general threshold models of cascading process. Our analysis reveals that the importance of spreaders is fixed by the subcritical paths along which cascades propagate: the number of subcritical paths attached to each spreader determines its contribution to global cascades. The concept of subcritical path allows us to introduce a scalable algorithm for massively large-scale networks. Results in both synthetic random graphs and real networks show that the proposed method can achieve larger collective influence given the same number of seeds compared with other scalable heuristic approaches. PMID:28349988

  2. The state of energy efficiency in Canada 2006 report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2006-07-01

    This report reviewed energy efficiency strategies in Canada's economic sector, and provided information on the contributions made by various energy efficiency initiatives administered by Natural Resources Canada through its Office of Energy Efficiency. Energy use in Canada increased by 22 per cent between 1990 and 2003, in contrast to the 32 per cent anticipated without energy efficiency increases. Energy-related greenhouse gas (GHG) emissions were 52 megatonnes lower than they would have been without energy efficiency programs, indicating that strong and measurable progress has been made. In the residential sector, the combined effects of a 26 per cent increase in activity, an increase in energy demand due to weather, and an increase in the average number of appliances per household were partly offset by a 19 per cent improvement in energy efficiency. A 45 per cent increase in industrial activity along with a 13 per cent improvement in energy efficiency between 1990-2003 was noted. A 15 per cent increase in passenger transportation and a 40 per cent increase in freight transportation were offset by a 16 per cent improvement in energy efficiency. Basic policy instruments were reviewed, as well as information and voluntary programs, direct financial incentives, and various regulations to eliminate less efficient products from the market. It was noted that the Green Municipal Fund has recently provided over $248 million to support 419 feasibility studies and energy efficiency projects. The federal budget has provided an additional $300 million towards the fund. 22 figs.

  3. Aql X-1 transition towards the soft (banana) state accompanied by radio/NIR detection

    Science.gov (United States)

    Sivakoff, G. R.; Miller-Jones, J.; Fox, O.; Linares, M.; Altamirano, D.; Russell, D.

    2009-11-01

    The currently active neutron star transient and atoll source Aql X-1 (Linares et al., ATEL #2288) has begun the transition from the hard (extreme island) state to the soft (banana) state (Rodriguez et al. ATEL #2299). This transition likely began around 2009 Nov 15 (MJD = 55150). The latest RXTE PCA observation (2009 Nov 17, MJD=55152.17+/-0.02, 2-60 keV fractional rms variability amplitude of ~11% for 0.1-10 Hz) indicates that the source is in the intermediate (island) state.

  4. Cygnus X-3 transition from the ultrasoft to the hard state

    DEFF Research Database (Denmark)

    Beckmann, V.; Soldi, S.; Belanger, G.

    2007-01-01

    Aims. The nature of Cygnus X-3 is still not understood well. This binary system might host a black hole or a neutron star. Recent observations by INTEGRAL have shown that Cygnus X- 3 was again in an extremely ultrasoft state. Here we present our analysis of the transition from the ultrasoft state...

  5. E2 transition probabilities between Nilsson states in odd-A nuclei

    International Nuclear Information System (INIS)

    Krpic, D.K.; Savic, I.M.; Anicin, I.V.

    1976-01-01

    Presented here are the matrices needed for the calculation of E2 transition probabilities between all pairs of Nilsson states with ΔN = 0 and ΔK = 0, 1, 2. The needed coefficients of states are tabulated by Nilsson and by Davidson

  6. Glauber amplitudes for transitions from low lying states in hydrogen atom by charged particle impact

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, S; Srivastava, M K [Roorkee Univ. (India). Dept. of Physics

    1977-07-01

    The Glauber amplitudes for the general transition nlm ..-->.. n'1'm' in charged particle - hydrogen atom collisions have been obtained in the form of a one-dimensional integral. The final expression involves only a few hypergeometric functions if n is not too large and is particularly suited to study excitation to highly excited states from a low lying state.

  7. From War to Politics : Non-State Armed Groups in Transition, 2009 ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    An earlier project (103613) resulted in the creation of a research network on the experience of non-state armed groups (NSAGs) who have made the transition from armed resistance during protracted violent conflicts to political engagement in peace negotiations and post-war state building. This project will continue the ...

  8. Theoretical expression of the internal conversion coefficient of a M1 transition between two atomic states

    International Nuclear Information System (INIS)

    Attallah, F.; Chemin, J.F.; Scheurer, J.N.; Karpeshin, F.; Harston, M.

    1997-01-01

    We have established a general relation for the expression of the internal conversion of an M 1 transition a 1s electronic state to an empty ns electronic bound state. Under the hypothesis that the density of the electron level ρ n satisfies the condition ρ n Γ >> 1 (where Γ is the total width of the excited atomic state) a calculation in the first order gives a relation for the internal conversion coefficient.This relation shows that the internal conversion coefficient takes a resonant character when the nuclear energy transition is smaller than the binding energy of the 1s electron. An application of this relation to an M 1 transition in the case of the ion 125 T e with a charge state Q = 45 and an 1s electron binding energy E B 45 = 35.581 KeV gives the value for the internal conversion coefficient R = 5.7

  9. High-Efficiency Nitride-Based Solid-State Lighting

    Energy Technology Data Exchange (ETDEWEB)

    Paul T. Fini; Shuji Nakamura

    2005-07-30

    In this final technical progress report we summarize research accomplished during Department of Energy contract DE-FC26-01NT41203, entitled ''High-Efficiency Nitride-Based Solid-State Lighting''. Two teams, from the University of California at Santa Barbara (Principle Investigator: Dr. Shuji Nakamura) and the Lighting Research Center at Rensselaer Polytechnic Institute (led by Dr. N. Narendran), pursued the goals of this contract from thin film growth, characterization, and packaging/luminaire design standpoints. The UCSB team initially pursued the development of blue gallium nitride (GaN)-based vertical-cavity surface-emitting lasers, as well as ultraviolet GaN-based light emitting diodes (LEDs). In Year 2, the emphasis shifted to resonant-cavity light emitting diodes, also known as micro-cavity LEDs when extremely thin device cavities are fabricated. These devices have very directional emission and higher light extraction efficiency than conventional LEDs. Via the optimization of thin-film growth and refinement of device processing, we decreased the total cavity thickness to less than 1 {micro}m, such that micro-cavity effects were clearly observed and a light extraction efficiency of over 10% was reached. We also began the development of photonic crystals for increased light extraction, in particular for so-called ''guided modes'' which would otherwise propagate laterally in the device and be re-absorbed. Finally, we pursued the growth of smooth, high-quality nonpolar a-plane and m-plane GaN films, as well as blue light emitting diodes on these novel films. Initial nonpolar LEDs showed the expected behavior of negligible peak wavelength shift with increasing drive current. M-plane LEDs in particular show promise, as unpackaged devices had unsaturated optical output power of {approx} 3 mW at 200 mA drive current. The LRC's tasks were aimed at developing the subcomponents necessary for packaging UCSB's light

  10. Photonic design for efficient solid state energy conversion

    Science.gov (United States)

    Agrawal, Mukul

    The efficiency of conversion between electrical and photonic energy in optoelectronic devices such as light-emitting diodes, photodetectors and solar cells is strongly affected by the photonic modes supported by the device structure. In this thesis, we show how tuning of the local photon density of states in subwavelength structures can be used to optimize device performance. The first part of the thesis is focused on organic light emitting diodes (OLEDs), a candidate technology for next-generation displays and solid-state lighting. An important unsolved problem in OLEDs is to ensure that a significant fraction of photons emitted by the organic emissive layer couple out of the device structure instead of remaining trapped in the device. It is shown using modeling and experiments that optimized non-periodic dielectric multilayer stacks can significantly increase the photon outcoupling while maintaining display quality brightness uniformity over the viewing cone. In the second part, we discuss the theoretical limits to broadband light harvesting in photovoltaic cells. First, it is shown that the extent to which one-dimensional optical cavities can be used to enhance light absorption over a broad spectral range is limited by the requirement that the cavity mirrors have a causal response. This result is used as a guide to design practical dielectric structures that enhance light harvesting in planar thin-film organic solar cells. Finally, we consider the enhancement of optical absorption in two- and three-dimensional structures in which incident light is scattered into quasi-trapped modes for more effective utilization of solar radiation. It is shown that there is an upper bound to the degree to which optical absorption can be enhanced that is identical to the limit found in the geometric optics regime. Rigorous optical simulations are used to show that an optical structure consisting of a two-dimensional array of inverted pyramids comes close to this limit. Before

  11. Does the Future Engineer Force Transition Engineer Units between Offensive and Stability Operations in Ways That Achieve Responsiveness, Versatility, Agility, Effectiveness, and Efficiency?

    National Research Council Canada - National Science Library

    London, David T

    2005-01-01

    .... The main question is as follows: Does the FEF transition engineer units between offensive and stability operations in ways that achieve responsiveness, versatility, agility, effectiveness, and efficiency...

  12. State transitions in the 2001/2002 outburst of XTE J1650-500

    International Nuclear Information System (INIS)

    Rossi, S.; Homan, J.; Miller, J.M.; Belloni, T.

    2004-01-01

    We present a study of the X-ray transient and black hole candidate XTE J1650-500 during its 2001/2002 outburst. The source made two state transitions between the hard and soft states, at luminosity levels that differ by a factor of ∼5-10. The first transition, between hard and soft, lasted for ∼30 days and showed two parts; one part in which the spectral properties evolve smoothly away from the hard state and another that we identify as the 'steep power law state'. The two parts showed different behavior of the Fe K emission line and QPO frequencies. The second transition, from soft to hard, lasted only ∼15 days and showed no evidence of the presence of the 'steep power law state'. Comparing observations from the early rise and the decay of the outburst, we conclude that the source can be in the hard state in a range of more than 10 4 in luminosity. We briefly discuss the state transitions in the framework of a two-flow model

  13. Economic efficiency among small scale poultry farmers in Imo State ...

    African Journals Online (AJOL)

    ... household size and extension, were found to be the significant factors that account for the observed variation in efficiency among the small scale poultry farmers. Keywords: economic efficiency, small scale poultry farmers, stochastic frontier production model. International Journal of Agriculture and Rural Development Vol.

  14. Structural transition, subgap states, and carrier transport in anion-engineered zinc oxynitride nanocrystalline films

    International Nuclear Information System (INIS)

    Xian, Fenglin; Ye, Jiandong; Gu, Shulin; Tan, Hark Hoe; Jagadish, Chennupati

    2016-01-01

    In this work, anion alloying is engineered in ZnON nanocrystalline films, and the resultant evolution of the structural transition, subgap states, and carrier transport is investigated. A broad distribution of sub-gap states above the valence band maximum is introduced by nitrogen due to the hybridization of N 2p and O 2p orbitals. The phase transition from partially amorphous states to full crystallinity occurs above a characteristic growth temperature of 100 °C, and the localized states are suppressed greatly due to the reduction of nitrogen composition. The electronic properties are dominated by grain boundary scattering and electron transport across boundary barriers through thermal activation at band edge states at high temperatures. The conductivity below 130 K exhibits a weak temperature dependence, which is a signature of variable-range hopping conduction between localized states introduced by nitrogen incorporation.

  15. Influence of the particle size of activated charcoal on labeling efficiency with 67Ga-citrate for colonic transit study

    International Nuclear Information System (INIS)

    Wan-Yu Lin; Shih-Chuan Tsai; Kai-Yuan Cheng; Bor-Tsung Hsieh

    2008-01-01

    Indium-111 and 99m Tc have been proposed for colonic transit study, but 111 In is expensive and the half-life of 99m Tc is too short for the study. Gallium-67 citrate is inexpensive and has a suitable half-life. In our previous study, we successfully labeled 67 Ga-citrate activated charcoal, and the labeling efficiency exceeded 91% after a 96 hour incubation period. In this work, we evaluated the influence of the size of activated charcoal particles on the labeling efficiency with 67 Ga-citrate. The data showed that the influence of particle size on the labeling efficiency of activated charcoal with 67 Ga was insignificant. Both sizes of activated charcoal particles can be used for labeling with 67 Ga in colonic transit study. (author)

  16. Walk, Bicycle, and Transit Trips of Transit-Dependent and Choice Riders in the 2009 United States National Household Travel Survey.

    Science.gov (United States)

    Lachapelle, Ugo

    2015-08-01

    Previous research has shown that public transit use may be associated with active transportation. Access to a car may influence active transportation of transit riders. Using the 2009 United States National Household Travel Survey (NHTS), transit users ≥ 16 years old (n = 25,550) were categorized according to driver status and number of cars and drivers in the household. This typology ranged from choice transit riders (ie, "fully motorized drivers") to transit-dependent riders (ie, "unmotorized nondriver"). Transit trips, walking trips, and bicycling trips of transit users are estimated in negative binomial models against the car availability typology. Sixteen percent of participants took transit in the past month; most (86%) lived in car-owning households. As income increased, car availability also increased. Transit user groups with lower car availability were generally more likely than fully motorized drivers to take more public transit, walking, and bicycle trips. Transit riders have varying levels of vehicle access; their use of combinations of alternative modes of transportation fluctuates accordingly. Transit-dependent individuals without cars or sharing cars used active transportation more frequently than car owners. Policies to reduce vehicle ownership in households may enable increases in the use of alternative modes of transportation for transit users, even when cars are still owned.

  17. State safety oversight program : audit of the tri-state oversight committee and the Washington metropolitan area transit authority, final audit report, March 4, 2010.

    Science.gov (United States)

    2010-03-04

    The Federal Transit Administration (FTA) conducted an on-site audit of the safety program implemented by the Washington Metropolitan Area Transit Authority (WMATA) and overseen by the Tri-State Oversight Committee (TOC) between December 14 and 17, 20...

  18. An automated method to find transition states using chemical dynamics simulations.

    Science.gov (United States)

    Martínez-Núñez, Emilio

    2015-02-05

    A procedure to automatically find the transition states (TSs) of a molecular system (MS) is proposed. It has two components: high-energy chemical dynamics simulations (CDS), and an algorithm that analyzes the geometries along the trajectories to find reactive pathways. Two levels of electronic structure calculations are involved: a low level (LL) is used to integrate the trajectories and also to optimize the TSs, and a higher level (HL) is used to reoptimize the structures. The method has been tested in three MSs: formaldehyde, formic acid (FA), and vinyl cyanide (VC), using MOPAC2012 and Gaussian09 to run the LL and HL calculations, respectively. Both the efficacy and efficiency of the method are very good, with around 15 TS structures optimized every 10 trajectories, which gives a total of 7, 12, and 83 TSs for formaldehyde, FA, and VC, respectively. The use of CDS makes it a powerful tool to unveil possible nonstatistical behavior of the system under study. © 2014 Wiley Periodicals, Inc.

  19. Wigner's dynamical transition state theory in phase space: classical and quantum

    International Nuclear Information System (INIS)

    Waalkens, Holger; Schubert, Roman; Wiggins, Stephen

    2008-01-01

    We develop Wigner's approach to a dynamical transition state theory in phase space in both the classical and quantum mechanical settings. The key to our development is the construction of a normal form for describing the dynamics in the neighbourhood of a specific type of saddle point that governs the evolution from reactants to products in high dimensional systems. In the classical case this is the standard Poincaré–Birkhoff normal form. In the quantum case we develop a normal form based on the Weyl calculus and an explicit algorithm for computing this quantum normal form. The classical normal form allows us to discover and compute the phase space structures that govern classical reaction dynamics. From this knowledge we are able to provide a direct construction of an energy dependent dividing surface in phase space having the properties that trajectories do not locally 're-cross' the surface and the directional flux across the surface is minimal. Using this, we are able to give a formula for the directional flux through the dividing surface that goes beyond the harmonic approximation. We relate this construction to the flux–flux autocorrelation function which is a standard ingredient in the expression for the reaction rate in the chemistry community. We also give a classical mechanical interpretation of the activated complex as a normally hyperbolic invariant manifold (NHIM), and further describe the structure of the NHIM. The quantum normal form provides us with an efficient algorithm to compute quantum reaction rates and we relate this algorithm to the quantum version of the flux–flux autocorrelation function formalism. The significance of the classical phase space structures for the quantum mechanics of reactions is elucidated by studying the phase space distribution of scattering states. The quantum normal form also provides an efficient way of computing Gamov–Siegert resonances. We relate these resonances to the lifetimes of the quantum activated

  20. Kepler Planet Detection Metrics: Pixel-Level Transit Injection Tests of Pipeline Detection Efficiency for Data Release 25

    Science.gov (United States)

    Christiansen, Jessie L.

    2017-01-01

    This document describes the results of the fourth pixel-level transit injection experiment, which was designed to measure the detection efficiency of both the Kepler pipeline (Jenkins 2002, 2010; Jenkins et al. 2017) and the Robovetter (Coughlin 2017). Previous transit injection experiments are described in Christiansen et al. (2013, 2015a,b, 2016).In order to calculate planet occurrence rates using a given Kepler planet catalogue, produced with a given version of the Kepler pipeline, we need to know the detection efficiency of that pipeline. This can be empirically determined by injecting a suite of simulated transit signals into the Kepler data, processing the data through the pipeline, and examining the distribution of successfully recovered transits. This document describes the results for the pixel-level transit injection experiment performed to accompany the final Q1-Q17 Data Release 25 (DR25) catalogue (Thompson et al. 2017)of the Kepler Objects of Interest. The catalogue was generated using the SOC pipeline version 9.3 and the DR25 Robovetter acting on the uniformly processed Q1-Q17 DR25 light curves (Thompson et al. 2016a) and assuming the Q1-Q17 DR25 Kepler stellar properties (Mathur et al. 2017).

  1. Matrix elements of intraband transitions in quantum dot intermediate band solar cells: the influence of quantum dot presence on the extended-state electron wave-functions

    International Nuclear Information System (INIS)

    Nozawa, Tomohiro; Arakawa, Yasuhiko

    2014-01-01

    The intraband transitions which are essential for quantum dot intermediate band solar cells (QD IBSCs) are theoretically investigated by estimating the matrix elements from a ground bound state, which is often regarded as an intermediate band (IB), to conduction band (CB) states for a structure with a quantum dot (QD) embedded in a matrix (a QD/matrix structure). We have found that the QD pushes away the electron envelope functions (probability densities) from the QD region in almost all quantum states above the matrix CB minimum. As a result, the matrix elements of the intraband transitions in the QD/matrix structure are largely reduced, compared to those calculated assuming the envelope functions of free electrons (i.e., plane-wave envelope functions) in a matrix structure as the final states of the intraband transitions. The result indicates the strong influence of the QD itself on the intraband transitions from the IB to the CB states in QD IBSC devices. This work will help in better understanding the problem of the intraband transitions and give new insight, that is, engineering of quantum states is indispensable for the realization of QD IBSCs with high solar energy conversion efficiencies. (paper)

  2. Phase Transitions in Definite Total Spin States of Two-Component Fermi Gases.

    Science.gov (United States)

    Yurovsky, Vladimir A

    2017-05-19

    Second-order phase transitions have no latent heat and are characterized by a change in symmetry. In addition to the conventional symmetric and antisymmetric states under permutations of bosons and fermions, mathematical group-representation theory allows for non-Abelian permutation symmetry. Such symmetry can be hidden in states with defined total spins of spinor gases, which can be formed in optical cavities. The present work shows that the symmetry reveals itself in spin-independent or coordinate-independent properties of these gases, namely as non-Abelian entropy in thermodynamic properties. In weakly interacting Fermi gases, two phases appear associated with fermionic and non-Abelian symmetry under permutations of particle states, respectively. The second-order transitions between the phases are characterized by discontinuities in specific heat. Unlike other phase transitions, the present ones are not caused by interactions and can appear even in ideal gases. Similar effects in Bose gases and strong interactions are discussed.

  3. The first observation of EO transitions from negative parity states in even-even nucleus 160Dy

    International Nuclear Information System (INIS)

    Grigoriev, E.P.

    1988-01-01

    In even-even deformed nuclei up to now EO-transitions were found only between the states of the same spin belonging to Κ π = O + rotational bands. There is no forbidenness for EO-transitions between states belonging to bands with any other quantum number Κ provided both initial and final states have the same J π Κ values. EO-transitions may depopulate odd-parity states. In odd nuclei β-vibrational states are identified by transition with EO-components. Here transitions also proceed between states with the same J π K numbers. Even-even nuclide 160 Dy is the first nucleus where the EO-transitions between odd-parity states have been found

  4. Analysis of railroad energy efficiency in the United States.

    Science.gov (United States)

    2013-05-01

    The purpose of this study is to provide information about railroad fuel efficiency that may be useful in evaluating transportation energy policies and assessing the sustainability of potential projects. The specific objectives are to (1) develop rail...

  5. Transitions between states of labor-force participation among older Israelis

    OpenAIRE

    Achdut, Leah; Tur-Sinai, Aviad; Troitsky, Rita

    2014-01-01

    The study examines the labor-force behavior of Israelis at older ages, focusing on the determinants of the transitions between states of labor-force participation between 2005 and 2010. The study uses panel data from the first two waves of the SHARE-Israel longitudinal survey. A multinomial logit model is used to examine the impact of sociodemographic characteristics, health state, and economic resources on labor-force transitions of people aged 50–67. The results emphasize the role of age an...

  6. Optical nonlinearities of excitonic states in atomically thin 2D transition metal dichalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Soh, Daniel Beom Soo [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Proliferation Signatures Discovery and Exploitation Department

    2017-08-01

    We calculated the optical nonlinearities of the atomically thin monolayer transition metal dichalcogenide material (particularly MoS2), particularly for those linear and nonlinear transition processes that utilize the bound exciton states. We adopted the bound and the unbound exciton states as the basis for the Hilbert space, and derived all the dynamical density matrices that provides the induced current density, from which the nonlinear susceptibilities can be drawn order-by-order via perturbative calculations. We provide the nonlinear susceptibilities for the linear, the second-harmonic, the third-harmonic, and the kerr-type two-photon processes.

  7. Kinetic Analysis for Macrocyclizations Involving Anionic Template at the Transition State

    Directory of Open Access Journals (Sweden)

    Vicente Martí-Centelles

    2012-01-01

    competitive oligomerization/polymerization processes yielding undesired oligomeric/polymeric byproducts. The effect of anions has also been included in the kinetic models, as they can act as catalytic templates in the transition state reducing and stabilizing the transition state. The corresponding differential equation systems for each kinetic model can be solved numerically. Through a comprehensive analysis of these results, it is possible to obtain a better understanding of the different parameters that are involved in the macrocyclization reaction mechanism and to develop strategies for the optimization of the desired processes.

  8. Lifetime measurements and dipole transition rates for superdeformed states in {sup 190}Hg.

    Energy Technology Data Exchange (ETDEWEB)

    Amro, H.

    1999-03-24

    The Doppler-shift attenuation method was used to measure life-times of superdeformed (SD) states for both the yrast and the first excited superdeformed band of {sup 190}Hg. Intrinsic quadruple moments Q{sub 0} were extracted. For the first time, the dipole transition rates have been extracted for the inter-band transitions which connect the excited SD band to the yrast states in the second minimum. The results support the interpretation of the excited SD band as a rotational band built on an octupole vibration.

  9. Lifetime measurements and dipole transition rates for superdeformed states in 190Hg

    International Nuclear Information System (INIS)

    Amro, H.

    1999-01-01

    The Doppler-shift attenuation method was used to measure life-times of superdeformed (SD) states for both the yrast and the first excited superdeformed band of 190 Hg. Intrinsic quadruple moments Q 0 were extracted. For the first time, the dipole transition rates have been extracted for the inter-band transitions which connect the excited SD band to the yrast states in the second minimum. The results support the interpretation of the excited SD band as a rotational band built on an octupole vibration

  10. Identification of predictive biomarkers of disease state in transition dairy cows.

    Science.gov (United States)

    Hailemariam, D; Mandal, R; Saleem, F; Dunn, S M; Wishart, D S; Ametaj, B N

    2014-05-01

    In dairy cows, periparturient disease states, such as metritis, mastitis, and laminitis, are leading to increasingly significant economic losses for the dairy industry. Treatments for these pathologies are often expensive, ineffective, or not cost-efficient, leading to production losses, high veterinary bills, or early culling of the cows. Early diagnosis or detection of these conditions before they manifest themselves could lower their incidence, level of morbidity, and the associated economic losses. In an effort to identify predictive biomarkers for postpartum or periparturient disease states in dairy cows, we undertook a cross-sectional and longitudinal metabolomics study to look at plasma metabolite levels of dairy cows during the transition period, before and after becoming ill with postpartum diseases. Specifically we employed a targeted quantitative metabolomics approach that uses direct flow injection mass spectrometry to track the metabolite changes in 120 different plasma metabolites. Blood plasma samples were collected from 12 dairy cows at 4 time points during the transition period (-4 and -1 wk before and 1 and 4 wk after parturition). Out of the 12 cows studied, 6 developed multiple periparturient disorders in the postcalving period, whereas the other 6 remained healthy during the entire experimental period. Multivariate data analysis (principal component analysis and partial least squares discriminant analysis) revealed a clear separation between healthy controls and diseased cows at all 4 time points. This analysis allowed us to identify several metabolites most responsible for separating the 2 groups, especially before parturition and the start of any postpartum disease. Three metabolites, carnitine, propionyl carnitine, and lysophosphatidylcholine acyl C14:0, were significantly elevated in diseased cows as compared with healthy controls as early as 4 wk before parturition, whereas 2 metabolites, phosphatidylcholine acyl-alkyl C42:4 and

  11. State-Transition-Aware Spilling Heuristic for MLC STT-RAM-Based Registers

    Directory of Open Access Journals (Sweden)

    Yuanhui Ni

    2017-01-01

    Full Text Available Multilevel Cell Spin-Transfer Torque Random Access Memory (MLC STT-RAM is a promising nonvolatile memory technology to build registers for its natural immunity to electromagnetic radiation in rad-hard space environment. Unlike traditional SRAM-based registers, MLC STT-RAM exhibits unbalanced write state transitions due to the fact that the magnetization directions of hard and soft domains cannot be flipped independently. This feature leads to nonuniform costs of write states in terms of latency and energy. However, current SRAM-targeting register allocations do not have a clear understanding of the impact of the different write state-transition costs. As a result, those approaches heuristically select variables to be spilled without considering the spilling priority imposed by MLC STT-RAM. Aiming to address this limitation, this paper proposes a state-transition-aware spilling cost minimization (SSCM policy, to save power when MLC STT-RAM is employed in register design. Specifically, the spilling cost model is first constructed according to the linear combination of different state-transition frequencies. Directed by the proposed cost model, the compiler picks up spilling candidates to achieve lower power and higher performance. Experimental results show that the proposed SSCM technique can save energy by 19.4% and improve the lifetime by 23.2% of MLC STT-RAM-based register design.

  12. Columbus State University Global Observation and Outreach for the 2012 Transit of Venus

    Science.gov (United States)

    Perry, Matthew; McCarty, C.; Bartow, M.; Hood, J. C.; Lodder, K.; Johnson, M.; Cruzen, S. T.; Williams, R. N.

    2013-01-01

    Faculty, staff and students from Columbus State University’s (CSU’s) Coca-Cola Space Science Center presented a webcast of the 2012 Transit of Venus from three continents to a global audience of 1.4 million unique viewers. Team members imaged the transit with telescopes using white-light, hydrogen-alpha, and calcium filters, from Alice Springs, Australia; the Gobi Desert, Mongolia; Bryce Canyon, UT; and Columbus, GA. Images were webcast live during the transit in partnership with NASA’s Sun-Earth Day program, and Science Center staff members were featured on NASA TV. Local members of the public were brought in for a series of outreach initiatives, in both Georgia and Australia, before and during the transit. The data recorded from the various locations have been archived for use in demonstrating principles such as the historical measurement of the astronomical unit.

  13. Specification, construction, and exact reduction of state transition system models of biochemical processes.

    Science.gov (United States)

    Bugenhagen, Scott M; Beard, Daniel A

    2012-10-21

    Biochemical reaction systems may be viewed as discrete event processes characterized by a number of states and state transitions. These systems may be modeled as state transition systems with transitions representing individual reaction events. Since they often involve a large number of interactions, it can be difficult to construct such a model for a system, and since the resulting state-level model can involve a huge number of states, model analysis can be difficult or impossible. Here, we describe methods for the high-level specification of a system using hypergraphs, for the automated generation of a state-level model from a high-level model, and for the exact reduction of a state-level model using information from the high-level model. Exact reduction is achieved through the automated application to the high-level model of the symmetry reduction technique and reduction by decomposition by independent subsystems, allowing potentially significant reductions without the need to generate a full model. The application of the method to biochemical reaction systems is illustrated by models describing a hypothetical ion-channel at several levels of complexity. The method allows for the reduction of the otherwise intractable example models to a manageable size.

  14. Romania - New E.U. Member State, A New Phase of Its Transition

    Directory of Open Access Journals (Sweden)

    Marius PROFIROIU

    2011-06-01

    Full Text Available Ever since Romania started its transition in the 1990s, it consistently scored poorly in various comparative performance assessments aimed at rating developing countries. In this paper we analyze whether Romania has managed to overcome the transition period or not, by pointing out both the drawbacks as well as the progress that has been made over the transition period, but most of all since our accession to the European Union in 2007. We discuss the concept of good governance for a new EU member state, by focusing on the state of public governance in Romania, but also addressing the other two important actors in the society, the private sector and the civil society.

  15. Transition state theory approach to polymer escape from a one dimensional potential well.

    Science.gov (United States)

    Mökkönen, Harri; Ikonen, Timo; Ala-Nissila, Tapio; Jónsson, Hannes

    2015-06-14

    The rate of escape of an ideal bead-spring polymer in a symmetric double-well potential is calculated using transition state theory (TST) and the results compared with direct dynamical simulations. The minimum energy path of the transitions becomes flat and the dynamics diffusive for long polymers making the Kramers-Langer estimate poor. However, TST with dynamical corrections based on short time trajectories started at the transition state gives rate constant estimates that agree within a factor of two with the molecular dynamics simulations over a wide range of bead coupling constants and polymer lengths. The computational effort required by the TST approach does not depend on the escape rate and is much smaller than that required by molecular dynamics simulations.

  16. Experiences of Nigerian Internationally Educated Nurses Transitioning to United States Health Care Settings.

    Science.gov (United States)

    Iheduru-Anderson, Kechinyere C; Wahi, Monika M

    2018-04-01

    Successful transition to practice of internationally educated nurses (IENs) can critically affect quality of care. The aim of this study was to characterize the facilitators and barriers to transition of Nigerian IENs (NIENs) to the United States health care setting. Using a descriptive phenomenology approach, 6 NIENs were interviewed about their transitional experiences in the United States. Thematic methods were used for data analysis. The three major themes identified from the participants' stories were "fear/anger and disappointment" (FAD), "road/journey to success/overcoming challenges" (RJO), and "moving forward" (MF). The FAD theme predominated, including experiences of racism, bullying, and inequality. The RJO theme included resilience, and the MF theme encompassed personal growth. NIENs face personal and organizational barriers to adaptation, especially fear, anger and disappointment. Future research should seek to develop a model for optimal adaptation that focuses on improving both personal and organizational facilitators and decreasing barriers.

  17. Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Yuqi; Wang, Jinan; Shao, Qiang, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn; Zhu, Weiliang, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn [ACS Key Laboratory of Receptor Research, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203 (China); Shi, Jiye, E-mail: qshao@mail.shcnc.ac.cn, E-mail: Jiye.Shi@ucb.com, E-mail: wlzhu@mail.shcnc.ac.cn [UCB Pharma, 216 Bath Road, Slough SL1 4EN (United Kingdom)

    2015-03-28

    The application of temperature replica exchange molecular dynamics (REMD) simulation on protein motion is limited by its huge requirement of computational resource, particularly when explicit solvent model is implemented. In the previous study, we developed a velocity-scaling optimized hybrid explicit/implicit solvent REMD method with the hope to reduce the temperature (replica) number on the premise of maintaining high sampling efficiency. In this study, we utilized this method to characterize and energetically identify the conformational transition pathway of a protein model, the N-terminal domain of calmodulin. In comparison to the standard explicit solvent REMD simulation, the hybrid REMD is much less computationally expensive but, meanwhile, gives accurate evaluation of the structural and thermodynamic properties of the conformational transition which are in well agreement with the standard REMD simulation. Therefore, the hybrid REMD could highly increase the computational efficiency and thus expand the application of REMD simulation to larger-size protein systems.

  18. State-and-transition simulation models: a framework for forecasting landscape change

    Science.gov (United States)

    Daniel, Colin; Frid, Leonardo; Sleeter, Benjamin M.; Fortin, Marie-Josée

    2016-01-01

    SummaryA wide range of spatially explicit simulation models have been developed to forecast landscape dynamics, including models for projecting changes in both vegetation and land use. While these models have generally been developed as separate applications, each with a separate purpose and audience, they share many common features.We present a general framework, called a state-and-transition simulation model (STSM), which captures a number of these common features, accompanied by a software product, called ST-Sim, to build and run such models. The STSM method divides a landscape into a set of discrete spatial units and simulates the discrete state of each cell forward as a discrete-time-inhomogeneous stochastic process. The method differs from a spatially interacting Markov chain in several important ways, including the ability to add discrete counters such as age and time-since-transition as state variables, to specify one-step transition rates as either probabilities or target areas, and to represent multiple types of transitions between pairs of states.We demonstrate the STSM method using a model of land-use/land-cover (LULC) change for the state of Hawai'i, USA. Processes represented in this example include expansion/contraction of agricultural lands, urbanization, wildfire, shrub encroachment into grassland and harvest of tree plantations; the model also projects shifts in moisture zones due to climate change. Key model output includes projections of the future spatial and temporal distribution of LULC classes and moisture zones across the landscape over the next 50 years.State-and-transition simulation models can be applied to a wide range of landscapes, including questions of both land-use change and vegetation dynamics. Because the method is inherently stochastic, it is well suited for characterizing uncertainty in model projections. When combined with the ST-Sim software, STSMs offer a simple yet powerful means for developing a wide range of models of

  19. Structure of states and reduced probabilities of electromagnetic transitions in 169Yb

    International Nuclear Information System (INIS)

    Bonch-Osmolovskaya, N.A.; Morozov, V.A.; Khudajberdyev, Eh.N.

    1988-01-01

    The effect of accounting the Pauli principle on the structure and energy of nonrotational states of 169 Yb deformed nucleus as well as on reduced probabilities of E2-transitions B(E2) is studied within the framework of the quasiparticle-phonon model (QPM). The amplitudes of states mixing due to Coriolis interaction and reduced probabilities of gamma transition within the framework of nonadiabatic rotation model are also calculated. The results are compared with calculations made within QPM with account of Coriolis interaction but excluding the Pauli principle in the wave state function. It is shown that to describe correctly both the level structure and reduced probabilities B(E2) it is necessary to include all types of interaction : quasiparticle interaction with phonons with account of the Pauli principle in the wave state functions and Coriolis interactions. Now no uniform theoretical approach exists

  20. Critical behaviour of continuous phase transitions with infinitely many absorbing states

    International Nuclear Information System (INIS)

    Hua Dayin; Wang Lieyan; Chen Ting

    2006-01-01

    A lattice gas model is proposed for the A 2 + 2B 2 → 2B 2 A reaction system with particle diffusion. In the model, A 2 dissociates in the random dimer-filling mechanism and B 2 dissociation is in the end-on dimer-filling mechanism. A reactive window appears and the system exhibits a continuous phase transition from a reactive state to a covered state with infinitely many absorbing states. When the diffusion of particle A and AB is included, there are still infinitely many absorbing states for the continuous phase transition, but it is found that the critical behaviour changes from the directed percolation (DP) class to the pair contact process with diffusion (PCPD) class

  1. M1 transitions between low-lying states in the sdg-IBM-2

    Science.gov (United States)

    Casperson, Robert; Werner, Volker

    2006-10-01

    The interplay between collective and single-particle degrees of freedom for nuclei in the A=90 region have recently been under investigation. In Molybdenum and Ruthenium nuclei, collective symmetric and mixed-symmetric structures have been identified, while in Zirconium, underlying shell-structure plays an enhanced role. Collective symmetric structures appear when protons and neutrons are in phase, whereas mixed-symmetric structures occur when they are not. The one-phonon 2^+ mixed-symmetric state was identified from strong M1 transitions to the 2^+1 state. Similar transitions were observed between higher-spin states, and are predicted by the shell model. These phenomena will be investigated within the sdg Interacting Boson Model 2 in order to obtain a better understanding about the structure of the states involved, and results from first model calculations will be presented. Work supported by US DOE under grant number DE-FG02-91ER-40609.

  2. Use of M and L transitions of heavy elements for the determination of a Si(Li) detector's efficiency

    International Nuclear Information System (INIS)

    Morales, J.R.; Romo, C.; Dinator, M.I.; Llona, F.; Tabacniks, M.

    1987-01-01

    The verification of the Si(Li) cryogenic detector's efficiency may be fastly carried out using the M radiations of the heavy elements, such as Pb and Au. Thin targets have been bombarded with protons of 2.0 and 6.6 MeV, thus resulting the transitions M and L. The number of emitted photons are possible to be inferred using tabulated cross sections from different authors. The comparison with the number of photons registered allows to determine the efficiency. (S.M.) [es

  3. Rural and urban transit district benchmarking : effectiveness and efficiency guidance document.

    Science.gov (United States)

    2011-05-01

    Rural and urban transit systems have sought ways to compare performance across agencies, : identifying successful service delivery strategies and applying these concepts to achieve : successful results within their agency. Benchmarking is a method us...

  4. REVENUE FARMING AND IMPERIAL TRANSITION: AN ECONOMIC DIMENSION OF EARLY COLONIAL STATE FORMATION IN JAVA, C. 1800s-1820s

    Directory of Open Access Journals (Sweden)

    Abdul Wahid

    2012-11-01

    Full Text Available Revenue farming (pacht or verpachtingen in Dutch is a fiscal institution that existed in Java since the pre-colonial period. During the VOC period, the Dutch modified, institutionalized and &extended it as one of their fiscal institutions to solve human resource shortage and administrative barriers in collecting taxes from local population. For political and economic reasons the Dutch favored the Chinese as main partners in operating the system. The system was proven efficient to an extent that it collected substantial revenue contribution to the state exchequer. During the period of 'imperial'  transition from 1800s until 1820s, changing regimes in Java retained the system to finance their political agenda. This paper argues that revenue-farming system was the financial source for the Dutch in establishing a real colonial state in Java.

  5. Comparison of 3D Classical Trajectory and Transition-State Theory Reaction Cross Sections

    Science.gov (United States)

    Koeppl, G. W.; Karplus, Martin

    1970-10-01

    Although there is excellent agreement for a system such as H+H{sub 2} --> H{sub 2}+H, in which both the potential and the particle masses are symmetric, significant deviations occur for more asymmetric reactions. A detailed analysis show that the calculated differences are from the violation of two assumptions of transition-state theory.

  6. Transition State Gauche Effects Control the Torquoselectivities of the Electrocyclizations of Chiral 1-Azatrienes.

    Science.gov (United States)

    Patel, Ashay; Vella, Joseph R; Ma, Zhi-Xiong; Hsung, R P; Houk, K N

    2015-12-04

    Hsung et al. have reported a series of torquoselective electrocyclizations of chiral 1-azahexa-1E,3Z,5E-trienes that yield functionalized dihydropyridines. To understand the origins of the torquoselectivities of these azaelectrocyclizations, we modeled these electrocyclic ring closures using the M06-2X density functional. A new stereochemical model that rationalizes the observed 1,2 stereoinduction emerges from these computations. This model is an improvement and generalization of the "inside-alkoxy" model used to rationalize stereoselectivities of the 1,3-dipolar cycloaddition of chiral allyl ethers and emphasizes a stabilizing hyperconjugative effect, which we have termed a transition state gauche effect. This stereoelectronic effect controls the conformational preferences at the electrocyclization transition states, and only in one of the allowed disrotatory electrocyclization transition states is the ideal stereoelectronic arrangement achieved without the introduction of a steric clash. Computational experiments confirm the role of this effect as a stereodeterminant since substrates with electropositive groups and electronegative groups have different conformational preferences at the transition state and undergo ring closure with divergent stereochemical outcomes. This predicted reversal of stereoselectivity for the ring closures of several silyl substituted azatrienes have been demonstrated experimentally.

  7. Educational Transitions in the United States: Reflections on the American Dream

    Science.gov (United States)

    Crawford, Paul T.

    2012-01-01

    Education involves socialization so that individuals become productive members of society. At present, in the United States, educational transitions are primarily viewed in terms of their location in an outcomes-oriented process and framed as helping people achieve the American Dream, but in terms of the status quo national economic interest. But…

  8. Wigner's dynamical transition state theory in phase space : classical and quantum

    NARCIS (Netherlands)

    Waalkens, Holger; Schubert, Roman; Wiggins, Stephen

    We develop Wigner's approach to a dynamical transition state theory in phase space in both the classical and quantum mechanical settings. The key to our development is the construction of a normal form for describing the dynamics in the neighbourhood of a specific type of saddle point that governs

  9. Approaches to incorporating climate change effects in state and transition simulation models of vegetation

    Science.gov (United States)

    Becky K. Kerns; Miles A. Hemstrom; David Conklin; Gabriel I. Yospin; Bart Johnson; Dominique Bachelet; Scott Bridgham

    2012-01-01

    Understanding landscape vegetation dynamics often involves the use of scientifically-based modeling tools that are capable of testing alternative management scenarios given complex ecological, management, and social conditions. State-and-transition simulation model (STSM) frameworks and software such as PATH and VDDT are commonly used tools that simulate how landscapes...

  10. State-and-transition model archetypes: a global taxonomy of rangeland change

    Science.gov (United States)

    State and transition models (STMs) synthesize science-based and local knowledge to formally represent the dynamics of rangeland and other ecosystems. Mental models or concepts of ecosystem dynamics implicitly underlie all management decisions in rangelands and thus how people influence rangeland sus...

  11. Forecasting timber, biomass, and tree carbon pools with the output of state and transition models

    Science.gov (United States)

    Xiaoping Zhou; Miles A. Hemstrom

    2012-01-01

    The Integrated Landscape Assessment Project (ILAP) uses spatial vegetation data and state and transition models (STM) to forecast future vegetation conditions and the interacting effects of natural disturbances and management activities. Results from ILAP will help land managers, planners, and policymakers evaluate management strategies that reduce fire risk, improve...

  12. The Multi-state Latent Factor Intensity Model for Credit Rating Transitions

    NARCIS (Netherlands)

    Koopman, S.J.; Lucas, A.; Monteiro, A.

    2008-01-01

    A new empirical reduced-form model for credit rating transitions is introduced. It is a parametric intensity-based duration model with multiple states and driven by exogenous covariates and latent dynamic factors. The model has a generalized semi-Markov structure designed to accommodate many of the

  13. Theory of pure rotational transitions in doubly degenerate torsional states of ethane

    Science.gov (United States)

    Rosenberg, A.; Susskind, J.

    1979-01-01

    It is shown that pure rotational transitions in doubly degenerate torsional states of C2H6 (with selection rules Delta K = 0, plus or minus 1) are made allowed by Coriolis interaction between torsion and dipole-allowed vibrations. Expressions are presented for integrated intensities from which strengths of lines in the millimeter region can be calculated.

  14. The transition between undiluted and oligomer-diluted states of nearly monodisperse polystyrenes in extensional flow

    DEFF Research Database (Denmark)

    Huang, Qian; Rasmussen, Henrik K.

    2017-01-01

    , proposed by Rasmussen and Huang (Rheol Acta 53(3):199–208 (2014a)), predicts the extensional viscosity well for the dilutions with lower concentrations. However, for the 70 and 90% 545 kg/mole samples which represent the transition between the diluted and undiluted states, the model predictions are less...

  15. Molecular dynamics simulations from putative transition states of alpha-spectrin SH3 domain

    NARCIS (Netherlands)

    Periole, Xavier; Vendruscolo, Michele; Mark, Alan E.

    2007-01-01

    A series of molecular dynamics simulations in explicit solvent were started from nine structural models of the transition state of the SH3 domain of alpha-spectrin, which were generated by Lindorff Larsen et al. (Nat Struct Mol Biol 2004;11:443-449) using molecular dynamics simulations in which

  16. 76 FR 42688 - Updating State Residential Building Energy Efficiency Codes

    Science.gov (United States)

    2011-07-19

    ... the American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) considers high... determination could potentially impact States. The American Chemistry Council (ACC) submitted a written comment...-Conditioning Engineers. [[Page 42692

  17. Transition by breaking of analyticity in the ground state of Josephson junction arrays as a static signature of the vortex jamming transition

    KAUST Repository

    Nogawa, Tomoaki; Yoshino, Hajime; Kim, Bongsoo

    2012-01-01

    -dimensional periodicity whose reciprocal lattice vector depends on λ and is incommensurate with the substrate lattice. Approaching the isotropic point λ=1, the so-called hull function of the ground state exhibits analyticity breaking similar to the Aubry transition

  18. The coherent state variational algorithm and the QCD deconfinement phase transition

    International Nuclear Information System (INIS)

    Somsky, W.R.

    1989-01-01

    This thesis describes the coherent state variational algorithm, its implementation in a recently completed set of computer programs, and its application to the study of the QCD deconfinement phase transition. The coherent state variational algorithm is a computational method for studying the large-N limit of non-abelian gauge theories by direct exploitation of the classical nature of this limit. Unlike Monte Carlo methods, this technique is applicable to both euclidean and hamiltonian formulations of lattice gauge theories and is deterministic, rather than statistical, in nature. The first part of this thesis presents the theoretical basis of the coherent state algorithm and describes the application of the algorithm, to non-abelian lattice gauge theories. The second part describes the symbolic methods involved in the computer implementation of the coherent state algorithm and gives an overview of the programs which form the full coherent state implementation. The final part of this thesis discusses the application of the coherent state algorithm to the study of the QCD deconfinement phase transition at large N. The results obtained are indicative of a second-order transition for lattices of temporal extent N ν = 1 and N τ = 2 in both three and four space-time dimensions

  19. Electromagnetic fields mediate efficient cell reprogramming into a pluripotent state.

    Science.gov (United States)

    Baek, Soonbong; Quan, Xiaoyuan; Kim, Soochan; Lengner, Christopher; Park, Jung-Keug; Kim, Jongpil

    2014-10-28

    Life on Earth is constantly exposed to natural electromagnetic fields (EMFs), and it is generally accepted that EMFs may exert a variety of effects on biological systems. Particularly, extremely low-frequency electromagnetic fields (EL-EMFs) affect biological processes such as cell development and differentiation; however, the fundamental mechanisms by which EMFs influence these processes remain unclear. Here we show that EMF exposure induces epigenetic changes that promote efficient somatic cell reprogramming to pluripotency. These epigenetic changes resulted from EMF-induced activation of the histone lysine methyltransferase Mll2. Remarkably, an EMF-free system that eliminates Earth's naturally occurring magnetic field abrogates these epigenetic changes, resulting in a failure to undergo reprogramming. Therefore, our results reveal that EMF directly regulates dynamic epigenetic changes through Mll2, providing an efficient tool for epigenetic reprogramming including the acquisition of pluripotency.

  20. Evidence of efficiency in United States futures oil prices

    International Nuclear Information System (INIS)

    Duchock, C.J. Jr.

    1991-01-01

    The purpose of this study was to use the Perpetual Contract Data for West Texas Intermediate Crude Oil futures contracts in studies of the US crude oil futures market prices to determine whether the market was efficient. Analysis was done to determine whether the Perpetual Contract Data exhibited the characteristics of a random walk. Daily data on US crude oil perpetual futures contract prices were analyzed using standard statistical techniques and spectral analysis techniques. Spectral analysis was used on the first differences of daily data to determine whether the price change data contained cyclicality. Results showed no significant cycles or autocorrelation in the data, concluding there was evidence to indicate the Perpetual Contract Data for futures prices is a random walk. This is similar to the conclusion by Howard (1988) that spot West Texas Intermediate Crude prices follow a random walk. Thus, both the futures and spot markets efficiently capture current information in prices

  1. Testing the financial market informational efficiency in emerging states

    OpenAIRE

    Camelia Oprean

    2012-01-01

    The Efficient Markets Hypothesis (EMH) has been one of the most influential ideas in the past years and highlights that assets prices incorporate all information rationally and instantaneously. The last financial crisis has led to criticism of this hypothesis. Many practical observations concerning the reaction of investors, but also the mechanisms for the information encompassing in the price of stocks, come to highlight the aspects of 'market inefficiency'. Despite its simplicity, the EMH i...

  2. Monitor Clean and Efficient. Current state of affairs 2010

    International Nuclear Information System (INIS)

    Gerdes, J.

    2010-04-01

    This is the second report of the annual Monitor of the Dutch Clean and Efficient programme. The monitoring focuses on the development of target variables, effects, results and progress of the process. Most of the data regarding the results and effects concern the period until the end of 2009. Some data are not yet available for 2009 and can therefore only be provided for the preceding years. [nl

  3. EFFICIENCY AND STOCK PERFORMANCE OF BANKS IN TRANSITION COUNTRIES: IS THERE A RELATIONSHIP?

    Directory of Open Access Journals (Sweden)

    Gülin Vardar

    2013-04-01

    Full Text Available The study investigates the link between the cost and profit efficiency scores of the banks in the Central and Eastern European Countries as well as Turkey along with their stock price performance to determine whether the efficiency scores are priced accordingly in bank stocks. Changes in efficiency scores of banks, obtained from Stochastic Frontier Analysis (SFA model, are regressed against their stock price performance by applying fixed effects panel regression technique. Empirical results indicate that changes in profit efficiency estimates have a positive and significant impact on stock returns; however, a significant but negative relationship is found between changes in cost efficiency and stock returns.

  4. Grassland to shrubland state transitions enhance carbon sequestration in the northern Chihuahuan Desert.

    Science.gov (United States)

    Petrie, M D; Collins, S L; Swann, A M; Ford, P L; Litvak, M E

    2015-03-01

    The replacement of native C4 -dominated grassland by C3 -dominated shrubland is considered an ecological state transition where different ecological communities can exist under similar environmental conditions. These state transitions are occurring globally, and may be exacerbated by climate change. One consequence of the global increase in woody vegetation may be enhanced ecosystem carbon sequestration, although the responses of arid and semiarid ecosystems may be highly variable. During a drier than average period from 2007 to 2011 in the northern Chihuahuan Desert, we found established shrubland to sequester 49 g C m(-2) yr(-1) on average, while nearby native C4 grassland was a net source of 31 g C m(-2) yr(-1) over this same period. Differences in C exchange between these ecosystems were pronounced--grassland had similar productivity compared to shrubland but experienced higher C efflux via ecosystem respiration, while shrubland was a consistent C sink because of a longer growing season and lower ecosystem respiration. At daily timescales, rates of carbon exchange were more sensitive to soil moisture variation in grassland than shrubland, such that grassland had a net uptake of C when wet but lost C when dry. Thus, even under unfavorable, drier than average climate conditions, the state transition from grassland to shrubland resulted in a substantial increase in terrestrial C sequestration. These results illustrate the inherent tradeoffs in quantifying ecosystem services that result from ecological state transitions, such as shrub encroachment. In this case, the deleterious changes to ecosystem services often linked to grassland to shrubland state transitions may at least be partially offset by increased ecosystem carbon sequestration. © 2014 John Wiley & Sons Ltd.

  5. Heterogeneous distribution of water in the mantle transition zone beneath United States inferred from seismic observations

    Science.gov (United States)

    Wang, Y.; Pavlis, G. L.; Li, M.

    2017-12-01

    The amount of water in the Earth's deep mantle is critical for the evolution of the solid Earth and the atmosphere. Mineral physics studies have revealed that Wadsleyite and Ringwoodite in the mantle transition zone could store several times the volume of water in the ocean. However, the water content and its distribution in the transition zone remain enigmatic due to lack of direct observations. Here we use seismic data from the full deployment of the Earthscope Transportable Array to produce 3D image of P to S scattering of the mantle transition zone beneath the United States. We compute the image volume from 141,080 pairs of high quality receiver functions defined by the Earthscope Automated Receiver Survey, reprocessed by the generalized iterative deconvolution method and imaged by the plane wave migration method. We find that the transition zone is filled with previously unrecognized small-scale heterogeneities that produce pervasive, negative polarity P to S conversions. Seismic synthetic modeling using a point source simulation method suggests two possible structures for these objects: 1) a set of randomly distributed blobs of slight difference in size, and 2) near vertical diapir structures from small scale convections. Combining with geodynamic simulations, we interpret the observation as compositional heterogeneity from small-scale, low-velocity bodies that are water enriched. Our results indicate there is a heterogeneous distribution of water through the entire mantle transition zone beneath the contiguous United States.

  6. Phase transitions of sodium niobate powder and ceramics, prepared by solid state synthesis

    Science.gov (United States)

    Koruza, J.; Tellier, J.; Malič, B.; Bobnar, V.; Kosec, M.

    2010-12-01

    Phase transitions of sodium niobate, prepared by the solid state synthesis method, were examined using dielectric measurements, differential scanning calorimetry, and high temperature x-ray diffraction, in order to contribute to the clarification of its structural behavior below 400 °C. Four phase transitions were detected in the ceramic sample using dielectric measurements and differential scanning calorimetry and the obtained temperatures were in a good agreement with previous reports for the transitions of the P polymorph. The anomaly observed by dielectric measurements in the vicinity of 150 °C was frequency dependent and could be related to the dynamics of the ferroelectric nanoregions. The phase transitions of the as-synthesized NaNbO3 powder were investigated using differential scanning calorimetry and high temperature x-ray diffraction. The results show the existence of the Q polymorph at room temperature, not previously reported for the powder, which undergoes a transition to the R polymorph upon heating through a temperature region between 265 and 326.5 °C. This transition is mainly related to the displacement of Na into a more symmetric position and a minor change in the tilting system. The structures at room temperature, 250, 300, and 420 °C were refined by the Rietveld method and the evolution of the tilting system of the octahedral network and cationic displacement are reported.

  7. Phase transitions of sodium niobate powder and ceramics, prepared by solid state synthesis

    International Nuclear Information System (INIS)

    Koruza, J.; Tellier, J.; Malic, B.; Bobnar, V.; Kosec, M.

    2010-01-01

    Phase transitions of sodium niobate, prepared by the solid state synthesis method, were examined using dielectric measurements, differential scanning calorimetry, and high temperature x-ray diffraction, in order to contribute to the clarification of its structural behavior below 400 deg. C. Four phase transitions were detected in the ceramic sample using dielectric measurements and differential scanning calorimetry and the obtained temperatures were in a good agreement with previous reports for the transitions of the P polymorph. The anomaly observed by dielectric measurements in the vicinity of 150 deg. C was frequency dependent and could be related to the dynamics of the ferroelectric nanoregions. The phase transitions of the as-synthesized NaNbO 3 powder were investigated using differential scanning calorimetry and high temperature x-ray diffraction. The results show the existence of the Q polymorph at room temperature, not previously reported for the powder, which undergoes a transition to the R polymorph upon heating through a temperature region between 265 and 326.5 deg. C. This transition is mainly related to the displacement of Na into a more symmetric position and a minor change in the tilting system. The structures at room temperature, 250, 300, and 420 deg. C were refined by the Rietveld method and the evolution of the tilting system of the octahedral network and cationic displacement are reported.

  8. Capturing the state transitions of seizure-like events using Hidden Markov models.

    Science.gov (United States)

    Guirgis, Mirna; Serletis, Demitre; Carlen, Peter L; Bardakjian, Berj L

    2011-01-01

    The purpose of this study was to investigate the number of states present in the progression of a seizure-like event (SLE). Of particular interest is to determine if there are more than two clearly defined states, as this would suggest that there is a distinct state preceding an SLE. Whole-intact hippocampus from C57/BL mice was used to model epileptiform activity induced by the perfusion of a low Mg(2+)/high K(+) solution while extracellular field potentials were recorded from CA3 pyramidal neurons. Hidden Markov models (HMM) were used to model the state transitions of the recorded SLEs by incorporating various features of the Hilbert transform into the training algorithm; specifically, 2- and 3-state HMMs were explored. Although the 2-state model was able to distinguish between SLE and nonSLE behavior, it provided no improvements compared to visual inspection alone. However, the 3-state model was able to capture two distinct nonSLE states that visual inspection failed to discriminate. Moreover, by developing an HMM based system a priori knowledge of the state transitions was not required making this an ideal platform for seizure prediction algorithms.

  9. A zwitterionic gel electrolyte for efficient solid-state supercapacitors

    Science.gov (United States)

    Peng, Xu; Liu, Huili; Yin, Qin; Wu, Junchi; Chen, Pengzuo; Zhang, Guangzhao; Liu, Guangming; Wu, Changzheng; Xie, Yi

    2016-01-01

    Gel electrolytes have attracted increasing attention for solid-state supercapacitors. An ideal gel electrolyte usually requires a combination of advantages of high ion migration rate, reasonable mechanical strength and robust water retention ability at the solid state for ensuring excellent work durability. Here we report a zwitterionic gel electrolyte that successfully brings the synergic advantages of robust water retention ability and ion migration channels, manifesting in superior electrochemical performance. When applying the zwitterionic gel electrolyte, our graphene-based solid-state supercapacitor reaches a volume capacitance of 300.8 F cm−3 at 0.8 A cm−3 with a rate capacity of only 14.9% capacitance loss as the current density increases from 0.8 to 20 A cm−3, representing the best value among the previously reported graphene-based solid-state supercapacitors, to the best of our knowledge. We anticipate that zwitterionic gel electrolyte may be developed as a gel electrolyte in solid-state supercapacitors. PMID:27225484

  10. EVIDENCE OF LIGHT-BENDING EFFECTS AND ITS IMPLICATION FOR SPECTRAL STATE TRANSITIONS

    International Nuclear Information System (INIS)

    Reis, R. C.; Miller, J. M.; Reynolds, M. T.; Fabian, A. C.; Walton, D. J.; Steiner, J. F.; Cackett, E.

    2013-01-01

    It has long been speculated that the nature of the hard X-ray corona may be an important second driver of black hole state transitions, in addition to the mass accretion rate through the disk. However, a clear physical picture of coronal changes has not yet emerged. We present results from a systematic analysis of Rossi X-Ray Timing Explorer observations of the stellar-mass black hole binary XTE J1650-500. All spectra with significant hard X-ray detections were fit using a self-consistent, relativistically blurred disk reflection model suited to high ionization regimes. Importantly, we find evidence that both the spectral and timing properties of black hole states may be partially driven by the height of the X-ray corona above the disk, and related changes in how gravitational light bending affects the corona-disk interaction. Specifically, the evolution of the power-law, thermal disk, and relativistically convolved reflection components in our spectral analysis indicates that: (1) the disk inner radius remains constant at r in =1.65 ± 0.08 GM/c 2 (consistent with values found for the ISCO of XTE J1650-500 in other works) throughout the transition from the brighter phases of the low-hard state to the intermediate states (both the hard-intermediate and soft-intermediate), through to the soft state and back; (2) the ratio between the observed reflected X-ray flux and power-law continuum (the 'reflection fraction', R) increases sharply at the transition between the hard-intermediate and soft-intermediate states ('ballistic' jets are sometimes launched at this transition); (3) both the frequency and coherence of the high-frequency quasi-periodic oscillations observed in XTE J1650-500 increase with R. We discuss our results in terms of black hole states and the nature of black hole accretion flows across the mass scale.

  11. 77 FR 14509 - State Energy Program and Energy Efficiency and Conservation Block Grant (EECBG) Program; Request...

    Science.gov (United States)

    2012-03-12

    ... DEPARTMENT OF ENERGY [Docket No. EESEP0216] State Energy Program and Energy Efficiency and Conservation Block Grant (EECBG) Program; Request for Information AGENCY: Office of Energy Efficiency and... (SEP) and Energy Efficiency and Conservation Block Grant (EECBG) program, in support of energy...

  12. Density of phonon-fracton states of disordered solids in the vicinity of percolation phase transitions

    International Nuclear Information System (INIS)

    Korzhenevskii, A.L.; Luzhkov, A.A.

    1991-01-01

    The development of a theory of phase transitions in disordered materials is still one of the central problems in solid-state physics. The model of a percolation phase transition plays the same role among the models put forward to account for phase transitions in disordered media as does the Ising model for second-order phase transitions in ideal crystals. In addition to the clear picture of the processes occurring in the course of a percolation phase transition, a scaling theory has been developed and various techniques have been used to calculate the critical exponents describing the thermodynamics of a medium in the vicinity of the percolation threshold. The authors adopt a field-theoretic approach in a study of acoustic properties of disordered solids undergoing percolation phase transitions characterized by h ∼ 1. Among these transitions they concentrate on the case with the simplest type of striction interaction when the solution of a stochastic vector differential equation of motion describing the behavior of an elastic medium in the critical region can be reduced to a scalar equation. The results of their calculations by the field renormalization group method confirmed the existence of the scaling relationships between the critical exponents and also the conclusion on the nature of short- and long-wavelength vibrations near the percolation threshold, which follow from phenomenological considerations of the scaling theory. The values of the upper critical dimensionality and of the critical exponents of the problem are shown to differ from the values applicable to percolation phase transitions characterized by h much-lt 1

  13. Immigration transition and depressive symptoms: four major ethnic groups of midlife women in the United States.

    Science.gov (United States)

    Im, Eun-Ok; Chang, Sun Ju; Chee, Wonshik; Chee, Eunice; Mao, Jun James

    2015-01-01

    The purpose of this study was to explore the relationships between immigration transition and depressive symptoms among 1,054 midlife women in the United States. This was a secondary analysis of the data from two national Internet survey studies. Questions on background characteristics and immigration transition and the Depression Index for Midlife Women were used to collect the data. The data were analyzed using inferential statistics including multiple regressions. Immigrants reported lower numbers of symptoms and less severe symptoms than nonimmigrants (p immigration status were significant predictors of depressive symptoms (R(2) =.01, p <.05).

  14. Theory of collisional excitation transition between Rydberg states of atoms. Non-inertial mechanism

    International Nuclear Information System (INIS)

    Kaulakys, B.P.

    1982-01-01

    The transitions between highly states of an atom due to the collision of its core with another atom are considered. The cross sections of the change of highly excited electron angular momentum, in the case of the transitions when the main quantum number is constant, are expressed in terms of transport cross sections of the perturbing atom scattering on the ion of Rydberg atom. It is shown that the cross sections of the momentum mixing at thermal rapidities are lower than the cross sections of the atom-ion elastic scattering

  15. Chaotic state to self-organized critical state transition of serrated flow dynamics during brittle-to-ductile transition in metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Wang, C.; Wang, W. H.; Bai, H. Y., E-mail: hybai@aphy.iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Sun, B. A. [Centre for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, City University of Hong Kong, Kowloon Tong, Kowloon (Hong Kong)

    2016-02-07

    We study serrated flow dynamics during brittle-to-ductile transition induced by tuning the sample aspect ratio in a Zr-based metallic glass. The statistical analysis reveals that the serrated flow dynamics transforms from a chaotic state characterized by Gaussian-distribution serrations corresponding to stick-slip motion of randomly generated and uncorrelated single shear band and brittle behavior, into a self-organized critical state featured by intermittent scale-free distribution of shear avalanches corresponding to a collective motion of multiple shear bands and ductile behavior. The correlation found between serrated flow dynamics and plastic deformation might shed light on the plastic deformation dynamic and mechanism in metallic glasses.

  16. Classical to quantum mechanical tunneling mechanism crossover in thermal transitions between magnetic states.

    Science.gov (United States)

    Vlasov, Sergei; Bessarab, Pavel F; Uzdin, Valery M; Jónsson, Hannes

    2016-12-22

    Transitions between states of a magnetic system can occur by jumps over an energy barrier or by quantum mechanical tunneling through the energy barrier. The rate of such transitions is an important consideration when the stability of magnetic states is assessed for example for nanoscale candidates for data storage devices. The shift in transition mechanism from jumps to tunneling as the temperature is lowered is analyzed and a general expression derived for the crossover temperature. The jump rate is evaluated using a harmonic approximation to transition state theory. First, the minimum energy path for the transition is found with the geodesic nudged elastic band method. The activation energy for the jumps is obtained from the maximum along the path, a saddle point on the energy surface, and the eigenvalues of the Hessian matrix at that point as well as at the initial state minimum used to estimate the entropic pre-exponential factor. The crossover temperature for quantum mechanical tunneling is evaluated from the second derivatives of the energy with respect to orientation of the spin vector at the saddle point. The resulting expression is applied to test problems where analytical results have previously been derived, namely uniaxial and biaxial spin systems with two-fold anisotropy. The effect of adding four-fold anisotropy on the crossover temperature is demonstrated. Calculations of the jump rate and crossover temperature for tunneling are also made for a molecular magnet containing an Mn 4 group. The results are in excellent agreement with previously reported experimental measurements on this system.

  17. On matrix stabilisation of d- and f-transition metal ions in unstable oxidation states

    Energy Technology Data Exchange (ETDEWEB)

    Kiselev, Yurii M [Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow (Russian Federation)

    2009-01-31

    The state-of-the-art in matrix stabilisation of d- and f-transition metal ions in unstable oxidation states is analysed. Main aspects of this problem concerning the genealogy of appropriate matrix systems are classified. Relevant examples are given and the data that contradict the scheme proposed are discussed. The thermodynamics of the matrix stabilisation effect is considered using the concept of isomorphic miscibility. The influence of defects and non-equilibrium on the matrix stabilisation effect is discussed. The problem of identification of the oxidation states in matrix systems is examined and various types of matrix systems are considered.

  18. Structure of transition nuclei states in fermion dynamic-symmetry model

    International Nuclear Information System (INIS)

    Baktybaev, K.; Kojlyk, N.O.; Romankulov, K.

    2007-01-01

    In the paper collective structures of osmium heavy isotopes nucleons are studied. Results of diagonalization of SO(6) symmetric Hamiltonian of fermion-dynamical symmetry-model are comparing with results of other phenomenological methods such as Bohr-Mottelson model and interacting bosons model. For heavy osmium isotopes not only collective excitations spectral bands but also for probability of E2-electromagnet transition are which are compared with existing experimental data. It is revealed, that complexity of state structure for examined nuclei is related with competition and interweaving of rotation and vibration states and also more complicated states of γ instable nature

  19. On matrix stabilisation of d- and f-transition metal ions in unstable oxidation states

    International Nuclear Information System (INIS)

    Kiselev, Yurii M

    2009-01-01

    The state-of-the-art in matrix stabilisation of d- and f-transition metal ions in unstable oxidation states is analysed. Main aspects of this problem concerning the genealogy of appropriate matrix systems are classified. Relevant examples are given and the data that contradict the scheme proposed are discussed. The thermodynamics of the matrix stabilisation effect is considered using the concept of isomorphic miscibility. The influence of defects and non-equilibrium on the matrix stabilisation effect is discussed. The problem of identification of the oxidation states in matrix systems is examined and various types of matrix systems are considered.

  20. Macroscopic Quantum States and Quantum Phase Transition in the Dicke Model

    International Nuclear Information System (INIS)

    Lian Jin-Ling; Zhang Yuan-Wei; Liang Jiu-Qing

    2012-01-01

    The energy spectrum of Dicke Hamiltonians with and without the rotating wave approximation for an arbitrary atom number is obtained analytically by means of the variational method, in which the effective pseudo-spin Hamiltonian resulting from the expectation value in the boson-field coherent state is diagonalized by the spin-coherent-state transformation. In addition to the ground-state energy, an excited macroscopic quantum-state is found corresponding to the south- and north-pole gauges of the spin-coherent states, respectively. Our results of ground-state energies in exact agreement with various approaches show that these models exhibit a zero-temperature quantum phase transition of the second order for any number of atoms, which was commonly considered as a phenomenon of the thermodynamic limit with the atom number tending to infinity. The critical behavior of the geometric phase is analyzed. (general)

  1. Efficient degradation of H2S over transition metal modified TiO2 under VUV irradiation: Performance and mechanism

    Science.gov (United States)

    Liu, Gaoyuan; Ji, Jian; Hu, Peng; Lin, Sixin; Huang, Haibao

    2018-03-01

    Odor pollution causes great harm to the atmospheric environment and human health. H2S, as an odor gas, is highly toxic and corrosive and thus requires removal efficiently. In this study, TiO2 catalysts modified by transition metals including Mn, Cu, Ni and Co, were prepared using a modified sol-gelatin method and tested under UV-PCO or VUV-PCO process. H2S degradation was great enhanced in VUV-PCO compared with conventional UV-PCO. Among the catalysts, 1 wt% Mn-TiO2 showed the highest removal efficiency of 89.9%, which is 30 times higher than that under 254 nm UV irradiation. Residual ozone in the outlet can be completely eliminated by Mn-TiO2. Photocatalytic oxidation, photolysis and ozone-assisted catalytic oxidation all involved in the VUV-PCO process and their contribution were determined by H2S removal efficiency.

  2. A universal indicator of critical state transitions in noisy complex networked systems.

    Science.gov (United States)

    Liang, Junhao; Hu, Yanqing; Chen, Guanrong; Zhou, Tianshou

    2017-02-23

    Critical transition, a phenomenon that a system shifts suddenly from one state to another, occurs in many real-world complex networks. We propose an analytical framework for exactly predicting the critical transition in a complex networked system subjected to noise effects. Our prediction is based on the characteristic return time of a simple one-dimensional system derived from the original higher-dimensional system. This characteristic time, which can be easily calculated using network data, allows us to systematically separate the respective roles of dynamics, noise and topology of the underlying networked system. We find that the noise can either prevent or enhance critical transitions, playing a key role in compensating the network structural defect which suffers from either internal failures or environmental changes, or both. Our analysis of realistic or artificial examples reveals that the characteristic return time is an effective indicator for forecasting the sudden deterioration of complex networks.

  3. Generic finite size scaling for discontinuous nonequilibrium phase transitions into absorbing states

    Science.gov (United States)

    de Oliveira, M. M.; da Luz, M. G. E.; Fiore, C. E.

    2015-12-01

    Based on quasistationary distribution ideas, a general finite size scaling theory is proposed for discontinuous nonequilibrium phase transitions into absorbing states. Analogously to the equilibrium case, we show that quantities such as response functions, cumulants, and equal area probability distributions all scale with the volume, thus allowing proper estimates for the thermodynamic limit. To illustrate these results, five very distinct lattice models displaying nonequilibrium transitions—to single and infinitely many absorbing states—are investigated. The innate difficulties in analyzing absorbing phase transitions are circumvented through quasistationary simulation methods. Our findings (allied to numerical studies in the literature) strongly point to a unifying discontinuous phase transition scaling behavior for equilibrium and this important class of nonequilibrium systems.

  4. Generating feasible transition paths for testing from an extended finite state machine (EFSM) with the counter problem

    OpenAIRE

    Kalaji, AS; Hierons, RM; Swift, S

    2009-01-01

    The extended finite state machine (EFSM) is a powerful approach for modeling state-based systems. However, testing from EFSMs is complicated by the existence of infeasible paths. One important problem is the existence of a transition with a guard that references a counter variable whose value depends on previous transitions. The presence of such transitions in paths often leads to infeasible paths. This paper proposes a novel approach to bypass the counter problem. The proposed approach is ev...

  5. Bus transit operational efficiency resulting from passenger boardings at park-and-ride facilities.

    Science.gov (United States)

    2016-08-01

    In order to save time and money by not driving to an ultimate destination, some urban commuters drive themselves a few miles to specially designated parking lots built for transit customers and located where trains or buses stop. The focus of this pa...

  6. State transition storyboards: A tool for designing the Goldstone solar system radar data acquisition system user interface software

    Science.gov (United States)

    Howard, S. D.

    1987-01-01

    Effective user interface design in software systems is a complex task that takes place without adequate modeling tools. By combining state transition diagrams and the storyboard technique of filmmakers, State Transition Storyboards were developed to provide a detailed modeling technique for the Goldstone Solar System Radar Data Acquisition System human-machine interface. Illustrations are included with a description of the modeling technique.

  7. Efficient construction of two-dimensional cluster states with probabilistic quantum gates

    International Nuclear Information System (INIS)

    Chen Qing; Cheng Jianhua; Wang Kelin; Du Jiangfeng

    2006-01-01

    We propose an efficient scheme for constructing arbitrary two-dimensional (2D) cluster states using probabilistic entangling quantum gates. In our scheme, the 2D cluster state is constructed with starlike basic units generated from 1D cluster chains. By applying parallel operations, the process of generating 2D (or higher-dimensional) cluster states is significantly accelerated, which provides an efficient way to implement realistic one-way quantum computers

  8. A new phosphine oxide host based on ortho-disubstituted dibenzofuran for efficient electrophosphorescence: towards high triplet state excited levels and excellent thermal, morphological and efficiency stability.

    Science.gov (United States)

    Han, Chunmiao; Xie, Guohua; Li, Jing; Zhang, Zhensong; Xu, Hui; Deng, Zhaopeng; Zhao, Yi; Yan, Pengfei; Liu, Shiyong

    2011-08-01

    An efficient host for blue and green electrophosphorescence, 4,6-bis(diphenylphosphoryl)dibenzofuran (o-DBFDPO), with the structure of a short-axis-substituted dibenzofuran was designed and synthesised. It appears that the greater density of the diphenylphosphine oxide (DPPO) moieties in the short-axis substitution configuration effectively restrains the intermolecular interactions, because only very weak π-π stacking interactions could be observed, with a centroid-to-centroid distance of 3.960 Å. The improved thermal stability of o-DBFDPO was corroborated by its very high glass transition temperature (T(g)) of 191 °C, which is the result of the symmetric disubstitution structure. Photophysical investigation showed o-DBFDPO to be superior to the monosubstituted derivative, with a longer lifetime (1.95 ns) and a higher photoluminescent quantum efficiency (61 %). The lower first singlet state excited level (3.63 eV) of o-DBFDPO demonstrates the stronger polarisation effect attributable to the greater number of DPPO moieties. Simultaneously, an extremely high first triplet state excited level (T(1)) of 3.16 eV is observed, demonstrating the tiny influence of short-axis substitution on T(1). The improved carrier injection ability, which contributed to low driving voltages of blue- and green-emitting phosphorescent organic light-emitting diodes (PHOLEDs), was further confirmed by Gaussian calculation. Furthermore, the better thermal and morphological properties of o-DBFDPO and the matched frontier molecular orbital (FMO) levels in the devices significantly reduced efficiency roll-offs. Efficient blue and green electrophosphorescence based on the o-DBFDPO host was demonstrated. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Integrating continuous stocks and flows into state-and-transition simulation models of landscape change

    Science.gov (United States)

    Daniel, Colin J.; Sleeter, Benjamin M.; Frid, Leonardo; Fortin, Marie-Josée

    2018-01-01

    State-and-transition simulation models (STSMs) provide a general framework for forecasting landscape dynamics, including projections of both vegetation and land-use/land-cover (LULC) change. The STSM method divides a landscape into spatially-referenced cells and then simulates the state of each cell forward in time, as a discrete-time stochastic process using a Monte Carlo approach, in response to any number of possible transitions. A current limitation of the STSM method, however, is that all of the state variables must be discrete.Here we present a new approach for extending a STSM, in order to account for continuous state variables, called a state-and-transition simulation model with stocks and flows (STSM-SF). The STSM-SF method allows for any number of continuous stocks to be defined for every spatial cell in the STSM, along with a suite of continuous flows specifying the rates at which stock levels change over time. The change in the level of each stock is then simulated forward in time, for each spatial cell, as a discrete-time stochastic process. The method differs from the traditional systems dynamics approach to stock-flow modelling in that the stocks and flows can be spatially-explicit, and the flows can be expressed as a function of the STSM states and transitions.We demonstrate the STSM-SF method by integrating a spatially-explicit carbon (C) budget model with a STSM of LULC change for the state of Hawai'i, USA. In this example, continuous stocks are pools of terrestrial C, while the flows are the possible fluxes of C between these pools. Importantly, several of these C fluxes are triggered by corresponding LULC transitions in the STSM. Model outputs include changes in the spatial and temporal distribution of C pools and fluxes across the landscape in response to projected future changes in LULC over the next 50 years.The new STSM-SF method allows both discrete and continuous state variables to be integrated into a STSM, including interactions between

  10. Nuclear matter at high density: Phase transitions, multiquark states, and supernova outbursts

    International Nuclear Information System (INIS)

    Krivoruchenko, M. I.; Nadyozhin, D. K.; Rasinkova, T. L.; Simonov, Yu. A.; Trusov, M. A.; Yudin, A. V.

    2011-01-01

    Phase transition from hadronic matter to quark-gluon matter is discussed for various regimes of temperature and baryon number density. For small and medium densities, the phase transition is accurately described in the framework of the Field Correlation Method, whereas at high density predictions are less certain and leave room for the phenomenological models. We study formation of multiquark states (MQS) at zero temperature and high density. Relevant MQS components of the nuclear matter can be described using a previously developed formalism of the quark compound bags (QCB). Partialwave analysis of nucleon-nucleon scattering indicates the existence of 6QS which manifest themselves as poles of P matrix. In the framework of the QCB model, we formulate a self-consistent system of coupled equations for the nucleon and 6QS propagators in nuclear matter and the G matrix. The approach provides a link between high-density nuclear matter with the MQS components and the cumulative effect observed in reactions on the nuclei, which requires the admixture of MQS in the wave functions of nuclei kinematically. 6QS determines the natural scale of the density for a possible phase transition into theMQS phase of nuclear matter. Such a phase transition can lead to dynamic instability of newly born protoneutron stars and dramatically affect the dynamics of supernovae. Numerical simulations show that the phase transition may be a good remedy for the triggering supernova explosions in the spherically symmetric supernovamodels. A specific signature of the phase transition is an additional neutrino peak in the neutrino light curve. For a Galactic core-collapse supernova, such a peak could be resolved by the present neutrino detectors. The possibility of extracting the parameters of the phase of transition from observation of the neutrino signal is discussed also.

  11. Nuclear matter at high density: Phase transitions, multiquark states, and supernova outbursts

    Energy Technology Data Exchange (ETDEWEB)

    Krivoruchenko, M. I.; Nadyozhin, D. K.; Rasinkova, T. L.; Simonov, Yu. A.; Trusov, M. A., E-mail: trusov@itep.ru; Yudin, A. V. [Institute for Theoretical and Experimental Physics (Russian Federation)

    2011-03-15

    Phase transition from hadronic matter to quark-gluon matter is discussed for various regimes of temperature and baryon number density. For small and medium densities, the phase transition is accurately described in the framework of the Field Correlation Method, whereas at high density predictions are less certain and leave room for the phenomenological models. We study formation of multiquark states (MQS) at zero temperature and high density. Relevant MQS components of the nuclear matter can be described using a previously developed formalism of the quark compound bags (QCB). Partialwave analysis of nucleon-nucleon scattering indicates the existence of 6QS which manifest themselves as poles of P matrix. In the framework of the QCB model, we formulate a self-consistent system of coupled equations for the nucleon and 6QS propagators in nuclear matter and the G matrix. The approach provides a link between high-density nuclear matter with the MQS components and the cumulative effect observed in reactions on the nuclei, which requires the admixture of MQS in the wave functions of nuclei kinematically. 6QS determines the natural scale of the density for a possible phase transition into theMQS phase of nuclear matter. Such a phase transition can lead to dynamic instability of newly born protoneutron stars and dramatically affect the dynamics of supernovae. Numerical simulations show that the phase transition may be a good remedy for the triggering supernova explosions in the spherically symmetric supernovamodels. A specific signature of the phase transition is an additional neutrino peak in the neutrino light curve. For a Galactic core-collapse supernova, such a peak could be resolved by the present neutrino detectors. The possibility of extracting the parameters of the phase of transition from observation of the neutrino signal is discussed also.

  12. State-and-transition models: Conceptual versus simulation perspectives, usefulness and breadth of use, and land management applications

    Science.gov (United States)

    Provencher, Louis; Frid, Leonardo; Czembor, Christina; Morisette, Jeffrey T.

    2016-01-01

    State-and-Transition Simulation Modeling (STSM) is a quantitative analysis method that can consolidate a wide array of resource management issues under a “what-if” scenario exercise. STSM can be seen as an ensemble of models, such as climate models, ecological models, and economic models that incorporate human dimensions and management options. This chapter presents STSM as a tool to help synthesize information on social–ecological systems and to investigate some of the management issues associated with exotic annual Bromus species, which have been described elsewhere in this book. Definitions, terminology, and perspectives on conceptual and computer-simulated stochastic state-and-transition models are given first, followed by a brief review of past STSM studies relevant to the management of Bromus species. A detailed case study illustrates the usefulness of STSM for land management. As a whole, this chapter is intended to demonstrate how STSM can help both managers and scientists: (a) determine efficient resource allocation for monitoring nonnative grasses; (b) evaluate sources of uncertainty in model simulation results involving expert opinion, and their consequences for management decisions; and (c) provide insight into the consequences of predicted local climate change effects on ecological systems invaded by exotic annual Bromus species.

  13. High Efficiency Boost Converter with Three State Switching Cell

    DEFF Research Database (Denmark)

    Klimczak, Pawel; Munk-Nielsen, Stig

    2009-01-01

    is on performance improvement of this type of the converter. Use of foil windings helps to reduce conduction losses in magnetic components and to reduce size of these components. Also it has been demonstrated that the regulation range of this type of converter can be increased by operation with duty cycle lower......The boost converter with the three-state switching cell seems to be a good candidate for a dc-dc stage for non-isolated generators based on alternative energy sources. It provides a high voltage gain, a reduced voltage stress on transistors and limited input current ripples. In this paper the focus...

  14. Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low-lying states of the CO+ cation

    Science.gov (United States)

    Xing, Wei; Shi, Deheng; Zhang, Jicai; Sun, Jinfeng; Zhu, Zunlue

    2018-05-01

    This paper calculates the potential energy curves of 21 Λ-S and 42 Ω states, which arise from the first two dissociation asymptotes of the CO+ cation. The calculations are conducted using the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with the Davidson correction. To improve the reliability and accuracy of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are taken into account. The spectroscopic parameters and vibrational levels are determined. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is evaluated. To better study the transition probabilities, the transition dipole moments are computed. The Franck-Condon factors and Einstein coefficients of some emissions are calculated. The radiative lifetimes are determined for a number of vibrational levels of several states. The transitions between different Λ-S states are evaluated. Spectroscopic routines for observing these states are proposed. The spectroscopic parameters, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very reliable and can be used as guidelines for detecting these states in an appropriate spectroscopy experiment, especially for the states that were very difficult to observe or were not detected in previous experiments.

  15. Nurse staffing patterns and hospital efficiency in the United States.

    Science.gov (United States)

    Bloom, J R; Alexander, J A; Nuchols, B A

    1997-01-01

    The objective of this exploratory study was to assess the effects of four nurse staffing patterns on the efficiency of patient care delivery in the hospital: registered nurses (RNs) from temporary agencies; part-time career RNs; RN rich skill mix; and organizationally experienced RNs. Using Transaction Cost Analysis, four regression models were specified to consider the effect of these staffing plans on personnel and benefit costs and on non-personnel operating costs. A number of additional variables were also included in the models to control for the effect of other organization and environmental determinants of hospital costs. Use of career part-time RNs and experienced staff reduced both personnel and benefit costs, as well as total non-personnel operating costs, while the use of temporary agencies for RNs increased non-personnel operating costs. An RN rich skill mix was not related to either measure of hospital costs. These findings provide partial support of the theory. Implications of our findings for future research on hospital management are discussed.

  16. What factors are associated with state performance on provision of transition services to CSHCN?

    Science.gov (United States)

    Kane, Debra J; Kasehagen, Laurin; Punyko, Judy; Carle, Adam C; Penziner, Andy; Thorson, Sarah

    2009-12-01

    To examine whether individual, condition-related, and system-related characteristics are associated with state performance (high, medium, low) on the provision of transition services to children with special health care needs (CSHCN). We conducted descriptive, bivariate, and multivariable analyses of 16876 children aged 12 to 17 years by using data from the 2005-2006 National Survey of Children With Special Health Care Needs. Polytomous logistic regression was used to compare the characteristics of CSHCN residing within high-, medium-, and low-performance states, with low-performance states serving as the reference group. Compared with non-Hispanic white CSHCN, Hispanic (adjusted odds ratio [aOR]: 0.25 [95% confidence interval (CI): 0.17-0.37]) and non-Hispanic black (aOR: 0.44 [95% CI: 0.30-0.62]) CSHCN were less likely to reside in a high-performance than in a low-performance state. Compared with CSHCN who had a medical home or adequate insurance coverage, CSHCN who did not have a medical home or adequate insurance coverage were less likely to reside in a high-performance than in a low-performance state (aOR: 0.73 [95% CI: 0.57-0.95]; aOR: 0.73 [95% CI: 0.58-0.93], respectively). Key factors found to be important in a state's performance on provision of transition services to CSHCN were race/ethnicity and having a medical home and adequate insurance coverage. Efforts to support the Maternal and Child Health Bureau's integration of system-level factors in quality-improvement activities, particularly establishing a medical home and attaining and maintaining adequate insurance, are likely to help states improve their performance on provision of transition services.

  17. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, Don Wesley [Univ. of California, Berkeley, CA (United States)

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O3-. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO2, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C2- - C11-), and van der Waals clusters (X-(CO2)n, X = I, Br, Cl; n {le} 13 and I- (N2O)n=1--11). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X-(CO2)n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products.

  18. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Arnold, D.W.

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O 3 - . A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO 2 , has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO 2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO 2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C 2 - - C 11 - ), and van der Waals clusters (X - (CO 2 ) n , X = I, Br, Cl; n ≤ 13 and I - (N 2 O) n=1--11 ). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X - (CO 2 )n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products

  19. Movement-related and steady-state electromyographic activity of human elbow flexors in slow transition movements between two equilibrium states.

    Science.gov (United States)

    Tal'nov, A N; Cherkassky, V L; Kostyukov, A I

    1997-08-01

    The electromyograms were recorded in healthy human subjects by surface electrodes from the mm. biceps brachii (caput longum et. brevis), brachioradialis, and triceps brachii (caput longum) during slow transition movements in elbow joint against a weak extending torque. The test movements (flexion transitions between two steady-states) were fulfilled under visual control through combining on a monitor screen a signal from a joint angle sensor with a corresponding command generated by a computer. Movement velocities ranged between 5 and 80 degrees/s, subjects were asked to move forearm without activation of elbow extensors. Surface electromyograms were full-wave rectified, filtered and averaged within sets of 10 identical tests. Amplitudes of dynamic and steady-state components of the electromyograms were determined in dependence on a final value of joint angle, slow and fast movements were compared. An exponential-like increase of dynamic component was observed in electromyograms recorded from m. biceps brachii, the component had been increased with movement velocity and with load increment. In many experiments a statistically significant decrease of static component could be noticed within middle range of joint angles (40-60 degrees) followed by a well expressed increment for larger movements. This pattern of the static component in electromyograms could vary in different experiments even in the same subjects. A steady discharge in m. brachioradialis at ramp phase has usually been recorded only under a notable load. Variable and quite often unpredictable character of the static components of the electromyograms recorded from elbow flexors in the transition movements makes it difficult to use the equilibrium point hypothesis to describe the central processes of movement. It has been assumed that during active muscle shortening the dynamic components in arriving efferent activity should play a predominant role. A simple scheme could be proposed for transition to a

  20. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

    2014-01-01

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  1. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong

    2014-02-07

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  2. Single-step linking transition from superdeformed to spherical states in {sup 143}Eu

    Energy Technology Data Exchange (ETDEWEB)

    Atac, A.; Axelsson, A.; Persson, J. [Uppsala Univ. (Sweden)] [and others

    1996-12-31

    A discrete {gamma}-ray transition which connects the second lowest SD state with a normally deformed one in {sup 143}Eu has been discovered. It has an energy of 3360.6 keV and carries 3.2 % of the full intensity of the SD band. It feeds into a nearly spherical state which is above the I = 35/2{sup +}, E=4947 keV level. The exact placement of the single-step link could, however, not be established due to the especially complicated level scheme in the region of interest. The angular correlation study favours a stretched dipole character for the 3360.6 keV transition. The single-step link agrees well with the previously determined two-step links, both with respect to energy and spin.

  3. An expression of excess work during the transition between nonequilibrium steady states

    International Nuclear Information System (INIS)

    Yuge, Tatsuro

    2014-01-01

    Excess work is a nondiverging part of the work during the transition between nonequilibrium steady states (NESSs). It is a central quantity in steady-state thermodynamics (SST), which is a candidate for nonequilibrium thermodynamics theory. We derive an expression of excess work during quasistatic transitions between NESSs by using the macroscopic linear response relation of the NESS. This expression is a line integral of a vector potential in the space of control parameters. We show a relationship between the vector potential and the response function of the NESS, and thus obtain a relationship between the SST and a macroscopic quantity. We also connect the macroscopic formulation to microscopic physics through a microscopic expression of the nonequilibrium response function, which gives a result that is consistent with previous studies. (paper)

  4. Heat capacity for systems with excited-state quantum phase transitions

    Energy Technology Data Exchange (ETDEWEB)

    Cejnar, Pavel; Stránský, Pavel, E-mail: stransky@ipnp.troja.mff.cuni.cz

    2017-03-18

    Heat capacities of model systems with finite numbers of effective degrees of freedom are evaluated using canonical and microcanonical thermodynamics. Discrepancies between both approaches, which are observed even in the infinite-size limit, are particularly large in systems that exhibit an excited-state quantum phase transition. The corresponding irregularity of the spectrum generates a singularity in the microcanonical heat capacity and affects smoothly the canonical heat capacity. - Highlights: • Thermodynamics of systems with excited-state quantum phase transitions • ESQPT-generated singularities of the microcanonical heat capacity • Non-monotonous dependences of the canonical heat capacity • Discord between canonical and microcanonical pictures in the infinite-size limit.

  5. On the valence state of Yb and Ce in transition metal intermetallic compounds

    International Nuclear Information System (INIS)

    Boer, F.R. de; Dijkman, W.H.; Mattens, W.C.M.

    1979-01-01

    In the pure state Yb is a divalent metal, similar to Ca; in alloys it can become trivalent like the majority of the rare earth metals. Using a value of 38 kJ (mol Yb) -1 for the energy difference between divalent and trivalent Yb metal and using model calculations for the heat of formation of intermetallic compounds, the authors are able to account for the existing information on the valence state of Yb in transition metal compounds. A similar analysis of compounds of Ce with transition metals shows that a model in which the 4f electron is treated as a core electron, i.e. being absent in the tetravalent modification of Ce and present as a fully localized electron in trivalent Ce, does not apply. (Auth.)

  6. Cyclic electron flow is redox-controlled but independent of state transition.

    Science.gov (United States)

    Takahashi, Hiroko; Clowez, Sophie; Wollman, Francis-André; Vallon, Olivier; Rappaport, Fabrice

    2013-01-01

    Photosynthesis is the biological process that feeds the biosphere with reduced carbon. The assimilation of CO2 requires the fine tuning of two co-existing functional modes: linear electron flow, which provides NADPH and ATP, and cyclic electron flow, which only sustains ATP synthesis. Although the importance of this fine tuning is appreciated, its mechanism remains equivocal. Here we show that cyclic electron flow as well as formation of supercomplexes, thought to contribute to the enhancement of cyclic electron flow, are promoted in reducing conditions with no correlation with the reorganization of the thylakoid membranes associated with the migration of antenna proteins towards Photosystems I or II, a process known as state transition. We show that cyclic electron flow is tuned by the redox power and this provides a mechanistic model applying to the entire green lineage including the vast majority of the cases in which state transition only involves a moderate fraction of the antenna.

  7. State and Local Initiatives: Your Bridge to Renewable Energy and Energy Efficiency Resources (Brochure)

    International Nuclear Information System (INIS)

    Epstein, K.

    2001-01-01

    A brochure for local and state policymakers, informing them about the State and Local Initiatives team at the National Renewable Energy Laboratory. The brochure outlines the benefits of using renewables and energy efficiency, the benefits of using the State and Local Initiatives team as a liaison to the wealth of information at NREL, and some of the services and resources available

  8. An effective and efficient implementation of the energy transition; Die effektive und effiziente Umsetzung der Energiewende

    Energy Technology Data Exchange (ETDEWEB)

    Birkner, Peter [Mainova AG, Frankfurt (Germany). Ressort Technik

    2015-01-15

    Significant temporary overproduction and underproduction are inevitable concomitants of any energy supply system based on the renewable energy resources of sun and wind. But how can this increasingly volatile system be stabilised? When do we need which technology? Where will technological progress lead us to and at what speed? This article undertakes a holistic assessment of the potentials and dependencies associated with the changes brought about by the energy transition.

  9. Human Factors of Automated Driving : Predicting the Effects of Authority Transitions on Traffic Flow Efficiency

    NARCIS (Netherlands)

    Varotto, S.F.; Hoogendoorn, R.G.; Van Arem, B.; Hoogendoorn, S.P.

    2014-01-01

    Automated driving potentially has a significant impact on traffic flow efficiency. Automated vehicles, which possess cooperative capabilities, are expected to reduce congestion levels for instance by increasing road capacity, by anticipating traffic conditions further downstream and also by

  10. Chapter 5: Application of state-and-transition models to evaluate wildlife habitat

    Science.gov (United States)

    Anita T. Morzillo; Pamela Comeleo; Blair Csuti; Stephanie Lee

    2014-01-01

    Wildlife habitat analysis often is a central focus of natural resources management and policy. State-and-transition models (STMs) allow for simulation of landscape level ecological processes, and for managers to test “what if” scenarios of how those processes may affect wildlife habitat. This chapter describes the methods used to link STM output to wildlife habitat to...

  11. An investigation of one- versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions.

    Science.gov (United States)

    Greene, Samuel M; Shan, Xiao; Clary, David C

    2016-02-28

    We investigate which terms in Reduced-Dimensionality Semiclassical Transition State Theory (RD SCTST) contribute most significantly in rate constant calculations of hydrogen extraction and exchange reactions of hydrocarbons. We also investigate the importance of deep tunneling corrections to the theory. In addition, we introduce a novel formulation of the theory in Jacobi coordinates. For the reactions of H atoms with methane, ethane, and cyclopropane, we find that a one-dimensional (1-D) version of the theory without deep tunneling corrections compares well with 2-D SCTST results and accurate quantum scattering results. For the "heavy-light-heavy" H atom exchange reaction between CH3 and CH4, deep tunneling corrections are needed to yield 1-D results that compare well with 2-D results. The finding that accurate rate constants can be obtained from derivatives of the potential along only one dimension further validates RD SCTST as a computationally efficient yet accurate rate constant theory.

  12. NASA satellite communications application research. Phase 2: Efficient high power, solid state amplifier for EFH communications

    Science.gov (United States)

    Benet, James

    1993-01-01

    The final report describes the work performed from 9 Jun. 1992 to 31 Jul. 1993 on the NASA Satellite Communications Application Research (SCAR) Phase 2 program, Efficient High Power, Solid State Amplifier for EHF Communications. The purpose of the program was to demonstrate the feasibility of high-efficiency, high-power, EHF solid state amplifiers that are smaller, lighter, more efficient, and less costly than existing traveling wave tube (TWT) amplifiers by combining the output power from up to several hundred solid state amplifiers using a unique orthomode spatial power combiner (OSPC).

  13. Regimes of radiative and nonradiative transitions in transport through an electronic system in a photon cavity reaching a steady state

    Science.gov (United States)

    Gudmundsson, Vidar; Jonsson, Thorsteinn H.; Bernodusson, Maria Laura; Abdullah, Nzar Rauf; Sitek, Anna; Goan, Hsi-Sheng; Tang, Chi-Shung; Manolescu, Andrei

    2017-01-01

    We analyze how a multilevel many-electron system in a photon cavity approaches the steady state when coupled to external leads. When a plunger gate is used to lower cavity photon dressed one- and two-electron states below the bias window defined by the external leads, we can identify one regime with nonradiative transitions dominating the electron transport, and another regime with radiative transitions. Both transitions trap the electrons in the states below the bias bringing the system into a steady state. The order of the two regimes and their relative strength depends on the location of the bias window in the energy spectrum of the system and the initial conditions.

  14. Photoemission from solids: the transition from solid-state to atomic physics

    International Nuclear Information System (INIS)

    Shirley, D.A.

    1980-08-01

    As the photon energy is increased, photoemission from solids undergoes a slow transition from solid-state to atomic behavior. However, throughout the energy range hν = 10 to 1000 eV or higher both types of phenomena are present. Thus angle-resolved photoemission can only be understood quantitatively if each experimenter recognizes the presence of band-structure, photoelectron diffraction, and photoelectron asymmetry effects. The quest for this understanding will build some interesting bridges between solid-state and atomic physics and should also yield important new insights about the phenomena associated with photoemission

  15. State-and-transition prototype model of riparian vegetation downstream of Glen Canyon Dam, Arizona

    Science.gov (United States)

    Ralston, Barbara E.; Starfield, Anthony M.; Black, Ronald S.; Van Lonkhuyzen, Robert A.

    2014-01-01

    Facing an altered riparian plant community dominated by nonnative species, resource managers are increasingly interested in understanding how to manage and promote healthy riparian habitats in which native species dominate. For regulated rivers, managing flows is one tool resource managers consider to achieve these goals. Among many factors that can influence riparian community composition, hydrology is a primary forcing variable. Frame-based models, used successfully in grassland systems, provide an opportunity for stakeholders concerned with riparian systems to evaluate potential riparian vegetation responses to alternative flows. Frame-based, state-and-transition models of riparian vegetation for reattachment bars, separation bars, and the channel margin found on the Colorado River downstream of Glen Canyon Dam were constructed using information from the literature. Frame-based models can be simple spreadsheet models (created in Microsoft® Excel) or developed further with programming languages (for example, C-sharp). The models described here include seven community states and five dam operations that cause transitions between states. Each model divides operations into growing (April–September) and non-growing seasons (October–March) and incorporates upper and lower bar models, using stage elevation as a division. The inputs (operations) can be used by stakeholders to evaluate flows that may promote dynamic riparian vegetation states, or identify those flow options that may promote less desirable states (for example, Tamarisk [Tamarix sp.] temporarily flooded shrubland). This prototype model, although simple, can still elicit discussion about operational options and vegetation response.

  16. Magnetic states, correlation effects and metal-insulator transition in FCC lattice

    Science.gov (United States)

    Timirgazin, M. A.; Igoshev, P. A.; Arzhnikov, A. K.; Irkhin, V. Yu

    2016-12-01

    The ground-state magnetic phase diagram (including collinear and spiral states) of the single-band Hubbard model for the face-centered cubic lattice and related metal-insulator transition (MIT) are investigated within the slave-boson approach by Kotliar and Ruckenstein. The correlation-induced electron spectrum narrowing and a comparison with a generalized Hartree-Fock approximation allow one to estimate the strength of correlation effects. This, as well as the MIT scenario, depends dramatically on the ratio of the next-nearest and nearest electron hopping integrals {{t}\\prime}/t . In contrast with metallic state, possessing substantial band narrowing, insulator one is only weakly correlated. The magnetic (Slater) scenario of MIT is found to be superior over the Mott one. Unlike simple and body-centered cubic lattices, MIT is the first order transition (discontinuous) for most {{t}\\prime}/t . The insulator state is type-II or type-III antiferromagnet, and the metallic state is spin-spiral, collinear antiferromagnet or paramagnet depending on {{t}\\prime}/t . The picture of magnetic ordering is compared with that in the standard localized-electron (Heisenberg) model.

  17. Transient transition from free carrier metallic state to exciton insulating state in GaAs by ultrafast photoexcitation

    Science.gov (United States)

    Nie, X. C.; Song, Hai-Ying; Zhang, Xiu; Gu, Peng; Liu, Shi-Bing; Li, Fan; Meng, Jian-Qiao; Duan, Yu-Xia; Liu, H. Y.

    2018-03-01

    We present systematic studies of the transient dynamics of GaAs by ultrafast time-resolved reflectivity. In photoexcited non-equilibrium states, we found a sign reverse in reflectivity change ΔR/R, from positive around room temperature to negative at cryogenic temperatures. The former corresponds to a free carrier metallic state, while the latter is attributed to an exciton insulating state, in which the transient electronic properties is mostly dominated by excitons, resulting in a transient metal–insulator transition (MIT). Two transition temperatures (T 1 and T 2) are well identified by analyzing the intensity change of the transient reflectivity. We found that photoexcited MIT starts emerging at T 1 as high as ∼ 230 K, in terms of a dip feature at 0.4 ps, and becomes stabilized below T 2 that is up to ∼ 180 K, associated with a negative constant after 40 ps. Our results address a phase diagram that provides a framework for the inducing of MIT through temperature and photoexcitation, and may shed light on the understanding of light-semiconductor interaction and exciton physics.

  18. The Institutional Component of the Efficient Economic Policy of the State

    Directory of Open Access Journals (Sweden)

    Mykytas Viktoriia V

    2016-01-01

    Full Text Available The article substantiates the necessity of institutional accompanying the economic policy of the State, establishing an efficient system of institutions. Challenges of the contemporary globalization require changes in the State influence on economy, redefining quality parameters and principles of an efficient economic policy. Complexity of the State policy in a global environment is determined not only by importance of the tasks of establishing an efficient market against the background of increasing influences of exogenous uncertainty, but also by seeking ways of entering the global space, thus implementing the best interests of national economic development. The article deduces parameters of the concept of «efficient institution». The author believes that institutions precisely should act as the link through which social and economic development would become unseparated in order to form a stable efficient socio-economic development

  19. First identification of the 02+ state in 30Mg via its E0 transition

    International Nuclear Information System (INIS)

    Schwerdtfeger, Wolfgang Norbert Erik

    2008-01-01

    The known 1789 keV level in 30 Mg turned out to be a candidate for the 0 2 + state due to its long lifetime of 3.9(4) ns and the absence of a γ transition to the ground state. This triggered our search on the 0 2 + →0 1 + E0 transition in 30 Mg following the β decay of 30 Na: β decay electrons were detected in a scintillation detector, while conversion electrons were focused onto a cooled Si(Li) detector using a Mini-Orange and detected with high resolution, which simultaneously suppresses the high background of β decay electrons. Due to the large Q value of the β decay of 30 Na (17.3 MeV) the suppression of the coincident background induced by high-energy γ rays and subsequently Compton-scattered electrons turned out to be the key challenge for the success of this experiment. In order to optimise the background suppression and thus the sensitivity to weak E0 transitions, offline test measurements using an 90 Y and a 152 Eu source were performed together with GEANT4 simulations. Resulting from these test measurements a highly sensitive experimental setup was designed and built, consequently minimising the amount of high-Z material in the target chamber, reducing X-ray production. As a by-product from test measurements the database value of the half-life of the 0 2 + state in 90 Zr could be corrected by more than 30 % to be t 1/2 =41(1) ns. Finally, in a β decay experiment at the ISOLDE facility at CERN the 0 2 + →0 1 + E0 transition in 30 Mg could be identified at the expected transition energy of 1788 keV proving for the first time shape coexistence at the borderline of the 'Island of Inversion'. This identification allows to determine the electric monopole strength as ρ 2 (E0)=26.2(7.5) x 10 -3 , indicating a rather weak mixing between the states in two potential minima in a simplified two-level mixing model. This result allows to extract the mixing amplitude between the two 0 + states as a=0.179(83). This experimental finding represents the first

  20. State governance evolution in resource-rich transition economies: An application to Russia and Kazakhstan

    Energy Technology Data Exchange (ETDEWEB)

    Kalyuzhnova, Yelena; Nygaard, Christian [The Centre for Euro-Asian Studies, The University of Reading, Whiteknights, PO Box, Reading RG6 6AA (United Kingdom)

    2008-06-15

    Following a decade of transition in the Former Soviet Union (FSU), governance of the oil and gas sectors has evolved to economic nationalism. In the newly independent states this has manifested itself through greater (direct) state ownership or participation in oil and gas production, at the expense of both domestic (in the case of Russia) and international oil companies, as well as legislative developments that increase the flow of oil and gas value to the state. Here we analyse some of the dynamics giving rise to economic nationalism within a model of a state capacity and the ability to implement policy and extract value. Our analysis is based on the institutional and economic functioning of the oil and gas sector. We analyse a vector of institutions and examine Production Sharing Agreements and National Oil Companies. (author)

  1. Dynamics of SARS-coronavirus HR2 domain in the prefusion and transition states

    Science.gov (United States)

    McReynolds, Susanna; Jiang, Shaokai; Rong, Lijun; Caffrey, Michael

    2009-12-01

    The envelope glycoproteins S1 and S2 of severe acute respiratory syndrome coronavirus (SARS-CoV) mediate viral entry by conformational change from a prefusion state to a postfusion state that enables fusion of the viral and target membranes. In this work we present the characterization of the dynamic properties of the SARS-CoV S2-HR2 domain (residues 1141-1193 of S) in the prefusion and newly discovered transition states by NMR 15N relaxation studies. The dynamic properties of the different states, which are stabilized under different experimental conditions, extend the current model of viral membrane fusion and give insight into the design of structure-based antagonists of SARS-CoV in particular, as well as other enveloped viruses such as HIV.

  2. Industrial Energy Efficiency: Designing Effective State Programs for the Industrial Sector

    Energy Technology Data Exchange (ETDEWEB)

    Goldberg, Amelie [Institute for Industrial Productivity (United States); Taylor, Robert P. [Institute for Industrial Productivity (United States); Hedman, Bruce [Institute for Industrial Productivity (United States)

    2014-03-21

    This report provides state regulators, utilities, and other program administrators with an overview of U.S. industrial energy efficiency programs and assesses some of the key features of programs that have generated increased energy savings.

  3. Energy efficiency as a resource in state portfolio standards: Lessons for more expansive policies

    International Nuclear Information System (INIS)

    Thoyre, Autumn

    2015-01-01

    In this paper, state electricity portfolio standards in the U.S. are analyzed to examine how energy efficiency is being created as a particular kind of resource through this type of climate change governance. Such policies can incentivize energy efficiency by requiring or encouraging electricity providers to meet a certain percentage of their demand through energy efficiency measures. North Carolina’s portfolio standard is used as an in-depth case study to identify factors that are then compared across all 36 states that include energy efficiency as part of a portfolio requirement or goal. The main finding of this study is that state portfolio standards tend to emphasize demand-side energy efficiency, or energy efficiency on the customer’s side of the electricity meter, and only rarely incentivize a full range of both demand-side and supply-side efficiency changes. As a result, the amount of energy efficiency and climate change mitigation benefits that are likely to result from this type of portfolio standard policy tool are limited. From this analysis, lessons are drawn out for crafting stronger portfolio standards that incentivize a wider range of efficiency changes across electricity networks. - Highlights: • Energy efficiency in 36 U.S. state portfolio standard policies was analyzed. • Such standards were found to incentivize mainly demand-side energy efficiency. • Supply-side energy efficiency was rarely incentivized by portfolio standards. • Such framings likely limit the carbon mitigation potential of these policies. • Recommendations are made for more expansive portfolio standard policies.

  4. Plasmonics for solid-state lighting : enhanced excitation and directional emission of highly efficient light sources

    NARCIS (Netherlands)

    Lozano, G.; Louwers, Davy J.; Rodriguez, S.R.K.; Murai, S.; Jansen, O.T.A.; Verschuuren, M.A.; Gomez Rivas, J.

    2013-01-01

    Light sources based on reliable and energy-efficient light-emitting diodes (LEDs) are instrumental in the development of solid-state lighting (SSL). Most research efforts in SSL have focused on improving both the intrinsic quantum efficiency (QE) and the stability of light emitters. For this reason,

  5. Spectroscopic parameters, vibrational levels, transition dipole moments and transition probabilities of the 9 low-lying states of the NCl+ cation

    Science.gov (United States)

    Yin, Yuan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2018-03-01

    This work calculates the potential energy curves of 9 Λ-S and 28 Ω states of the NCl+ cation. The technique employed is the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with the Davidson correction. The Λ-S states are X2Π, 12Σ+, 14Π, 14Σ+, 14Σ-, 24Π, 14Δ, 16Σ+, and 16Π, which are yielded from the first two dissociation channels of NCl+ cation. The Ω states are generated from these Λ-S states. The 14Π, 14Δ, 16Σ+, and 16Π states are inverted with the spin-orbit coupling effect included. The 14Σ+, 16Σ+, and 16Π states are very weakly bound, whose well depths are only several-hundred cm- 1. One avoided crossing of PECs occurs between the 12Σ+ and 22Σ+ states. To improve the quality of potential energy curves, core-valence correlation and scalar relativistic corrections are included. The potential energies are extrapolated to the complete basis set limit. The spectroscopic parameters and vibrational levels are calculated. The transition dipole moments are computed. The Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many transitions are determined. The spectroscopic approaches are proposed for observing these states according to the transition probabilities. The spin-orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The spectroscopic parameters, vibrational levels, transition dipole moments, as well as transition probabilities reported in this paper could be considered to be very reliable.

  6. Using a State-and-Transition Approach to Manage Endangered Eucalyptus albens (White Box) Woodlands

    Science.gov (United States)

    Spooner, Peter G.; Allcock, Kimberly G.

    2006-11-01

    Eucalyptus albens (White Box) woodlands are among the most poorly conserved and threatened communities in Australia. Remnants are under further threat from stock grazing, deteriorating soil conditions, weed invasion, and salinity. There is an urgent need to restore degraded White Box and other woodland ecosystems to improve landscape function. However, there is still a poor understanding of the ecology of degraded woodland ecosystems in fragmented agricultural landscapes, and consequently a lack of precise scientific guidelines to manage these ecosystems in a conservation context. State and Transition Models (STMs) have received a great deal of attention, mainly in rangeland applications, as a suitable framework for understanding the ecology of complex ecosystems and to guide management. We have developed a STM for endangered White Box woodlands and discuss the merits of using this approach for land managers of other endangered ecosystems. An STM approach provides a greater understanding of the range of states, transitions, and thresholds possible in an ecosystem, and provides a summary of processes driving the system. Importantly, our proposed STM could be used to clarify the level of “intactness” of degraded White Box woodland sites, and provide the impetus to manage different states in complementary ways, rather than attempting to restore ecosystems to one pristine stable state. We suggest that this approach has considerable potential to integrate researcher and land manager knowledge, focus future experimental studies, and ultimately serve as a decision support tool in setting realistic and achievable conservation and restoration goals.

  7. Efficiency of Health Care Sector at Sub-State Level in India: A Case of Punjab

    Directory of Open Access Journals (Sweden)

    Brijesh C. Purohit

    2009-11-01

    Full Text Available In recent years, WHO and other individual researchers have advocated estimation of health system performance through stochastic frontier models. It provides an idealized yardstick to evaluate economic performance of health system. So far attempts in India have remained focused at state level analysis. This paper attempts a sub-state level analysis for an affluent Indian state, namely Punjab, by using stochastic frontier technique. Our results provide pertinent insight into state health system and facilitate health facility planning at the sub-state level. Carried out in two stages of estimation, our results suggest that life expectancy in the Indian state could be enhanced considerably by correcting the factors that are adversely influencing the sub-state level health system efficiency. A higher budgetary allocation for health manpower is recommended by us to improve efficiency in poorly performing districts. This may be supported by policy initiatives outside the health system by empowering women through better education and work participation.

  8. High-spin states in the transitional odd-odd nuclei 150Eu and 152Tb

    International Nuclear Information System (INIS)

    Barneoud, D.; Foin, C.; Pinston, J.A.; Monnand, E.

    1983-06-01

    The ( 7 Li, 5n) and ( 11 B, 5n) reactions have been used to study the high-spin states in the two odd-odd nuclei 150 Eu and 152 Tb. Three decoupled bands have been evidenced in each nucleus belonging to the same configurations [f 7/2]sub(n) [h 11/2]sub(p), [h 9/2]sub(n) [h 11/2 ]sub(p) and [i 13/2]sub(n) [h 11/2]sub(p). The latter one is well developped and improves our knowledge of this system between the spherical and deformed region. The analysis of the collective moment of inertia and transition ratios strongly suggests an increase of the deformation when the rotational frequency increases in these two transitional nuclei 150 Eu and 152 Tb

  9. Quantum phase transitions in matrix product states of one-dimensional spin-1 chains

    International Nuclear Information System (INIS)

    Zhu Jingmin

    2014-01-01

    We present a new model of quantum phase transitions in matrix product systems of one-dimensional spin-1 chains and study the phases coexistence phenomenon. We find that in the thermodynamic limit the proposed system has three different quantum phases and by adjusting the control parameters we are able to realize any phase, any two phases equal coexistence and the three phases equal coexistence. At every critical point the physical quantities including the entanglement are not discontinuous and the matrix product system has long-range correlation and N-spin maximal entanglement. We believe that our work is helpful for having a comprehensive understanding of quantum phase transitions in matrix product states of one-dimensional spin chains and of certain directive significance to the preparation and control of one-dimensional spin lattice models with stable coherence and N-spin maximal entanglement. (author)

  10. Transition from diamagnetic to ferromagnetic state in laser ablated nitrogen doped ZnO thin films

    Directory of Open Access Journals (Sweden)

    Kajal Jindal

    2015-02-01

    Full Text Available Transition from room temperature diamagnetic to ferromagnetic state in N doped ZnO (ZnO:N films grown by pulsed laser deposition with tunable energy density has been identified. ZnO:N films deposited with moderate laser energy density of 2.5 J/cm2 are single phase and nearly defect free having N dopant substitution at O sites in ZnO lattice, exhibiting intrinsic ferromagnetism. When energy density reduces (<2.5 J/cm2, defects in ZnO:N film degrades ferromagnetism and exhibit diamagnetic phase when grown at energy density of 1.0 J/cm2. Growth kinetics, which in turn depends on laser energy density is playing important role in making transition from ferromagnetic to diamagnetic in ZnO:N films.

  11. Role of entropy and structural parameters in the spin-state transition of LaCoO3

    Science.gov (United States)

    Chakrabarti, Bismayan; Birol, Turan; Haule, Kristjan

    2017-11-01

    The spin-state transition in LaCoO3 has eluded description for decades despite concerted theoretical and experimental effort. In this study, we approach this problem using fully charge self-consistent density functional theory + embedded dynamical mean field theory (DFT+DMFT). We show from first principles that LaCoO3 cannot be described by a single, pure spin state at any temperature. Instead, we observe a gradual change in the population of higher-spin multiplets with increasing temperature, with the high-spin multiplets being excited at the onset of the spin-state transition followed by the intermediate-spin multiplets being excited at the metal-insulator-transition temperature. We explicitly elucidate the critical role of lattice expansion and oxygen octahedral rotations in the spin-state transition. We also reproduce, from first principles, that the spin-state transition and the metal-insulator transition in LaCoO3 occur at different temperature scales. In addition, our results shed light on the importance of electronic entropy in driving the spin-state transition, which has so far been ignored in all first-principles studies of this material.

  12. Causal role of thalamic interneurons on brain state transitions: a study using a neural mass model implementing synaptic kinetics

    Directory of Open Access Journals (Sweden)

    Basabdatta Sen Bhattacharya

    2016-11-01

    Full Text Available Experimental studies on the Lateral Geniculate Nucleus (LGN of mammals and rodents show that the inhibitory interneurons (IN receive around 47.1% of their afferents from the retinal spiking neurons, and constitute around 20 - 25% of the LGN cell population. However, there is a definite gap in knowledge about the role and impact of IN on thalamocortical dynamics in both experimental and model-based research. We use a neural mass computational model of the LGN with three neural populations viz. IN, thalamocortical relay (TCR, thalamic reticular nucleus (TRN, to study the causality of IN on LGN oscillations and state-transitions. The synaptic information transmission in the model is implemented with kinetic modelling, facilitating the linking of low-level cellular attributes with high-level population dynamics. The model is parameterised and tuned to simulate both Local Field Potential (LFP of LGN and electroencephalogram (EEG of visual cortex in an awake resting state with eyes closed and dominant frequency within the alpha (8-13 Hz band. The results show that: First, the response of the TRN is suppressed in the presence of IN in the circuit; disconnecting the IN from the circuit effects a dramatic change in the model output, displaying high amplitude synchronous oscillations within the alpha band in both TCR and TRN. These observations conform to experimental reports implicating the IN as the primary inhibitory modulator of LGN dynamics in a cognitive state, and that reduced cognition is achieved by suppressing the TRN response. Second, the model validates steady state visually evoked potential response in humans corresponding to periodic input stimuli; however, when the IN is disconnected from the circuit, the output power spectra do not reflect the input frequency. This agrees with experimental reports underpinning the role of IN in efficient retino-geniculate information transmission. Third, a smooth transition from alpha to theta band is

  13. Symptoms experienced during menopausal transition: Korean women in South Korea and the United States.

    Science.gov (United States)

    Im, Eun-Ok

    2003-10-01

    This article reports on cultural influences on symptoms experienced during menopausal transition of Korean women in South Korea and Korean immigrant women in the United States. Data from independent studies of two groups of Korean women were triangulated and analyzed using descriptive and inferential statistics. The analysis indicated that Korean women in South Korea tended to report more symptoms than Korean immigrant women in the United States. Types and severity of prevalent symptoms were also found to be different between the two groups. The findings suggest that recent introduction of menopausal industries in South Korea and contextual influences on Korean women's work and immigration in the United States would be the reason for differences. Based on the findings, implications for future research are proposed.

  14. Enhanced Prognostic Model for Lithium Ion Batteries Based on Particle Filter State Transition Model Modification

    Directory of Open Access Journals (Sweden)

    Buddhi Arachchige

    2017-11-01

    Full Text Available This paper focuses on predicting the End of Life and End of Discharge of Lithium ion batteries using a battery capacity fade model and a battery discharge model. The proposed framework will be able to estimate the Remaining Useful Life (RUL and the Remaining charge through capacity fade and discharge models. A particle filter is implemented that estimates the battery’s State of Charge (SOC and State of Life (SOL by utilizing the battery’s physical data such as voltage, temperature, and current measurements. The accuracy of the prognostic framework has been improved by enhancing the particle filter state transition model to incorporate different environmental and loading conditions without retuning the model parameters. The effect of capacity fade in the reduction of the EOD (End of Discharge time with cycling has also been included, integrating both EOL (End of Life and EOD prediction models in order to get more accuracy in the estimations.

  15. Energy Efficiency Policy in the United States: Overview of Trends at Different Levels of Government

    Energy Technology Data Exchange (ETDEWEB)

    Doris, E.; Cochran, J.; Vorum, M.

    2009-12-01

    This report catalogs by sector--buildings, transportation, industrial, and power--energy efficiency policies at the federal, state, and local levels, and identifies some prominent policy trends. Four key findings emerged from this report: 1) leadership on energy efficiency is necessary--and is found--at each level of government; 2) there is no widely accepted methodology for evaluating energy efficiency policies; 3) coordination among the three levels of government--and across sectors--is increasingly important, and there are opportunities to significantly improve policy performance through a unified strategy; and 4) there are efficiencies to be gained by informing policies in one sector with experience from others.

  16. Energy Efficiency Policy in the United States. Overview of Trends at Different Levels of Government

    Energy Technology Data Exchange (ETDEWEB)

    Doris, Elizabeth [National Renewable Energy Lab. (NREL), Golden, CO (United States); Cochran, Jaquelin [National Renewable Energy Lab. (NREL), Golden, CO (United States); Vorum, Martin [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2009-12-01

    This report catalogs by sector--buildings, transportation, industrial, and power--energy efficiency policies at the federal, state, and local levels, and identifies some prominent policy trends. Four key findings emerged from this report: 1) leadership on energy efficiency is necessary--and is found--at each level of government; 2) there is no widely accepted methodology for evaluating energy efficiency policies; 3) coordination among the three levels of government--and across sectors--is increasingly important, and there are opportunities to significantly improve policy performance through a unified strategy; and 4) there are efficiencies to be gained by informing policies in one sector with experience from others.

  17. CONTRIBUTIONS OF MICROFINANCE INSTITUTIONS TO ECONOMIC EFFICIENCY OF CASSAVA FARMERS IN ABIA STATE, NIGERIA

    Directory of Open Access Journals (Sweden)

    Kingsley Chukwuemeka OBIKE

    2014-10-01

    Full Text Available The study examined contributions of microfinance institutions to economic efficiency of cassava farmers in Abia state, Nigeria. A multistage random sampling technique was adopted in collecting cross sectional data on a sample size of 240 respondents (120 MFI beneficiaries and 120 non beneficiaries. Primary Data was collected by administering questionnaire on cassava farmers. The result showed that economic efficiency of MFI beneficiaries was influenced by wage rate, price of fertilizer and adjusted Y (output, while wage rate, price of fertilizer and price of cassava cutting s are variables that influenced economic efficiency of non beneficiaries. The t – test analysis confirmed that MFI beneficiaries had higher economic efficiency advantage compared with non beneficiaries. It is recommended that government agricultural policy should take positive steps to reduce interest rate to encourage MFI efforts in providing the necessary platform to encourage higher efficiency in cassava production in Abia state, Nigeria.

  18. SDF1-CXCR4 Signaling Contributes to the Transition from Acute to Chronic Pain State.

    Science.gov (United States)

    Yang, Fei; Sun, Wei; Luo, Wen-Jun; Yang, Yan; Yang, Fan; Wang, Xiao-Liang; Chen, Jun

    2017-05-01

    Emerging evidence has demonstrated the involvement of stromal cell-derived factor 1 (SDF1, also known as CXCL12)-CXCR4 signaling in a variety of pain state. However, the underlying mechanisms of SDF1-CXCR4 signaling leading to the maintenance of chronic pain states are poorly understood. In the present study, we sought to explore the role of SDF1-CXCR4 signaling in the forming of neuroplasticity by applying a model of the transition from acute to chronic pain state, named as hyperalgesic priming. Utilizing intraplantar bee venom (BV) injection, we successfully established hyperalgesic priming state and found that peripheral treating with AMD3100, a CXCR4 antagonist, or knocking down CXCR4 by intraganglionar CXCR4 small interfering RNA (siRNA) injection could prevent BV-induced primary mechanical hyperalgesia and hyperalgesic priming. Moreover, we showed that single intraplantar active SDF1 protein injection is sufficient to induce acute mechanical hyperalgesia and hyperalgesic priming through CXC4. Intraplantar coinjection of ERK inhibitor, U0126, and PI3K inhibitor, LY294002, as well as two protein translation inhibitors, temsirolimus and cordycepin, prevented the development of SDF1-induced acute mechanical hyperalgesia and hyperalgesic priming. Finally, on the models of complete Freund's adjuvant (CFA)-induced chronic inflammatory pain and spared nerve injury (SNI)-induced chronic neuropathic pain, we observed that knock-down of CXCR4 could both prevent the development and reverse the maintenance of chronic pain state. In conclusion, our present data suggested that through regulating ERK and PI3K-AKT pathways-mediated protein translation SDF1-CXCR4 signaling mediates the transition from acute pain to chronic pain state and finally contributes to the development and maintenance of chronic pain.

  19. Powder keg divisions in the critical state regime: transition from continuous to explosive percolation

    Science.gov (United States)

    Zhou, Zongzheng; Tordesillas, Antoinette

    2017-06-01

    The underlying microstructure and dynamics of a dense granular material as it evolves towards the "critical state", a limit state in which the system deforms with an essentially constant volume and stress ratio, remains widely debated in the micromechanics of granular media community. Strain localization, a common mechanism in the large strain regime, further complicates the characterization of this limit state. Here we revisit the evolution to this limit state within the framework of modern percolation theory. Attention is paid to motion transfer: in this context, percolation translates to the emergence of a large-scale connectivity in graphs that embody information on individual grain displacements. We construct each graph G(r) by connecting nodes, representing the grains, within a distance r in the displacement-state-space. As r increases, we observe a percolation transition on G(r). The size of the jump discontinuity increases in the lead up to failure, indicating that the nature of percolation transition changes from continuous to explosive. We attribute this to the emergence of collective motion, which manifests in increasingly isolated communities in G(r). At the limit state, where the jump discontinuity is highest and invariant across the different unjamming cycles (drops in stress ratio), G(r) encapsulates multiple kinematically distinct communities that are mediated by nodes corresponding to those grains in the shear band. This finding casts light on the dual and opposing roles of the shear band: a mechanism that creates powder keg divisions in the sample, while simultaneously acting as a mechanical link that transfers motion through such subdivisions moving in relative rigid-body motion.

  20. Edge states in the climate system: exploring global instabilities and critical transitions

    Science.gov (United States)

    Lucarini, Valerio; Bódai, Tamás

    2017-07-01

    Multistability is a ubiquitous feature in systems of geophysical relevance and provides key challenges for our ability to predict a system’s response to perturbations. Near critical transitions small causes can lead to large effects and—for all practical purposes—irreversible changes in the properties of the system. As is well known, the Earth climate is multistable: present astronomical and astrophysical conditions support two stable regimes, the warm climate we live in, and a snowball climate characterized by global glaciation. We first provide an overview of methods and ideas relevant for studying the climate response to forcings and focus on the properties of critical transitions in the context of both stochastic and deterministic dynamics, and assess strengths and weaknesses of simplified approaches to the problem. Following an idea developed by Eckhardt and collaborators for the investigation of multistable turbulent fluid dynamical systems, we study the global instability giving rise to the snowball/warm multistability in the climate system by identifying the climatic edge state, a saddle embedded in the boundary between the two basins of attraction of the stable climates. The edge state attracts initial conditions belonging to such a boundary and, while being defined by the deterministic dynamics, is the gate facilitating noise-induced transitions between competing attractors. We use a simplified yet Earth-like intermediate complexity climate model constructed by coupling a primitive equations model of the atmosphere with a simple diffusive ocean. We refer to the climatic edge states as Melancholia states and provide an extensive analysis of their features. We study their dynamics, their symmetry properties, and we follow a complex set of bifurcations. We find situations where the Melancholia state has chaotic dynamics. In these cases, we have that the basin boundary between the two basins of attraction is a strange geometric set with a nearly zero

  1. Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

    Energy Technology Data Exchange (ETDEWEB)

    Biesinger, M C; Payne, B P; McIntryre, N S [Department of Chemistry, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Hart, B R; Lau, L Wm [Surface Science Western, Room G1, Western Science Centre, University of Western Ontario, London, Ontario, N6A 5B7 (Canada); Grosvenor, A P [Department of Chemistry, Gunning/Lemieux Chemistry Centre, University of Alberta, Edmonton, Alberta, T6G 2G2 (Canada); Smart, R StC [ACeSSS, Applied Centre for Structural and Synchrotron Studies, University of South Australia, Mawson Lakes, SA 5095 (Australia)], E-mail: biesingr@uwo.ca

    2008-03-15

    Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available.

  2. Analysis of the chloroplast protein kinase Stt7 during state transitions.

    Directory of Open Access Journals (Sweden)

    Sylvain Lemeille

    2009-03-01

    Full Text Available State transitions allow for the balancing of the light excitation energy between photosystem I and photosystem II and for optimal photosynthetic activity when photosynthetic organisms are subjected to changing light conditions. This process is regulated by the redox state of the plastoquinone pool through the Stt7/STN7 protein kinase required for phosphorylation of the light-harvesting complex LHCII and for the reversible displacement of the mobile LHCII between the photosystems. We show that Stt7 is associated with photosynthetic complexes including LHCII, photosystem I, and the cytochrome b6f complex. Our data reveal that Stt7 acts in catalytic amounts. We also provide evidence that Stt7 contains a transmembrane region that separates its catalytic kinase domain on the stromal side from its N-terminal end in the thylakoid lumen with two conserved Cys that are critical for its activity and state transitions. On the basis of these data, we propose that the activity of Stt7 is regulated through its transmembrane domain and that a disulfide bond between the two lumen Cys is essential for its activity. The high-light-induced reduction of this bond may occur through a transthylakoid thiol-reducing pathway driven by the ferredoxin-thioredoxin system which is also required for cytochrome b6f assembly and heme biogenesis.

  3. Quantitative chemical state XPS analysis of first row transition metals, oxides and hydroxides

    International Nuclear Information System (INIS)

    Biesinger, M C; Payne, B P; McIntryre, N S; Hart, B R; Lau, L Wm; Grosvenor, A P; Smart, R StC

    2008-01-01

    Practical quantitative chemical state X-ray photoelectron spectroscopy (XPS) analysis of first row transition metals, oxides and hydroxides is challenging due to the complexity of their M 2p spectra. Complex multiplet splitting, shake-up and plasmon loss structure can play a role in the interpretation of the chemical states present. This paper will show practical curve fitting procedures for the quantitative measurement of different chemical states for metal oxides and hydroxides from a survey of transition metals. It will also discuss some of the limitations and pitfalls present as well as give practical examples of their successful use. These curve-fitting procedures are based on 1) standard spectra from quality reference samples, 2) a survey of appropriate literature databases and/or a compilation of literature references, 3) fitting of multiplet split spectra based on spectra of numerous reference materials and theoretical modelling, 4) spectral subtractions routines, again using reference spectra, and 5) specific literature references where fitting procedures are available

  4. Variational transition-state theory. Progress report, February 1981-January 1983

    International Nuclear Information System (INIS)

    Truhlar, D.G.

    1983-01-01

    During the past two years we have extended the variational transition-state theory in several ways. Especially notable is that we have developed several new methods for calculating tunneling probabilities, including two general techniques applicable to systems with small and large reaction-path curvature. We have tested these methods successfully against accurate quantal calculations, and we have applied them to real systems in three dimensions. We have also developed general algorithms for variational transition state theory calculations on polyatomic systems and we have applied these to the combustion reaction OH + H 2 → H 2 O + H. We have developed and successfully applied a statistical-diabatic theory for state-selected rates. We made a totally ab initio prediction of an absolute chemical reaction rate, for the reaction Mu + H 2 → MuH + H, using an accurate potential energy surface and ethods that we had demonstrated to be reliable by tests against accurate quantal collinear results. This prediction has now been confirmed by unpublished experiments; I believe that this is the first reliable ab initio prediction of a chemical rection rate prior to its measurement. In the rest of this technical progress report we give further details of these and other studies we have carried out in the last two years under this contract

  5. Dynamics of Number of Packets in Transit in Free Flow State of Data Network

    International Nuclear Information System (INIS)

    Shengkun Xie; Lawniczak, A.T.

    2011-01-01

    We study how the dynamics of Number of Packets in Transit (NPT) is affected by the coupling of a routing type with a volume of incoming packet traffic in a data network model of packet switching type. The NPT is a network performance indicator of an aggregate type that measures in '' real time '', how many packets are in the network on their routes to their destinations. We conduct our investigation using a time-discrete simulation model that is an abstraction of the Network Layer of the ISO OSI Seven Layer Reference Model. This model focuses on packets and their routing. We consider a static routing and two different types of dynamic routings coupled with different volumes of incoming packet traffic in the network free flow state. Our study shows that the order of the values of the NPT mean value time series depends on the coupling of a routing type with a volume of incoming packet traffic and changes when the volume of incoming packet traffic increases and is closed to the critical source load values, i.e. when it is closed to the phase transition points from the network free flow state to its congested states. (authors)

  6. Four Generations of Transition State Analogues for Human Purine Nucleoside Phosphorylase

    Energy Technology Data Exchange (ETDEWEB)

    Ho, M.; Shi, W; Rinaldo-Mathis, A; Tyler, P; Evans, G; Almo, S; Schramm, V

    2010-01-01

    Inhibition of human purine nucleoside phosphorylase (PNP) stops growth of activated T-cells and the formation of 6-oxypurine bases, making it a target for leukemia, autoimmune disorders, and gout. Four generations of ribocation transition-state mimics bound to PNP are structurally characterized. Immucillin-H (K*{sub i} = 58 pM, first-generation) contains an iminoribitol cation with four asymmetric carbons. DADMe-Immucillin-H (K*{sub i} = 9 pM, second-generation), uses a methylene-bridged dihydroxypyrrolidine cation with two asymmetric centers. DATMe-Immucillin-H (K*{sub i} = 9 pM, third-generation) contains an open-chain amino alcohol cation with two asymmetric carbons. SerMe-ImmH (K*{sub i} = 5 pM, fourth-generation) uses achiral dihydroxyaminoalcohol seramide as the ribocation mimic. Crystal structures of PNPs establish features of tight binding to be; (1) ion-pair formation between bound phosphate (or its mimic) and inhibitor cation, (2) leaving-group interactions to N1, O6, and N7 of 9-deazahypoxanthine, (3) interaction between phosphate and inhibitor hydroxyl groups, and (4) His257 interacting with the 5{prime}-hydroxyl group. The first generation analogue is an imperfect fit to the catalytic site with a long ion pair distance between the iminoribitol and bound phosphate and weaker interactions to the leaving group. Increasing the ribocation to leaving-group distance in the second- to fourth-generation analogues provides powerful binding interactions and a facile synthetic route to powerful inhibitors. Despite chemical diversity in the four generations of transition-state analogues, the catalytic site geometry is almost the same for all analogues. Multiple solutions in transition-state analogue design are available to convert the energy of catalytic rate enhancement to binding energy in human PNP.

  7. Study of the strength distribution of primary γ-transitions in the decay from superdeformed states in 194Hg

    International Nuclear Information System (INIS)

    Lopez-Martens, A.P.; Doessing, T.; Khoo, T.L.; Korichi, A.; Hannachi, F.; Calderin, I.J.; Lauritsen, T.; Ahmad, I.; Carpenter, M.P.; Fischer, S.M.; Hackman, G.; Janssens, R.V.F.; Nisius, D.; Reiter, P.; Amro, H.; Moore, E.F.

    1999-01-01

    The strength distribution of the primary γ rays in the decay from superdeformed (SD) states is investigated by applying the maximum likelihood method. For the 194 Hg nucleus, 41 primary transitions are identified above 2600 keV. It is concluded that they represent the strongest 10% of the transitions selected stochastically from a Porter-Thomas distribution. This would support the scenario of a statistical decay of SD states via coupling to a compound state at normal deformation. However, the occurrence of several very strong 'one-step linking' transitions is found to have a very small probability. Based on the absence of strong primary transitions from SD states in adjacent nuclei, the situation in 194 Hg is viewed as a very lucky incidence

  8. Are boat transition states likely to occur in Cope rearrangements? A DFT study of the biogenesis of germacranes

    Directory of Open Access Journals (Sweden)

    José Enrique Barquera-Lozada

    2017-09-01

    Full Text Available It has been proposed that elemanes are biogenetically formed from germacranes by Cope sigmatropic rearrangements. Normally, this reaction proceeds through a transition state with a chair conformation. However, the transformation of schkuhriolide (germacrane into elemanschkuhriolide (elemane may occur through a boat transition state due to the final configuration of the elemanschkuhriolide, but this transition state is questionable due to its high energy. The possible mechanisms of this transformation were studied in the density functional theory frame. The mechanistic differences between the transformation of (Z,E-germacranes and (E,E-germacranes were also studied. We found that (Z,E-germacranolides are significantly more stable than (E,E-germacranolides and elemanolides. In the specific case of schkuhriolide, even when the boat transition state is not energetically favored, a previous hemiacetalization lowers enough the energetic barrier to allow the formation of a very stable elemanolide that is even more stable than its (Z,E-germacrane.

  9. Efficient entanglement purification for polarization logic Bell state with the photonic Faraday rotation

    OpenAIRE

    Zhou, Lan; Sheng, Yu-Bo

    2016-01-01

    Logic-qubit entanglement is a promising resource in quantum information processing, especially in future large-scale quantum networks. In the paper, we put forward an efficient entanglement purification protocol (EPP) for nonlocal mixed logic entangled states with the bit-flip error in the logic qubits of the logic Bell state, resorting to the photon-atom interaction in low-quality (Q) cavity and atomic state measurement. Different from existing EPPs, this protocol can also purify the logic p...

  10. Does transitioning from computed radiography (CR) to direct radiography (DR) with portable imaging systems affect workflow efficiency?

    Science.gov (United States)

    Gali, Raja L.; Roth, Christopher G.; Smith, Elizabeth; Dave, Jaydev K.

    2018-03-01

    In digital radiography, computed radiography (CR) technology is based on latent image capture by storage phosphors whereas direct radiography (DR) technology is based either on indirect conversion using a scintillator or direct conversion using a photoconductor. DR-based portable imaging systems may enhance workflow efficiency. The purpose of this work was to investigate changes in workflow efficiency at a tertiary healthcare center after transitioning from CR to DR technology for imaging with portable x-ray units. An IRB exemption was obtained. Data for all inpatient-radiographs acquired with portable x-ray units from July-2014 till June-2015 (period 1) with CR technology (AMX4 or AMX4+ portable unit from GE Healthcare, NX workstation from Agfa Healthcare for digitization), from July-2015 till June-2016 (period 2) with DR technology (Carestream DRX-Revolution x-ray units and DRX-1C image receptors) and from July-2016 till January-2017 (period 3; same DR technology) were extracted using Centricity RIS-IC (GE Healthcare). Duration between the imaging-examination scheduled time and completed time (timesch-com) was calculated and compared using non-parametric tests (between the three time periods with corrections for multiple comparisons; three time periods were used to identify if there were any other potential temporal trends not related to transitioning from CR to DR). IBM's SPSS package was used for statistical analysis. Overall data was obtained from 33131, 32194, and 18015 cases in periods 1, 2 and 3, respectively. Independent-Samples Kruskal-Wallis test revealed a statistically significant difference in timesch-com across the three time periods (χ2(2, n= 83,340) = 2053, p < 0.001). The timesch-com was highest for period 1 i.e., radiographs acquired with CR technology (median: 64 minutes) and it decreased significantly for radiographs acquired with DR technology in periods 2 (median: 49 minutes; p < 0.001) and 3 (median∶ 44 minutes; p < 0.001). Overall

  11. Experimental and theoretical examples of the value and limitations of transition state theory

    International Nuclear Information System (INIS)

    Golden, D.M.

    1979-01-01

    Value and limitations of transition-state theory (TST) are reviewed. TST analyses of the temperature dependence of the ''direct'' reactions CH 3 + CH 3 CHO → CH 4 + CH 3 CO (1) and O + CH 4 → OH + CH 3 (2) are presented in detail, and other examples of TST usefulness are recalled. Limitations are discussed for bimolecular processes in terms of ''complex'' vs ''direct'' mechanisms. The reaction OH + CO → CO 2 + H is discussed in this context. Limitations for unimolecular processes seem to arise only for simple bond fission processes, and recent advances are noted. 2 figures, 5 tables

  12. Spin-State Transition in La1-xSrxCoO3 Single Crystals

    Science.gov (United States)

    Bhardwaj, S.; Prabhakaran, D.; Awasthi, A. M.

    2011-07-01

    We present a study of the thermal conductivity (κ), specific heat (Cp) and Raman spectra of La1-xSrxCoO3 (x = 0,0.1) single crystals. Both the specimens have low thermal conductivity and board Raman peaks, arising from strong scattering of phonons by lattice disorder, produced by (and doping-enhanced) spin-states admixture of the Co3+ ions. The thermal conductivity anomalously deviates from ˜1/T behaviour at high (room) temperatures, expected of an insulator. High-temperature specific heat reveals large decrease in the metal-insulator (M-I) transition temperature with Sr-doping.

  13. Transition probabilities of 36Cl and 36Ar excited states in heavy ion reactions

    International Nuclear Information System (INIS)

    Costa, G.J.; Alexander, T.K.; Forster, J.S.; McDonald, A.B.; Towner, I.S.

    The reactions 2 H( 35 Cl,pγ) and 2 H( 35 Cl,nγ) have been used to determine by the recoil-distance method, the lifetimes of levels in 36 Cl and 36 Ar respectively. Large discrepancies exist in the literature for some lifetimes of 36 Cl levels. Transition rates found for decay of the negative parity states in 36 Ar (4178 (3 - ), 4974 (2 - ) and 5171 (5 - ) keV), are compared whith the Maripuu-Hokken model and RPA and TDA predictions [fr

  14. Density induced phase transitions in the Schwinger model. A study with matrix product states

    Energy Technology Data Exchange (ETDEWEB)

    Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, Krzysztof [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2017-02-15

    We numerically study the zero temperature phase structure of the multiflavor Schwinger model at nonzero chemical potential. Using matrix product states, we reproduce analytical results for the phase structure for two flavors in the massless case and extend the computation to the massive case, where no analytical predictions are available. Our calculations allow us to locate phase transitions in the mass-chemical potential plane with great precision and provide a concrete example of tensor networks overcoming the sign problem in a lattice gauge theory calculation.

  15. Stress-induced state transitions in flexible liquid-crystal devices

    International Nuclear Information System (INIS)

    Ho, I-Lin; Chang, Yia-Chung

    2012-01-01

    This work studies the stress-strain dynamics for the transient optoelectronic characteristics of flexible liquid-crystal (LC) devices. Due to the fast response of LC directors, the configuration of the LC is assumed to be in quasi-equilibrium during the process of elastic deformations of the flexible structures. The LC medium hence can be treated effectively as a thin-film layer and can approximately follow the strain-stress mechanism in the solids. Relevant theoretical algorithms are studied in this work, and numerical results present the stress-induced state transitions in the π cell.

  16. The transition between monostable and bistable states induced by time delay in intracellular calcium oscillation

    International Nuclear Information System (INIS)

    Duan, Wei-Long

    2013-01-01

    The revised role of the time delay of active processes with colored noises of transmission of intracellular Ca 2+ in intracellular calcium oscillation (ICO) is investigated by means of a first-order algorithm based on stochastic simulation. The simulation results indicate that time delay induces a double critical phenomenon and a transition between the monostable and bistable states of the ICO system. In addition, as the time delay increases, for a cytosolic Ca 2+ concentration with weak colored noises there appears a calcium burst, and the Ca 2+ concentration of the calcium store shows nonmonotonic variation. (paper)

  17. Experimental and theoretical examples of the value and limitations of transition state theory

    Science.gov (United States)

    Golden, D. M.

    1979-01-01

    Value and limitations of transition-state theory (TST) are reviewed. TST analyses of the temperature dependence of the 'direct' reactions CH3 + CH3CHO yields CH4 + CH3CO(1) and O + CH4 yields OH + CH3(2) are presented in detail, and other examples of TST usefulness are recalled. Limitations are discussed for bimolecular processes in terms of 'complex' vs. 'direct' mechanisms. The reaction OH + CO yields CO2 + H is discussed in this context. Limitations for unimolecular processes seem to arise only for simple bond fission processes, and recent advances are noted.

  18. Variational transition state theory for multidimensional activated rate processes in the presence of anisotropic friction

    Science.gov (United States)

    Berezhkovskii, Alexander M.; Frishman, Anatoli M.; Pollak, Eli

    1994-09-01

    Variational transition state theory (VTST) is applied to the study of the activated escape of a particle trapped in a multidimensional potential well and coupled to a heat bath. Special attention is given to the dependence of the rate constant on the friction coefficients in the case of anisotropic friction. It is demonstrated explicitly that both the traditional as well as the nontraditional scenarios for the particle escape are recovered uniformly within the framework of VTST. Effects such as saddle point avoidance and friction dependence of the activation energy are derived from VTST using optimized planar dividing surfaces.

  19. Specific features of cavitation phenomena during transition of nitrogen tetroxide and nitrine into metastable state

    International Nuclear Information System (INIS)

    Ermashkevich, V.N.

    1981-01-01

    Some cases of nitrogen tetroxide and nitrine (the nitrogen tetroxide and nitrogen oxide mixture) transition into the metastable state are considered. The influence of some technological processes and NPP control operations on spontaneous superheated liquid boiling in the pipelines and at pump inlet as well as that of the produced gas-liquid mixture on the pump cavitational stoppage are pointed out. It is shown that in the case of eliminating the spontaneous liquid boiling cause, the pump restores its parameters to their original quantities [ru

  20. Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility.

    Science.gov (United States)

    Jain, Amber; Herman, Michael F; Ouyang, Wenjun; Subotnik, Joseph E

    2015-10-07

    We provide an in-depth investigation of transmission coefficients as computed using the augmented-fewest switches surface hopping algorithm in the low energy regime. Empirically, microscopic reversibility is shown to hold approximately. Furthermore, we show that, in some circumstances, including decoherence on top of surface hopping calculations can help recover (as opposed to destroy) oscillations in the transmission coefficient as a function of energy; these oscillations can be studied analytically with semiclassical scattering theory. Finally, in the spirit of transition state theory, we also show that transmission coefficients can be calculated rather accurately starting from the curve crossing point and running trajectories forwards and backwards.

  1. The Welfare to Work Transition in the United States: Implications for Work-Related Learning

    Science.gov (United States)

    Fisher, James C.; Martin, Larry G.

    2000-11-01

    This paper summarizes the legislation upon which the current welfare-to-work transition in the United States is based and describes characteristics of the former welfare population from which various tiers of employment options have emerged: unsubsidized-employed workers, subsidized-employed workers, subsidized-unemployed recipients, and unsubsidized-unemployed individuals. It also discusses current program emphases, and presents a format for directions for future program development which includes academic programs, situated cognition programs, integrated literacy/occupational skills programs, and integrated literacy/soft skills training.

  2. Core-state models for fuel management of equilibrium and transition cycles in pressurized water reactors

    International Nuclear Information System (INIS)

    Aragones, J.M.; Martinez-Val, J.M.; Corella, M.R.

    1977-01-01

    Fuel management requires that mass, energy, and reactivity balance be satisfied in each reload cycle. Procedures for selection of alternatives, core-state models, and fuel cost calculations have been developed for both equilibrium and transition cycles. Effective cycle lengths and fuel cycle variables--namely, reload batch size, schedule of incore residence for the fuel, feed enrichments, energy sharing cycle by cycle, and discharge burnup and isotopics--are the variables being considered for fuel management planning with a given energy generation plan, fuel design, recycling strategy, and financial assumptions

  3. Efficient scheme for three-photon Greenberger–Horne–Zeilinger state generation

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Dong [College of Physics Science and Information Engineering, Hebei Normal University, Shijiazhuang, 050024 (China); Department of Basic Curriculum, North China Institute of Science and Technology, Beijing, 101601 (China); Yan, Feng-Li, E-mail: flyan@hebtu.edu.cn [College of Physics Science and Information Engineering, Hebei Normal University, Shijiazhuang, 050024 (China)

    2013-06-17

    We propose an efficient scheme for the generation of three-photon Greenberger–Horne–Zeilinger (GHZ) state with linear optics, nonlinear optics and postselection. Several devices are designed and a two-mode quantum nondemolition detection is introduced to obtain the desired state. It is worth noting that the states which have entanglement in both polarization and spatial degrees of freedom are created in one of the designed setups. The method described in the present scheme can create a large number of three-photon GHZ states in principle. We also discuss an approach to generate the desired GHZ state in the presence of channel noise.

  4. Efficient scheme for three-photon Greenberger–Horne–Zeilinger state generation

    International Nuclear Information System (INIS)

    Ding, Dong; Yan, Feng-Li

    2013-01-01

    We propose an efficient scheme for the generation of three-photon Greenberger–Horne–Zeilinger (GHZ) state with linear optics, nonlinear optics and postselection. Several devices are designed and a two-mode quantum nondemolition detection is introduced to obtain the desired state. It is worth noting that the states which have entanglement in both polarization and spatial degrees of freedom are created in one of the designed setups. The method described in the present scheme can create a large number of three-photon GHZ states in principle. We also discuss an approach to generate the desired GHZ state in the presence of channel noise.

  5. Response to work transitions by United States Army personnel: effects of self-esteem, self-efficacy, and career resilience.

    Science.gov (United States)

    Gowan, M A; Craft, S L; Zimmermann, R A

    2000-06-01

    This paper examined association of self-esteem, self-efficacy, and career resilience with the responses of 171 United States Army personnel making the transition to civilian jobs. Specifically, the study addresses whether personality traits are related to the appraisal of the transition from Army to civilian life and to how individuals plan to manage the transition to yield employment success. Self-esteem, self-efficacy, and career resilience were the personality variables examined. Only self-esteem and career resilience were related to harm appraisals of the transition. None of the personality variables were related to use of coping strategies. Limitations of the study and suggestions for research are provided.

  6. MRCI study on the spectroscopic parameters, transition dipole moments and transition probabilities of 16 low-lying states of the BeB radical

    Science.gov (United States)

    Zhou, Dan; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2018-03-01

    In this work, we calculate the potential energy curves of 16 Λ-S and 36 Ω states of beryllium boride (BeB) radical using the complete active space self-consistent field method, followed by the valence internally contracted multireference configuration interaction approach with Davidson correction. The 16 Λ-S states are the X2Π, A2Σ+, B2Π, C2Δ, D2Ʃ-, E2Σ+, G2Π, I2Σ+, a4Σ-, b4Π, c4Σ-, d4Δ, e4Σ+, g4Π, h4Π, and 24Σ+, which are obtained from the first three dissociation channels of the BeB radical. The Ω states are obtained from the Λ-S states. Of the Λ-S states, the G2Π, I2Σ+, and h4Π states exhibit double well curves. The G2Π, b4Π, and g4Π states are inverted with the spin-orbit coupling effect included. The d4Δ, e4Σ+, and g4Π states as well as the second well of the h4Π state are very weakly bound. Avoided crossings exist between the G2Π and H2Π states, the A2Σ+ and E2Σ+ states, the c4Σ- and f4Σ- states, the g4Π and h4Π states, the I2Σ+ and 42Σ+ states, as well as the 24Σ+ and 34Σ+ states. To improve the quality of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of the potential energies to the complete basis set limit, are included. The transition dipole moments are computed. Spectroscopic parameters and vibrational levels are determined along with Franck-Condon factors, Einstein coefficients, and radiative lifetimes of many electronic transitions. The transition probabilities are evaluated. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is discussed. The spectroscopic parameters, vibrational levels, and transition probabilities reported in this paper can be considered very reliable and can be employed to predict these states in an appropriate spectroscopy experiment.

  7. Coupled superconducting qudit-resonator system: Energy spectrum, state population, and state transition under microwave drive

    Science.gov (United States)

    Liu, W. Y.; Xu, H. K.; Su, F. F.; Li, Z. Y.; Tian, Ye; Han, Siyuan; Zhao, S. P.

    2018-03-01

    Superconducting quantum multilevel systems coupled to resonators have recently been considered in some applications such as microwave lasing and high-fidelity quantum logical gates. In this work, using an rf-SQUID type phase qudit coupled to a microwave coplanar waveguide resonator, we study both theoretically and experimentally the energy spectrum of the system when the qudit level spacings are varied around the resonator frequency by changing the magnetic flux applied to the qudit loop. We show that the experimental result can be well described by a theoretical model that extends from the usual two-level Jaynes-Cummings system to the present four-level system. It is also shown that due to the small anharmonicity of the phase device a simplified model capturing the leading state interactions fits the experimental spectra very well. Furthermore we use the Lindblad master equation containing various relaxation and dephasing processes to calculate the level populations in the simpler qutrit-resonator system, which allows a clear understanding of the dynamics of the system under the microwave drive. Our results help to better understand and perform the experiments of coupled multilevel and resonator systems and can be applied in the case of transmon or Xmon qudits having similar anharmonicity to the present phase device.

  8. Powder keg divisions in the critical state regime: transition from continuous to explosive percolation

    Directory of Open Access Journals (Sweden)

    Zhou Zongzheng

    2017-01-01

    Full Text Available The underlying microstructure and dynamics of a dense granular material as it evolves towards the “critical state”, a limit state in which the system deforms with an essentially constant volume and stress ratio, remains widely debated in the micromechanics of granular media community. Strain localization, a common mechanism in the large strain regime, further complicates the characterization of this limit state. Here we revisit the evolution to this limit state within the framework of modern percolation theory. Attention is paid to motion transfer: in this context, percolation translates to the emergence of a large-scale connectivity in graphs that embody information on individual grain displacements. We construct each graph G(r by connecting nodes, representing the grains, within a distance r in the displacement-state-space. As r increases, we observe a percolation transition on G(r. The size of the jump discontinuity increases in the lead up to failure, indicating that the nature of percolation transition changes from continuous to explosive. We attribute this to the emergence of collective motion, which manifests in increasingly isolated communities in G(r. At the limit state, where the jump discontinuity is highest and invariant across the different unjamming cycles (drops in stress ratio, G(r encapsulates multiple kinematically distinct communities that are mediated by nodes corresponding to those grains in the shear band. This finding casts light on the dual and opposing roles of the shear band: a mechanism that creates powder keg divisions in the sample, while simultaneously acting as a mechanical link that transfers motion through such subdivisions moving in relative rigid-body motion.

  9. A hyperactive transcriptional state marks genome reactivation at the mitosis–G1 transition

    Science.gov (United States)

    Hsiung, Chris C.-S.; Bartman, Caroline R.; Huang, Peng; Ginart, Paul; Stonestrom, Aaron J.; Keller, Cheryl A.; Face, Carolyne; Jahn, Kristen S.; Evans, Perry; Sankaranarayanan, Laavanya; Giardine, Belinda; Hardison, Ross C.; Raj, Arjun; Blobel, Gerd A.

    2016-01-01

    During mitosis, RNA polymerase II (Pol II) and many transcription factors dissociate from chromatin, and transcription ceases globally. Transcription is known to restart in bulk by telophase, but whether de novo transcription at the mitosis–G1 transition is in any way distinct from later in interphase remains unknown. We tracked Pol II occupancy genome-wide in mammalian cells progressing from mitosis through late G1. Unexpectedly, during the earliest rounds of transcription at the mitosis–G1 transition, ∼50% of active genes and distal enhancers exhibit a spike in transcription, exceeding levels observed later in G1 phase. Enhancer–promoter chromatin contacts are depleted during mitosis and restored rapidly upon G1 entry but do not spike. Of the chromatin-associated features examined, histone H3 Lys27 acetylation levels at individual loci in mitosis best predict the mitosis–G1 transcriptional spike. Single-molecule RNA imaging supports that the mitosis–G1 transcriptional spike can constitute the maximum transcriptional activity per DNA copy throughout the cell division cycle. The transcriptional spike occurs heterogeneously and propagates to cell-to-cell differences in mature mRNA expression. Our results raise the possibility that passage through the mitosis–G1 transition might predispose cells to diverge in gene expression states. PMID:27340175

  10. A hyperactive transcriptional state marks genome reactivation at the mitosis-G1 transition.

    Science.gov (United States)

    Hsiung, Chris C-S; Bartman, Caroline R; Huang, Peng; Ginart, Paul; Stonestrom, Aaron J; Keller, Cheryl A; Face, Carolyne; Jahn, Kristen S; Evans, Perry; Sankaranarayanan, Laavanya; Giardine, Belinda; Hardison, Ross C; Raj, Arjun; Blobel, Gerd A

    2016-06-15

    During mitosis, RNA polymerase II (Pol II) and many transcription factors dissociate from chromatin, and transcription ceases globally. Transcription is known to restart in bulk by telophase, but whether de novo transcription at the mitosis-G1 transition is in any way distinct from later in interphase remains unknown. We tracked Pol II occupancy genome-wide in mammalian cells progressing from mitosis through late G1. Unexpectedly, during the earliest rounds of transcription at the mitosis-G1 transition, ∼50% of active genes and distal enhancers exhibit a spike in transcription, exceeding levels observed later in G1 phase. Enhancer-promoter chromatin contacts are depleted during mitosis and restored rapidly upon G1 entry but do not spike. Of the chromatin-associated features examined, histone H3 Lys27 acetylation levels at individual loci in mitosis best predict the mitosis-G1 transcriptional spike. Single-molecule RNA imaging supports that the mitosis-G1 transcriptional spike can constitute the maximum transcriptional activity per DNA copy throughout the cell division cycle. The transcriptional spike occurs heterogeneously and propagates to cell-to-cell differences in mature mRNA expression. Our results raise the possibility that passage through the mitosis-G1 transition might predispose cells to diverge in gene expression states. © 2016 Hsiung et al.; Published by Cold Spring Harbor Laboratory Press.

  11. Cell-State Transitions Regulated by SLUG Are Critical for Tissue Regeneration and Tumor Initiation

    Directory of Open Access Journals (Sweden)

    Sarah Phillips

    2014-05-01

    Full Text Available Perturbations in stem cell activity and differentiation can lead to developmental defects and cancer. We use an approach involving a quantitative model of cell-state transitions in vitro to gain insights into how SLUG/SNAI2, a key developmental transcription factor, modulates mammary epithelial stem cell activity and differentiation in vivo. In the absence of SLUG, stem cells fail to transition into basal progenitor cells, while existing basal progenitor cells undergo luminal differentiation; together, these changes result in abnormal mammary architecture and defects in tissue function. Furthermore, we show that in the absence of SLUG, mammary stem cell activity necessary for tissue regeneration and cancer initiation is lost. Mechanistically, SLUG regulates differentiation and cellular plasticity by recruiting the chromatin modifier lysine-specific demethylase 1 (LSD1 to promoters of lineage-specific genes to repress transcription. Together, these results demonstrate that SLUG plays a dual role in repressing luminal epithelial differentiation while unlocking stem cell transitions necessary for tumorigenesis.

  12. Incorporating energy efficiency into electric power transmission planning: A western United States case study

    International Nuclear Information System (INIS)

    Barbose, Galen L.; Sanstad, Alan H.; Goldman, Charles A.

    2014-01-01

    Driven by system reliability goals and the need to integrate significantly increased renewable power generation, long-range, bulk-power transmission planning processes in the United States are undergoing major changes. At the same time, energy efficiency is an increasing share of the electricity resource mix in many regions, and has become a centerpiece of many utility resource plans and state policies as a means of meeting electricity demand, complementing supply-side sources, and reducing carbon dioxide emissions from the electric power system. The paper describes an innovative project in the western United States to explicitly incorporate end-use efficiency into load forecasts – projections of electricity consumption and demand – that are a critical input into transmission planning and transmission planning studies. Institutional and regulatory background and context are reviewed, along with a detailed discussion of data sources and analytical procedures used to integrate efficiency into load forecasts. The analysis is intended as a practical example to illustrate the kinds of technical and institutional issues that must be addressed in order to incorporate energy efficiency into regional transmission planning activities. - Highlights: • Incorporating energy efficiency into electric power transmission planning is an emergent analytical and policy priority. • A new methodology for this purpose was developed and applied in the western U.S. transmission system. • Efficiency scenarios were created and incorporated into multiple load forecasts. • Aggressive deployment of efficiency policies and programs can significantly reduce projected load. • The approach is broadly applicable in long-range transmission planning

  13. The nuclear industry's transition to risk-informed regulation and operation in the United States

    International Nuclear Information System (INIS)

    Kadak, Andrew C.; Matsuo, Toshihiro

    2007-01-01

    This paper summarizes a study of the transition of the United States nuclear industry from a prescriptive regulatory structure to a more risk informed approach to operations and regulations. The transition occurred over a 20 yr period in which gradual changes were made in the fundamental regulations and to the approach to nuclear safety and operations. While the number of actual regulatory changes were few, they are continuing. The utilities that embraced risk informed operations made dramatic changes in the way they approached operations and outage management. Those utilities that used risk in operations showed dramatic improvement in safety based on Institute of Nuclear Power Operations (INPO) performance indicators. It was also shown that the use of risk did not negatively affect safety performance of the plants compared to standard prescriptive approaches. This was despite having greater flexibility in compliance to regulatory standards and the use of the newly instituted risk-informed reactor oversight process. Key factors affecting the successful transition to a more risk-informed approach to regulations and operations are: strong top management support and leadership both at the regulator and the utility; education and training in risk principles and probabilistic risk Assessment tools for engineers, operators and maintenance staff; a slow and steady introduction of risk initiatives in areas that can show value to both the regulator and the industry; a transparent regulatory foundation built around a safety goal policy and the development of a strong safety culture at the utility to allow for more independence in safety compliance and risk management. The experience of the United States shows positive results in both safety and economics. The INPO and NRC metrics presented show that the use of risk information in operations and regulation is marginally better with no degradation in safety when plants that have embraced risk-informed approaches are compared

  14. Counting efficiencies by liquid scintillation counting. Single isomeric transitions; Eficiencia de recuento por centelleo liquido. Transiciones isomericas simples

    Energy Technology Data Exchange (ETDEWEB)

    Grau Carles, A.; Grau Malonda, A.

    1995-07-01

    In this work we present liquid scintillation counting efficiency tables for several radionuclides with single isomeric transitions, in which electron conversion and gamma emission processes are competitive. We study the radionuclides: 58mCo, 77mSe, 79mBr, 87mSr, S9mY, 93mNb, 103mRh, 107mAg, 109mAg, 113mIn, 131mXe, I33mXe, 135raBa, 137mBa, 167raEr, for two different scintillators, Ultima-Gold and Insta-Gel. We consider volumes of 10 and 15 mL for Ultima Gold, and 15 mL for Insta-Gel. (Author) 18 refs.

  15. Myocardial blood flow and its transit time, oxygen utilization, and efficiency of highly endurance-trained human heart.

    Science.gov (United States)

    Heinonen, Ilkka; Kudomi, Nobuyuki; Kemppainen, Jukka; Kiviniemi, Antti; Noponen, Tommi; Luotolahti, Matti; Luoto, Pauliina; Oikonen, Vesa; Sipilä, Hannu T; Kopra, Jaakko; Mononen, Ilkka; Duncker, Dirk J; Knuuti, Juhani; Kalliokoski, Kari K

    2014-07-01

    Highly endurance-trained athlete's heart represents the most extreme form of cardiac adaptation to physical stress, but its circulatory alterations remain obscure. In the present study, myocardial blood flow (MBF), blood mean transit time (MTT), oxygen extraction fraction (OEF) and consumption (MVO2), and efficiency of cardiac work were quantified in highly trained male endurance athletes and control subjects at rest and during supine cycling exercise using [(15)O]-labeled radiotracers and positron emission tomography. Heart rate and MBF were lower in athletes both at rest and during exercise. OEF increased in response to exercise in both groups, but was higher in athletes (70 ± 21 vs. 63 ± 11 % at rest and 86 ± 13 vs. 73 ± 10 % during exercise). MTT was longer and vascular resistance higher in athletes both at rest and during exercise, but arterial content of 2,3-diphosphoglycerate (oxygen affinity) was unchanged. MVO2 per gram of myocardium trended (p = 0.08) lower in athletes both at rest and during exercise, while myocardial efficiency of work and MVO2 per beat were not different between groups. Arterial levels of free fatty acids were ~twofold higher in athletes likely leading to higher myocardial fatty acid oxidation and hence oxygen cost, which may have blunted the bradycardia-induced decrease in MVO2. Finally, the observed group differences in MBF, OEF, MTT and vascular resistance remained significant also after they were controlled for differences in MVO2. In conclusion, in highly endurance-trained human heart, increased myocardial blood transition time enables higher oxygen extraction levels with a lower myocardial blood flow and higher vascular resistance. These physiological adaptations to exercise training occur independently of the level of oxygen consumption and together with training-induced bradycardia may serve as mechanisms to increase functional reserve of the human heart.

  16. An equation-of-state-meter of quantum chromodynamics transition from deep learning.

    Science.gov (United States)

    Pang, Long-Gang; Zhou, Kai; Su, Nan; Petersen, Hannah; Stöcker, Horst; Wang, Xin-Nian

    2018-01-15

    A primordial state of matter consisting of free quarks and gluons that existed in the early universe a few microseconds after the Big Bang is also expected to form in high-energy heavy-ion collisions. Determining the equation of state (EoS) of such a primordial matter is the ultimate goal of high-energy heavy-ion experiments. Here we use supervised learning with a deep convolutional neural network to identify the EoS employed in the relativistic hydrodynamic simulations of heavy ion collisions. High-level correlations of particle spectra in transverse momentum and azimuthal angle learned by the network act as an effective EoS-meter in deciphering the nature of the phase transition in quantum chromodynamics. Such EoS-meter is model-independent and insensitive to other simulation inputs including the initial conditions for hydrodynamic simulations.

  17. State estimation for Markov-type genetic regulatory networks with delays and uncertain mode transition rates

    International Nuclear Information System (INIS)

    Liang Jinling; Lam, James; Wang Zidong

    2009-01-01

    This Letter is concerned with the robust state estimation problem for uncertain time-delay Markovian jumping genetic regulatory networks (GRNs) with SUM logic, where the uncertainties enter into both the network parameters and the mode transition rate. The nonlinear functions describing the feedback regulation are assumed to satisfy the sector-like conditions. The main purpose of the problem addressed is to design a linear estimator to approximate the true concentrations of the mRNA and protein through available measurement outputs. By resorting to the Lyapunov functional method and some stochastic analysis tools, it is shown that if a set of linear matrix inequalities (LMIs) is feasible, the desired state estimator, that can ensure the estimation error dynamics to be globally robustly asymptotically stable in the mean square, exists. The obtained LMI conditions are dependent on both the lower and the upper bounds of the delays. An illustrative example is presented to demonstrate the feasibility of the proposed estimation schemes.

  18. Probing the transition state region in catalytic CO oxidation on Ru

    Energy Technology Data Exchange (ETDEWEB)

    Ostrom, H. [Stockholm Univ. (Sweden); Oberg, H. [Stockholm Univ. (Sweden); Xin, H. [SLAC National Accelerator Lab., Menlo Park, CA (United States); LaRue, J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Beye, M. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Dell' Angela, M. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); Gladh, J. [Stockholm Univ. (Sweden); Ng, M. L. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Sellberg, J. A. [Stockholm Univ. (Sweden); SLAC National Accelerator Lab., Menlo Park, CA (United States); Kaya, S. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Mercurio, G. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); Nordlund, D. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Hantschmann, M. [Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Hieke, F. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); Kuhn, D. [Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Schlotter, W. F. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Dakovski, G. L. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Turner, J. J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Minitti, M. P. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Mitra, A. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Moeller, S. P. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Fohlisch, A. [Helmholtz Zentrum Berlin fur Materialien und Energie GmbH, Berlin (Germany); Univ. Potsdam, Potsdam (Germany); Wolf, M. [Fritz-Haber Institute of the Max-Planck-Society, Berlin (Germany); Wurth, W. [Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany); DESY Photon Science, Hamburg (Germany); Persson, M. [The Univ. of Liverpool, Liverpool (United Kingdom); Norskov, J. K. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); Abild-Pedersen, F. [Stanford Univ., Stanford, CA (United States); Ogasawara, H. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Pettersson, L. G. M. [Stockholm Univ. (Sweden); Nilsson, A. [Stockholm Univ. (Sweden); SLAC National Accelerator Lab., Menlo Park, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)

    2015-02-12

    Femtosecond x-ray laser pulses are used to probe the CO oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and O on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the O K-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC–O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region, which is consistent with predictions based on a quantum oscillator model.

  19. Reassessment of fission fragment angular distributions from continuum states in the context of transition-state theory

    International Nuclear Information System (INIS)

    Vaz, L.C.; Alexander, J.M.

    1983-01-01

    Fission angular distributions have been studied for years and have been treated as classic examples of transition-state theory. Early work involving composite nuclei of relatively low excitation energy Esup(*) ( 2 0 (K 2 0 = Psub(eff)T/(h/2π) 2 ) are presented along with comparissons of Psub(eff) to moments of inertia for saddle-point nuclei from the rotating liquid drop model. This model gives an excellent guide for the intermediate spin zone (30 < or approx. I < or approx. 65), while strong shell and/or pairing effects are evident for excitations less than < or approx. 35 MeV. Observations of strong anisotropies for very high-spin systems signal the demise of certain approximations commonly made in the theory, and suggestions are made toward this end. (orig.)

  20. Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment

    Science.gov (United States)

    Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J. A.; Setser, Donald W.; Hase, William L.

    2017-10-01

    Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN⋯HF post-reaction potential energy well of ˜10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH2CN rotation, and CH2CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH3CN → HF + CH2CN

  1. Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

    Science.gov (United States)

    Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L

    2017-10-14

    Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3 CN → HF + CH 2 CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH 2 CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2 CN and then trapping in the CH 2 CN⋯HF post-reaction potential energy well of ∼10 kcal/mol with respect to the HF + CH 2 CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2 CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH 2 CN rotation, and CH 2 CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3 CN

  2. Efficient excitation of nonlinear phonons via chirped pulses: Induced structural phase transitions

    Science.gov (United States)

    Itin, A. P.; Katsnelson, M. I.

    2018-05-01

    Nonlinear phononics play important role in strong laser-solid interactions. We discuss a dynamical protocol for efficient phonon excitation, considering recent inspiring proposals: inducing ferroelectricity in paraelectric perovskites, and inducing structural deformations in cuprates [Subedi et al., Phys. Rev. B 89, 220301(R) (2014), 10.1103/PhysRevB.89.220301; Phys. Rev. B 95, 134113 (2017), 10.1103/PhysRevB.95.134113]. High-frequency phonon modes are driven by midinfrared pulses, and coupled to lower-frequency modes those indirect excitations cause structural deformations. We study in more detail the case of KTaO3 without strain, where it was not possible to excite the needed low-frequency phonon mode by resonant driving of the higher frequency one. Behavior of the system is explained using a reduced model of coupled driven nonlinear oscillators. We find a dynamical mechanism which prevents effective excitation at resonance driving. To induce ferroelectricity, we employ driving with sweeping frequency, realizing so-called capture into resonance. The method can be applied to many other related systems.

  3. Efficiency and threshold pump intensity of CW solar-pumped solid-state lasers

    Science.gov (United States)

    Hwang, In H.; Lee, Ja H.

    1991-01-01

    The authors consider the relation between the threshold pumping intensity, the material properties, the resonator parameters, and the ultimate slope efficiencies of various solid-state laser materials for solar pumping. They clarify the relation between the threshold pump intensity and the material parameters and the relation between the ultimate slope efficiency and the laser resonator parameters such that a design criterion for the solar-pumped solid-state laser can be established. Among the laser materials evaluated, alexandrite has the highest slope efficiency of about 12.6 percent; however, it does not seem to be practical for a solar-pumped laser application because of its high threshold pump intensity. Cr:Nd:GSGG is the most promising for solar-pumped lasing. Its threshold pump intensity is about 100 air-mass-zero (AM0) solar constants and its slope efficiency is about 12 percent when thermal deformation is completely prevented.

  4. State Support for Promotion of Electrical Energy Produced in High Efficiency Cogeneration in Romania

    Directory of Open Access Journals (Sweden)

    Mushatescu V.

    2016-12-01

    Full Text Available Romania accumulated a useful experience in supporting high efficient cogeneration through a bonus type scheme. Spreading this experience to other countries that can choose a similar support scheme could lead to important savings and better results in developing this efficient tool. This state aid is operational, targeted to new investments stimulation for cogeneration technologies and replacement or existing plants rehabilitation. Present paper focuses on the results of support scheme after five years of its application: increase of number of producers who benefit of this aid, raising of general efficiency of high efficient cogeneration, important savings of primary energy and CO2 emissions avoided. On the other hand, use of this scheme showed a number of problems (to which this paper proposes adequate solutions on institutional/administrative, investition, technical, economical-financial and social frameworks that influences beneficiaries and/or financiers of state aid.

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

    Science.gov (United States)

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

    2017-10-01

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

  6. The peptide-receptive transition state of MHC-1 molecules: Insight from structure and molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Robinson H.; Mage, M.; Dolan, M.; Wang, R.; Boyd, L.; Revilleza, M.; Natarajan, K.; Myers, N.; Hansen, T.; Margulies, D.

    2012-05-01

    MHC class I (MHC-I) proteins of the adaptive immune system require antigenic peptides for maintenance of mature conformation and immune function via specific recognition by MHC-I-restricted CD8(+) T lymphocytes. New MHC-I molecules in the endoplasmic reticulum are held by chaperones in a peptide-receptive (PR) transition state pending release by tightly binding peptides. In this study, we show, by crystallographic, docking, and molecular dynamics methods, dramatic movement of a hinged unit containing a conserved 3(10) helix that flips from an exposed 'open' position in the PR transition state to a 'closed' position with buried hydrophobic side chains in the peptide-loaded mature molecule. Crystallography of hinged unit residues 46-53 of murine H-2L(d) MHC-I H chain, complexed with mAb 64-3-7, demonstrates solvent exposure of these residues in the PR conformation. Docking and molecular dynamics predict how this segment moves to help form the A and B pockets crucial for the tight peptide binding needed for stability of the mature peptide-loaded conformation, chaperone dissociation, and Ag presentation.

  7. Transitions between states of labor-force participation among older Israelis.

    Science.gov (United States)

    Achdut, Leah; Tur-Sinai, Aviad; Troitsky, Rita

    2015-03-01

    The study examines the labor-force behavior of Israelis at older ages, focusing on the determinants of the transitions between states of labor-force participation between 2005 and 2010. The study uses panel data from the first two waves of the SHARE-Israel longitudinal survey. A multinomial logit model is used to examine the impact of sociodemographic characteristics, health state, and economic resources on labor-force transitions of people aged 50-67. The results emphasize the role of age and poor health in "pushing" older people out of the labor force or "keeping" them there. Spouse's participation is found to encourage individuals to leave the labor force or to refrain from joining it. However, living with a participating spouse is negatively associated with staying out of the labor force, consistent with the dominance of the complementarity of leisure effect found in the literature. Wealth as an economic resource available to individuals for retirement is also found to encourage individuals to leave the labor force or to refrain from joining it.

  8. Thermal isomerization of azobenzenes: on the performance of Eyring transition state theory

    Science.gov (United States)

    Rietze, Clemens; Titov, Evgenii; Lindner, Steven; Saalfrank, Peter

    2017-08-01

    The thermal Z\\to E (back-)isomerization of azobenzenes is a prototypical reaction occurring in molecular switches. It has been studied for decades, yet its kinetics is not fully understood. In this paper, quantum chemical calculations are performed to model the kinetics of an experimental benchmark system, where a modified azobenzene (AzoBiPyB) is embedded in a metal-organic framework (MOF). The molecule can be switched thermally from cis to trans, under solvent-free conditions. We critically test the validity of Eyring transition state theory for this reaction. As previously found for other azobenzenes (albeit in solution), good agreement between theory and experiment emerges for activation energies and activation free energies, already at a comparatively simple level of theory, B3LYP/6-31G* including dispersion corrections. However, theoretical Arrhenius prefactors and activation entropies are in qualitiative disagreement with experiment. Several factors are discussed that may have an influence on activation entropies, among them dynamical and geometric constraints (imposed by the MOF). For a simpler model—Z\\to E isomerization in azobenzene—a systematic test of quantum chemical methods from both density functional theory and wavefunction theory is carried out in the context of Eyring theory. Also, the effect of anharmonicities on activation entropies is discussed for this model system. Our work highlights capabilities and shortcomings of Eyring transition state theory and quantum chemical methods, when applied for the Z\\to E (back-)isomerization of azobenzenes under solvent-free conditions.

  9. Secondary deuterium isotope effects and transition state structure in the aromatic claisen rearrangement

    International Nuclear Information System (INIS)

    McMichael, K.D.; Korver, G.L.

    1979-01-01

    Kinetic experiments were carried out simultaneously on separate methyl salicylate solutions of allyl phenyl ether and its deuterated phenyl analogues at 170 to 195 0 C. Gas chromatographic analysis for allyl phenyl ether using an internal standard (anisole) and mechanical integration produced concentration/time data which were fitted to the exponential form of the first-order rate equation by a standard and nonlinear least-square program. At least 15 points were obtained for each run, covering 10 to 85% reaction. The derived isotope effects show no temperature dependence. Averages for 6 runs with each compound are k/sub H//k/sub α-D 2 / = 1.18 and K/sub H//k/sub γ-D 2 / = 0.95. An equilibrium α effect of 1.30 and a γ effect of 0.87 may be calculated for both deuterium atoms at 185 0 C. These results show that the C--H vibration frequencies are approximately (1.18 - 1)/(1.27 - 1) or 57 to 77% of the way from those of allyl phenyl ether to those of the cyclohexadiene intermediate. The C--H frequencies of the γ carbon in the transition state are about (0.95 - 1)/(0.88 - 1) or 22 to 62% of the way to those of the intermediate. The structure of the transition state, as far as these bonding frequencies are concerned, is consistent with the Claisen rearrangement

  10. High Pressure ZZ-Exchange NMR Reveals Key Features of Protein Folding Transition States.

    Science.gov (United States)

    Zhang, Yi; Kitazawa, Soichiro; Peran, Ivan; Stenzoski, Natalie; McCallum, Scott A; Raleigh, Daniel P; Royer, Catherine A

    2016-11-23

    Understanding protein folding mechanisms and their sequence dependence requires the determination of residue-specific apparent kinetic rate constants for the folding and unfolding reactions. Conventional two-dimensional NMR, such as HSQC experiments, can provide residue-specific information for proteins. However, folding is generally too fast for such experiments. ZZ-exchange NMR spectroscopy allows determination of folding and unfolding rates on much faster time scales, yet even this regime is not fast enough for many protein folding reactions. The application of high hydrostatic pressure slows folding by orders of magnitude due to positive activation volumes for the folding reaction. We combined high pressure perturbation with ZZ-exchange spectroscopy on two autonomously folding protein domains derived from the ribosomal protein, L9. We obtained residue-specific apparent rates at 2500 bar for the N-terminal domain of L9 (NTL9), and rates at atmospheric pressure for a mutant of the C-terminal domain (CTL9) from pressure dependent ZZ-exchange measurements. Our results revealed that NTL9 folding is almost perfectly two-state, while small deviations from two-state behavior were observed for CTL9. Both domains exhibited large positive activation volumes for folding. The volumetric properties of these domains reveal that their transition states contain most of the internal solvent excluded voids that are found in the hydrophobic cores of the respective native states. These results demonstrate that by coupling it with high pressure, ZZ-exchange can be extended to investigate a large number of protein conformational transitions.

  11. Case studies of energy efficiency financing in the original five pilot states, 1993-1996

    Energy Technology Data Exchange (ETDEWEB)

    Farhar, B C; Collins, N E; Walsh, R W

    1997-05-01

    The purpose of this report is to document progress in state-level programs in energy efficiency financing programs that are linked with home energy rating systems. Case studies are presented of programs in five states using a federal pilot program to amortize the costs of home energy improvements. The case studies present background information, describe the states` program, list preliminary evaluation data and findings, and discuss problems and solution encountered in the programs. A comparison of experiences in pilot states will be used to provide guidelines for program implementers, federal agencies, and Congress. 5 refs.

  12. Current Practices in Efficiency Financing: An Overview for State and Local Governments

    Energy Technology Data Exchange (ETDEWEB)

    Leventis, Greg [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Fadrhonc, Emily Martin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kramer, Chris [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Goldman, Charles [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2016-11-01

    In recent years there has been significant growth in the size and sheer number of energy efficiency financing programs. The term “energy efficiency financing” refers to debt or debt-like products that support the installation of energy efficiency measures by allowing costs to be spread over time. The implementation of the American Recovery and Reinvestment Act (ARRA) led to a proliferation of energy efficiency financing programs, which was followed in subsequent years by the launch of green banks in several states and the ramp up of other ratepayer-supported financing initiatives in various jurisdictions. These activities have brought increased attention to energy efficiency financing as an area of programmatic interest. Yet the propagation of various types of financing in a growing number of markets may have also left some policymakers and program administrators with questions as to what categories of products and programs are best suited for their situation.

  13. Current drive efficiency requirements for an attractive steady-state reactor

    Energy Technology Data Exchange (ETDEWEB)

    Tonon, G

    1994-12-31

    The expected values of the figure of merit and the electrical efficiency of various non-inductive current drive methods are considered. The main experimental results achieved today with neutral beams and radiofrequency systems are summarized. Taking into account the simplified energy flow diagram of a steady state reactor, the figure of merit and the electrical efficiency values which are necessary in order to envisage an attractive steady-state reactor are determined. These values are compared to the theoretical predictions. (author). 16 refs., 11 figs., 2 tabs.

  14. An efficient deterministic secure quantum communication scheme based on cluster states and identity authentication

    International Nuclear Information System (INIS)

    Wen-Jie, Liu; Han-Wu, Chen; Zhi-Qiang, Li; Zhi-Hao, Liu; Wen-Bo, Hu; Ting-Huai, Ma

    2009-01-01

    A novel efficient deterministic secure quantum communication scheme based on four-qubit cluster states and single-photon identity authentication is proposed. In this scheme, the two authenticated users can transmit two bits of classical information per cluster state, and its efficiency of the quantum communication is 1/3, which is approximately 1.67 times that of the previous protocol presented by Wang et al [Chin. Phys. Lett. 23 (2006) 2658]. Security analysis shows the present scheme is secure against intercept-resend attack and the impersonator's attack. Furthermore, it is more economic with present-day techniques and easily processed by a one-way quantum computer. (general)

  15. Current drive efficiency requirements for an attractive steady-state reactor

    International Nuclear Information System (INIS)

    Tonon, G.

    1994-01-01

    The expected values of the figure of merit and the electrical efficiency of various non-inductive current drive methods are considered. The main experimental results achieved today with neutral beams and radiofrequency systems are summarized. Taking into account the simplified energy flow diagram of a steady state reactor, the figure of merit and the electrical efficiency values which are necessary in order to envisage an attractive steady-state reactor are determined. These values are compared to the theoretical predictions. (author). 16 refs., 11 figs., 2 tabs

  16. Solution processed transition metal oxide anode buffer layers for efficiency and stability enhancement of polymer solar cells

    Science.gov (United States)

    Ameen, M. Yoosuf; Shamjid, P.; Abhijith, T.; Reddy, V. S.

    2018-01-01

    Polymer solar cells were fabricated with solution-processed transition metal oxides, MoO3 and V2O5 as anode buffer layers (ABLs). The optimized device with V2O5 ABL exhibited considerably higher power conversion efficiency (PCE) compared to the devices based on MoO3 and poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) ABLs. The space charge limited current measurements and impedance spectroscopy results of hole-only devices revealed that V2O5 provided a very low charge transfer resistance and high hole mobility, facilitating efficient hole transfer from the active layer to the ITO anode. More importantly, incorporation of V2O5 as ABL resulted in substantial improvement in device stability compared to MoO3 and PEDOT:PSS based devices. Unencapsulated PEDOT:PSS-based devices stored at a relative humidity of 45% have shown complete failure within 96 h. Whereas, MoO3 and V2O5 based devices stored in similar conditions retained 22% and 80% of their initial PCEs after 96 h. Significantly higher stability of the V2O5-based device is ascribed to the reduction in degradation of the anode/active layer interface, as evident from the electrical measurements.

  17. Highly efficient transition metal and nitrogen co-doped carbide-derived carbon electrocatalysts for anion exchange membrane fuel cells

    Science.gov (United States)

    Ratso, Sander; Kruusenberg, Ivar; Käärik, Maike; Kook, Mati; Puust, Laurits; Saar, Rando; Leis, Jaan; Tammeveski, Kaido

    2018-01-01

    The search for an efficient electrocatalyst for oxygen reduction reaction (ORR) to replace platinum in fuel cell cathode materials is one of the hottest topics in electrocatalysis. Among the many non-noble metal catalysts, metal/nitrogen/carbon composites made by pyrolysis of cheap materials are the most promising with control over the porosity and final structure of the catalyst a crucial point. In this work we show a method of producing a highly active ORR catalyst in alkaline media with a controllable porous structure using titanium carbide derived carbon as a base structure and dicyandiamide along with FeCl3 or CoCl2 as the dopants. The resulting transition metal-nitrogen co-doped carbide derived carbon (M/N/CDC) catalyst is highly efficient for ORR electrocatalysis with the activity in 0.1 M KOH approaching that of commercial 46.1 wt.% Pt/C. The catalyst materials are also investigated by scanning electron microscopy, Raman spectroscopy and X-ray photoelectron spectroscopy to characterise the changes in morphology and composition causing the raise in electrochemical activity. MEA performance of M/N/CDC cathode materials in H2/O2 alkaline membrane fuel cell is tested with the highest power density reached being 80 mW cm-2 compared to 90 mW cm-2 for Pt/C.

  18. Reversibility of magnetic field driven transition from electronic phase separation state to single-phase state in manganites: A microscopic view

    Science.gov (United States)

    Liu, Hao; Lin, Lingfang; Yu, Yang; Lin, Hanxuan; Zhu, Yinyan; Miao, Tian; Bai, Yu; Shi, Qian; Cai, Peng; Kou, Yunfang; Lan, Fanli; Wang, Wenbin; Zhou, Xiaodong; Dong, Shuai; Yin, Lifeng; Shen, Jian

    2017-11-01

    Electronic phase separation (EPS) is a common phenomenon in strongly correlated oxides. For colossal magnetoresistive (CMR) manganites, the EPS is so pronounced that not only does it govern the CMR behavior, but also raises a question whether EPS exists as a ground state for systems or a metastable state. While it has been well known that a magnetic field can drive the transition of the EPS state into a single-phase state in manganites, the reversibility of this transition is not well studied. In this work we use magnetic force microscopy (MFM) to directly visualize the reversibility of the field driven transition between the EPS state and the single-phase state at different temperatures. The MFM images correspond well with the global magnetic and transport property measurements, uncovering the underlying mechanism of the field driven transition between the EPS state and the single-phase state. We argue that EPS state is a consequence of system quenching whose response to an external magnetic field is governed by a local energy landscape.

  19. Inhibition and Structure of Trichomonas vaginalis Purine Nucleoside Phosphorylase with Picomolar Transition State Analogues

    Energy Technology Data Exchange (ETDEWEB)

    Rinaldo-Matthis,A.; Wing, C.; Ghanem, M.; Deng, H.; Wu, P.; Gupta, A.; Tyler, P.; Evans, G.; Furneaux, R.; et al.

    2007-01-01

    Trichomonas vaginalis is a parasitic protozoan purine auxotroph possessing a unique purine salvage pathway consisting of a bacterial type purine nucleoside phosphorylase (PNP) and a purine nucleoside kinase. Thus, T. vaginalis PNP (TvPNP) functions in the reverse direction relative to the PNPs in other organisms. Immucillin-A (ImmA) and DADMe-Immucillin-A (DADMe-ImmA) are transition stte mimics of adenosine with geometric and electrostatic features that resemble early and late transition states of adenosine at the transition state stabilized by TvPNP. ImmA demonstrates slow-onset tight-binding inhibition with TvPNP, to give an equilibrium dissociation constant of 87 pM, an inhibitor release half-time of 17.2 min, and a K{sub m}/K{sub d} ratio of 70,100. DADMe-ImmA resembles a late ribooxacarbenium ion transition state for TvPNP to give a dissociation constant of 30 pM, an inhibitor release half-time of 64 min, and a K{sub m}/K{sub d} ratio of 203,300. The tight binding of DADMe-ImmA supports a late S{sub N}1 transition state. Despite their tight binding to TvPNP, ImmA and DADMe-ImmA are weak inhibitors of human and P. falciparum PNPs. The crystal structures of the TvPNP-ImmA{center_dot}PO{sub 4} and TvPNP{center_dot}DADMe-ImmA{center_dot}PO{sub 4} ternary complexes differ from previous structures with substrate anologues. The tight binding with DADMe-ImmA is in part due to a 2.7 {angstrom} ionic interaction between a PO{sub 4} oxygen and the N1 cation of the hydroxypyrrolidine and is weaker in the TvPNP{center_dot}ImmA{center_dot}PO{sub 4} structure at 3.5 {angstrom}. However, the TvPNP{center_dot}ImmA{center_dot}PO{sub 4} structure includes hydrogen bonds between the 2'-hydroxyl and the protein that are not present in TvPNP{center_dot}DADMe-ImmA{center_dot}PO{sub 4}. These structures explain why DADMe-ImmA binds tighter than ImmA. Immucillin-H is a 12 nM inhibitor of TvPNP but a 56 pM inhibitor of human PNP. And this difference is explained by isotope

  20. High energy (MeV) ion-irradiated π-conjugated polyaniline: Transition from insulating state to carbonized conducting state

    International Nuclear Information System (INIS)

    Park, S.K.; Lee, S.Y.; Lee, C.S.; Kim, H.M.; Joo, J.; Beag, Y.W.; Koh, S.K.

    2004-01-01

    High energy (MeV) C 2+ , F 2+ , and Cl 2+ ions were irradiated onto π-conjugated polyaniline emeraldine base (PAN-EB) samples. The energy of an ion beam was controlled to a range of 3-4.5 MeV, with the ion dosage varying from 1x10 12 to 1x10 16 ions/cm 2 . The highest dc conductivity (σ dc ) at room temperature was measured to be ∼60 S/cm for 4.5 MeV Cl 2+ ion-irradiated PAN-EB samples with a dose of 1x10 16 ions/cm 2 . We observed the transition of high energy ion-irradiated PAN-EB samples from insulating state to conducting state as a function of ion dosage based on σ dc and its temperature dependence. The characteristic peaks of the Raman spectrum of the PAN-EB samples were reduced, while the D-peak (disordered peak) and the G peak (graphitic peak) appeared as the ion dose increased. From the analysis of the D and G peaks of the Raman spectra of the systems compared to multiwalled carbon nanotubes, ion-irradiated graphites, and annealed carbon films, the number of the clusters of hexagon rings with conducting sp 2 -bonded carbons increased with ion dosage. We also observed the increase in the size of the nanocrystalline graphitic domain of the systems with increasing ion dosage. The intensity of normalized electron paramagnelic resonance signal also increased in correlation with ion dose. The results of this study demonstrate that π-conjugated pristine PAN-EB systems changed from insulating state to carbonized conducting state through high energy ion irradiation with high ion dosage

  1. Meissner effects, vortex core states, and the vortex glass phase transition

    International Nuclear Information System (INIS)

    Huang, Ming.

    1991-01-01

    This thesis covers three topics involving Meissner effects and the resulting defect structures. The first is a study of Meissner effects in superconductivity and in systems with broken translational symmetry. The Meissner effect in the superconductors is a rigidity against external magnetic field caused by the breaking of the gauge symmetry. Other condensed matter systems also exhibit rigidities like this: The breaking of the translational symmetry in a cubic-liquid-crystal causes the system to expel twist deformations and the breaking of the translational symmetry in a nematic liquid crystal gives it a tendency to expel twist and bend deformations. In this thesis, the author studies these generalized Meissner effects in detail. The second is a study of the quasiparticle states bound to the vortex defect in superconductors. Scanning-tunneling-microscope measurements by Harald Hess et al. of the local density of states in a vortex core show a pronounced peak at small bias. These measurements contradict with previous theoretical calculations. Here, he solves the Bogoliubov equations to obtain the local density of states in the core and satisfactorily explain the experimental observations. He also predicted additional structure in the local density of states which were later observed in experiments. The third is a study of vortex dynamics in the presence of disorder. A mean field theory is developed for the recently proposed normal to superconducting vortex glass transition. Using techniques developed to study the critical dynamics of spin glasses, he calculates the mean field vortex glass phase boundary and the critical exponents

  2. Cosmological implications of the transition from the false vacuum to the true vacuum state

    Energy Technology Data Exchange (ETDEWEB)

    Stachowski, Aleksander [Jagiellonian University, Astronomical Observatory, Krakow (Poland); Szydlowski, Marek [Jagiellonian University, Astronomical Observatory, Krakow (Poland); Jagiellonian University, Mark Kac Complex Systems Research Centre, Krakow (Poland); Urbanowski, Krzysztof [University of Zielona Gora, Institute of Physics, Zielona Gora (Poland)

    2017-06-15

    We study cosmology with running dark energy. The energy density of dark energy is obtained from the quantum process of transition from the false vacuum state to the true vacuum state. We use the Breit-Wigner energy distribution function to model the quantum unstable systems and obtain the energy density of the dark energy parametrization ρ{sub de}(t). We also use Krauss and Dent's idea linking properties of the quantum mechanical decay of unstable states with the properties of the observed Universe. In the cosmological model with this parametrization there is an energy transfer between dark matter and dark energy. The intensity of this process, measured by a parameter α, distinguishes two scenarios. As the Universe starts from the false vacuum state, for the small value of α (0 < α < 0.4) it goes through an intermediate oscillatory (quantum) regime of the density of dark energy, while for α > 0.4 the density of the dark energy jumps down. In both cases the present value of the density of dark energy is reached. From a statistical analysis we find this model to be in good agreement with the astronomical data and practically indistinguishable from the ΛCDM model. (orig.)

  3. GRHL3 binding and enhancers rearrange as epidermal keratinocytes transition between functional states.

    Directory of Open Access Journals (Sweden)

    Rachel Herndon Klein

    2017-04-01

    Full Text Available Transcription factor binding, chromatin modifications and large scale chromatin re-organization underlie progressive, irreversible cell lineage commitments and differentiation. We know little, however, about chromatin changes as cells enter transient, reversible states such as migration. Here we demonstrate that when human progenitor keratinocytes either differentiate or migrate they form complements of typical enhancers and super-enhancers that are unique for each state. Unique super-enhancers for each cellular state link to gene expression that confers functions associated with the respective cell state. These super-enhancers are also enriched for skin disease sequence variants. GRHL3, a transcription factor that promotes both differentiation and migration, binds preferentially to super-enhancers in differentiating keratinocytes, while during migration, it binds preferentially to promoters along with REST, repressing the expression of migration inhibitors. Key epidermal differentiation transcription factor genes, including GRHL3, are located within super-enhancers, and many of these transcription factors in turn bind to and regulate super-enhancers. Furthermore, GRHL3 represses the formation of a number of progenitor and non-keratinocyte super-enhancers in differentiating keratinocytes. Hence, chromatin relocates GRHL3 binding and enhancers to regulate both the irreversible commitment of progenitor keratinocytes to differentiation and their reversible transition to migration.

  4. Cosmological implications of the transition from the false vacuum to the true vacuum state

    International Nuclear Information System (INIS)

    Stachowski, Aleksander; Szydlowski, Marek; Urbanowski, Krzysztof

    2017-01-01

    We study cosmology with running dark energy. The energy density of dark energy is obtained from the quantum process of transition from the false vacuum state to the true vacuum state. We use the Breit-Wigner energy distribution function to model the quantum unstable systems and obtain the energy density of the dark energy parametrization ρ_d_e(t). We also use Krauss and Dent's idea linking properties of the quantum mechanical decay of unstable states with the properties of the observed Universe. In the cosmological model with this parametrization there is an energy transfer between dark matter and dark energy. The intensity of this process, measured by a parameter α, distinguishes two scenarios. As the Universe starts from the false vacuum state, for the small value of α (0 0.4 the density of the dark energy jumps down. In both cases the present value of the density of dark energy is reached. From a statistical analysis we find this model to be in good agreement with the astronomical data and practically indistinguishable from the ΛCDM model. (orig.)

  5. A chain-of-states acceleration method for the efficient location of minimum energy paths

    International Nuclear Information System (INIS)

    Hernández, E. R.; Herrero, C. P.; Soler, J. M.

    2015-01-01

    We describe a robust and efficient chain-of-states method for computing Minimum Energy Paths (MEPs) associated to barrier-crossing events in poly-atomic systems, which we call the acceleration method. The path is parametrized in terms of a continuous variable t ∈ [0, 1] that plays the role of time. In contrast to previous chain-of-states algorithms such as the nudged elastic band or string methods, where the positions of the states in the chain are taken as variational parameters in the search for the MEP, our strategy is to formulate the problem in terms of the second derivatives of the coordinates with respect to t, i.e., the state accelerations. We show this to result in a very simple and efficient method for determining the MEP. We describe the application of the method to a series of test cases, including two low-dimensional problems and the Stone-Wales transformation in C 60

  6. Ensuring capacity adequacy during energy transition in mature power markets: a social efficiency comparison of scarcity pricing and capacity mechanism

    International Nuclear Information System (INIS)

    Petitet, Marie; Finon, Dominique; Janssen, Tanguy

    2016-01-01

    This paper analyses how a capacity market mechanism can address security of supply objectives in the case of an energy transition scenario which combines both high energy efficiency efforts which stabilise demand in a context of mature markets and rapid increase of renewables share. The exogenous entry of variable renewables introduces a new challenge in matter of security of supply during peak hours. To analyse this situation, power markets are simulated on the long term with a model based on System Dynamics modelling which integrates both new investment and closure decisions. This last trait is an originality of the model which is very relevant to study market maturity. The addition of a capacity mechanism in a market architecture with price cap is compared to scarcity pricing in different situations. Simulations are performed for two different cases: a case without any exogenous closure of existing power plants and a case with exogenous retirements which create a need of new investments. Under the assumption of a risk-neutral investor, the results indicate that compared to an energy-only market with price cap set at euro 3,000/MWh, energy-only with scarcity pricing and capacity mechanism are two efficient market designs to reach an acceptable level of loss of load. Besides, the results highlight that the advantage of one design on the other in terms of social efficiency depends on the future scenarios which are simulated. Moreover, the results illustrates that the three market designs lead to different level of risk for peaking units, suggesting that including risk aversion is a relevant further step in the modelling. (authors)

  7. M1 and E2 transitions in the ground-state configuration of atomic ...

    Indian Academy of Sciences (India)

    have calculated the forbidden transition (M1 and E2) parameters such as transition energies, log- arithmic weighted ... Keywords. Forbidden transitions; transition energies; logarithmic weighted oscillator strengths; .... optimizing the energy function based on the non-relativistic Hamiltonian of an atom,. HNR = N. ∑ j=1. (12∇ ...

  8. Efficiency audit for IT-systems of state management strategic objects

    Directory of Open Access Journals (Sweden)

    Abasov V.A.

    2017-06-01

    Full Text Available Hackers’ attacks at the end of 2016 and at the beginning of 2017 р. on governmental information and telecommunication systems, including Ministry of Finance in Ukraine, and State Treasury Department, caused vast delays in budgetary payments. They showed «sensitiveness» and insecurity of governmental institutions for cyber-attacks because of control absence of three main security measures, such as technical limitations for downloading programs, limited use of rights for local administrators, systematical software renewals. International experience shows these security measures of governmental IT-systems have to be the audit subject of state financial control authorities. The base of information technology audit was initiated in the studies of І.К. Drozd, S.V. Іvachnenkova, М.М. Benko, Ju.А. Кuxminskiy, А.V. Мamyshev. Simultaneously, the issue of IT-system state audit was examined in theoretical researches partially because there is no practice of such audit in Ukraine. That is why it is necessary to learn international practice of efficiency audit for IT-systems and world standards for establishments of state management sector. The research allowed to propose the methodology of efficiency audit for IT-systems for state institutions; the methodology provides planning and conducting the main procedures on the base of risk estimation of security threats for information systems. The author determines the peculiarities in security risk management for IT-systems by means of risk estimation of security components of IT-systems while conducting efficiency audit. The author sets the method of descending step-by-step detailing for audit estimation of IT-system risk management efficiency at strategic enterprises belonging to state management sector by means of adaptation of ISSAI standard norms. The paper proposes three possible options of management solution concerning IT-system risk management efficiency on the base of information about the

  9. State and transition models: Theory, applications, and challenges. In: Briske, D.D. Rangeland Systems: Processes, Management and Challenges

    Science.gov (United States)

    State and transition models (STMs) are used for communicating about ecosystem change in rangelands and other ecosystems, especially the implications for management. The fundamental premise that rangelands can exhibit multiple states is now widely accepted. The current application of STMs for managem...

  10. The shape of the melting curve and phase transitions in the liquid state

    International Nuclear Information System (INIS)

    Yahel, Eyal

    2014-01-01

    The phase diagram of elemental liquids has been found to be surprisingly rich, including variations in the melting curve and transitions in the liquid phase. The effect of these transitions on the shape of the melting curve is reviewed and analyzed. First-order phase transitions intersecting the melting curve imply piecewise continuous melting curves, with solid-solid transitions generating upward kinks or minima and liquid-liquid transitions generating downward kinks or maxima

  11. Prioritizing bird conservation actions in the Prairie Hardwood transition of the Midwestern United States

    Science.gov (United States)

    Thogmartin, Wayne E.; Crimmins, Shawn M.; Pearce, Jennie

    2014-01-01

    Large-scale planning for the conservation of species is often hindered by a poor understanding of factors limiting populations. In regions with declining wildlife populations, it is critical that objective metrics of conservation success are developed to ensure that conservation actions achieve desired results. Using spatially explicit estimates of bird abundance, we evaluated several management alternatives for conserving bird populations in the Prairie Hardwood Transition of the United States. We designed landscapes conserving species at 50% of their current predicted abundance as well as landscapes attempting to achieve species population targets (which often required the doubling of current abundance). Conserving species at reduced (half of current) abundance led to few conservation conflicts. However, because of extensive modification of the landscape to suit human use, strategies for achieving regional population targets for forest bird species would be difficult under even ideal circumstances, and even more so if maintenance of grassland bird populations is also desired. Our results indicated that large-scale restoration of agricultural lands to native grassland and forest habitats may be the most productive conservation action for increasing bird population sizes but the level of landscape transition required to approach target bird population sizes may be societally unacceptable.

  12. Surface-Induced Frustration in Solid State Polymorphic Transition of Native Cellulose Nanocrystals.

    Science.gov (United States)

    Salminen, Reeta; Baccile, Niki; Reza, Mehedi; Kontturi, Eero

    2017-06-12

    The presence of an interface generally influences crystallization of polymers from melt or from solution. Here, by contrast, we explore the effect of surface immobilization in a direct solid state polymorphic transition on individual cellulose nanocrystals (CNCs), extracted from a plant-based origin. The conversion from native cellulose I to cellulose III crystal occurred via a host-guest inclusion of ethylene diamine inside the crystal. A 60% reduction in CNC width (height) in atomic force microscopy images suggested that when immobilized on a flat modified silica surface, the stresses caused by the inclusion or the subsequent regeneration resulted in exfoliation, hypothetically, between the van der Waals bonded sheets within the crystal. Virtually no changes in dimensions were visible when the polymorphic transition was performed to nonimmobilized CNCs in bulk dispersion. With reservations and by acknowledging the obvious dissimilarities, the exfoliation of cellulose crystal sheets can be viewed as analogous to exfoliation of 2D structures like graphene from a van der Waals stacked solid. Here, the detachment is triggered by an inclusion of a guest molecule inside a host cellulose crystal and the stresses caused by the firm attachment of the CNC on a solid substrate, leading to detachment of molecular sheets or stacks of sheets.

  13. The transition of mouse pluripotent stem cells from the naïve to the primed state requires Fas signaling through 3-O sulfated heparan sulfate structures recognized by the HS4C3 antibody

    Energy Technology Data Exchange (ETDEWEB)

    Hirano, Kazumi [Laboratory of Cell Biology, Department of Bioinformatics, Faculty of Engineering, Soka University, 1-236 Tangi-cho, Hachioji, Tokyo 192-8577 (Japan); Van Kuppevelt, Toin H. [Department of Biochemistry, Nijmegen Center for Molecular Life Sciences, Radboud University Nijmegen Medical Centre, 280 P.O. Box 9101, 6500 HB Nijmegen (Netherlands); Nishihara, Shoko, E-mail: shoko@soka.ac.jp [Laboratory of Cell Biology, Department of Bioinformatics, Faculty of Engineering, Soka University, 1-236 Tangi-cho, Hachioji, Tokyo 192-8577 (Japan)

    2013-01-18

    Highlights: ► Fas transcript increases during the transition from the naïve to the primed state. ► 3OST-5 transcript, the HS4C3 epitope synthesis gene, increases during the transition. ► Fas signaling regulates the transition from the naïve to the primed state. ► HS4C3-binding epitope regulates the transition from the naïve to the primed state. ► Fas signaling is regulated by the HS4C3 epitope during the transition. -- Abstract: The characteristics of pluripotent embryonic stem cells of human and mouse are different. The properties of human embryonic stem cells (hESCs) are similar to those of mouse epiblast stem cells (mEpiSCs), which are in a later developmental pluripotency state, the so-called “primed state” compared to mouse embryonic stem cells (mESCs) which are in a naïve state. As a result of the properties of the primed state, hESCs proliferate slowly, cannot survive as single cells, and can only be transfected with genes at low efficiency. Generating hESCs in the naïve state is necessary to overcome these problems and allow their application in regenerative medicine. Therefore, clarifying the mechanism of the transition between the naïve and primed states in pluripotent stem cells is important for the establishment of stable methods of generating naïve state hESCs. However, the signaling pathways which contribute to the transition between the naïve and primed states are still unclear. In this study, we carried out induction from mESCs to mEpiSC-like cells (mEpiSCLCs), and observed an increase in the activation of Fas signaling during the induction. The expression of Fgf5, an epiblast marker, was diminished by inhibition of Fas signaling using the caspase-8 and -3 blocking peptides, IETD and DEVD, respectively. Furthermore, during the induction, we observed increased expression of 3-O sulfated heparan sulfate (HS) structures synthesized by HS 3-O-sulfotransferase (3OST), which are recognized by the HS4C3 antibody (HS4C3-binding epitope

  14. The transition of mouse pluripotent stem cells from the naïve to the primed state requires Fas signaling through 3-O sulfated heparan sulfate structures recognized by the HS4C3 antibody

    International Nuclear Information System (INIS)

    Hirano, Kazumi; Van Kuppevelt, Toin H.; Nishihara, Shoko

    2013-01-01

    Highlights: ► Fas transcript increases during the transition from the naïve to the primed state. ► 3OST-5 transcript, the HS4C3 epitope synthesis gene, increases during the transition. ► Fas signaling regulates the transition from the naïve to the primed state. ► HS4C3-binding epitope regulates the transition from the naïve to the primed state. ► Fas signaling is regulated by the HS4C3 epitope during the transition. -- Abstract: The characteristics of pluripotent embryonic stem cells of human and mouse are different. The properties of human embryonic stem cells (hESCs) are similar to those of mouse epiblast stem cells (mEpiSCs), which are in a later developmental pluripotency state, the so-called “primed state” compared to mouse embryonic stem cells (mESCs) which are in a naïve state. As a result of the properties of the primed state, hESCs proliferate slowly, cannot survive as single cells, and can only be transfected with genes at low efficiency. Generating hESCs in the naïve state is necessary to overcome these problems and allow their application in regenerative medicine. Therefore, clarifying the mechanism of the transition between the naïve and primed states in pluripotent stem cells is important for the establishment of stable methods of generating naïve state hESCs. However, the signaling pathways which contribute to the transition between the naïve and primed states are still unclear. In this study, we carried out induction from mESCs to mEpiSC-like cells (mEpiSCLCs), and observed an increase in the activation of Fas signaling during the induction. The expression of Fgf5, an epiblast marker, was diminished by inhibition of Fas signaling using the caspase-8 and -3 blocking peptides, IETD and DEVD, respectively. Furthermore, during the induction, we observed increased expression of 3-O sulfated heparan sulfate (HS) structures synthesized by HS 3-O-sulfotransferase (3OST), which are recognized by the HS4C3 antibody (HS4C3-binding epitope

  15. Efficient all solid-state continuous-wave yellow-orange light source

    DEFF Research Database (Denmark)

    Janousek, Jiri; Johansson, Sandra; Tidemand-Lichtenberg, Peter

    2005-01-01

    We present highly efficient sum-frequency generation between two CW IR lasers using periodically poled KTP. The system is based on the 1064 and 1342 nm laser-lines of two Nd:YVO4 lasers. This is an all solid-state light source in the yellow-orange spectral range. The system is optimized in terms ...

  16. Efficiency of resource-use in Cassava production in Edo state, Nigeria

    African Journals Online (AJOL)

    This study employed the use of the Maximum Likelihood Estimation Technique in estimating the efficiency of resource-use in cassava production in Edo State. Data used for the study were sourced through the cost-route method of data collection, based on a stratified random sampling technique. The average farm size of ...

  17. Organic dye for highly efficient solid-state dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt-Mende, L.; Bach, U.; Humphry-Baker, R.; Ito, S.; Graetzel, M. [Institut des Sciences et Ingenierie Chimiques (ISIC), Laboratoire de Photonique et Interfaces (LPI), Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Horiuchi, T.; Miura, H. [Technology Research Laboratory, Corporate Research Center, Mitsubishi Paper Mills Limited, 46, Wadai, Tsukuba City, Ibaraki 300-4247 (Japan); Uchida, S. [Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 1-1 Katahira 2-chome, Aoba-ku, Sendai 980-8577 (Japan)

    2005-04-04

    The feasibility of solid-state dye-sensitized solar cells as a low-cost alternative to amorphous silicon cells is demonstrated. Such a cell with a record efficiency of over 4 % under simulated sunlight is reported, made possible by using a new organic metal-free indoline dye as the sensitizer with high absorption coefficient. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  18. Performance measurements of a dual-rotor arm mechanism for efficient flight transition of fixed-wing unmanned aerial vehicles

    Science.gov (United States)

    McGill, Karen Ashley Jean

    Reconfigurable systems are a class of systems that can be transformed into different configurations, generally to perform unique functions or to maintain operational efficiency under distinct conditions. A UAV can be considered a reconfigurable system when coupled with various useful features such as vertical take-off and landing (VTOL), hover capability, long-range, and relatively large payload. Currently, a UAV having these capabilities is being designed by the UTSA Mechanical Engineering department. UAVs such as this one have the following potential uses: emergency response/disaster relief, hazard-critical missions, offshore oil rig/wind farm delivery, surveillance, etc. The goal of this thesis is to perform experimental thrust and power measurements for the propulsion system of this fixed-wing UAV. Focus was placed on a rotating truss arm supporting two brushless motors and rotors that will later be integrated to the ends of the UAV wing. These truss arms will rotate via a supporting shaft from 0° to 90° to transition the UAV between a vertical take-off, hover, and forward flight. To make this hover/transition possible, a relationship between thrust, arm angle, and power drawn was established by testing the performance of the arm/motor assembly at arm angles of 0°, 15°, 30°, 45°, 60°, 75°, and 90°. Universal equations for this system of thrust as a function of the arm angle were created by correlating data collected by a load cell. A Solidworks model was created and used to conduct fluid dynamics simulations of the streamlines over the arm/motor assembly.

  19. Staphylococcus aureus-induced G2/M phase transition delay in host epithelial cells increases bacterial infective efficiency.

    Directory of Open Access Journals (Sweden)

    Ludmila Alekseeva

    Full Text Available Staphylococcus aureus is a highly versatile, opportunistic pathogen and the etiological agent of a wide range of infections in humans and warm-blooded animals. The epithelial surface is its principal site of colonization and infection. In this work, we investigated the cytopathic effect of S. aureus strains from human and animal origins and their ability to affect the host cell cycle in human HeLa and bovine MAC-T epithelial cell lines. S. aureus invasion slowed down cell proliferation and induced a cytopathic effect, resulting in the enlargement of host cells. A dramatic decrease in the number of mitotic cells was observed in the infected cultures. Flow cytometry analysis revealed an S. aureus-induced delay in the G2/M phase transition in synchronous HeLa cells. This delay required the presence of live S. aureus since the addition of the heat-killed bacteria did not alter the cell cycle. The results of Western blot experiments showed that the G2/M transition delay was associated with the accumulation of inactive cyclin-dependent kinase Cdk1, a key inducer of mitosis entry, and with the accumulation of unphosphorylated histone H3, which was correlated with a reduction of the mitotic cell number. Analysis of S. aureus proliferation in asynchronous, G1- and G2-phase-enriched HeLa cells showed that the G2 phase was preferential for bacterial infective efficiency, suggesting that the G2 phase delay may be used by S. aureus for propagation within the host. Taken together, our results divulge the potential of S. aureus in the subversion of key cellular processes such as cell cycle progression, and shed light on the biological significance of S. aureus-induced host cell cycle alteration.

  20. Establishment, maintenance, and re-establishment of the safe and efficient steady-following state

    International Nuclear Information System (INIS)

    Pan Deng; Zheng Ying-Ping

    2015-01-01

    We present an integrated mathematical model of vehicle-following control for the establishment, maintenance, and re-establishment of the previous or new safe and efficient steady-following state. The hyperbolic functions are introduced to establish the corresponding mathematical models, which can describe the behavioral adjustment of the following vehicle steered by a well-experienced driver under complex vehicle following situations. According to the proposed mathematical models, the control laws of the following vehicle adjusting its own behavior can be calculated for its moving in safety, efficiency, and smoothness (comfort). Simulation results show that the safe and efficient steady-following state can be well established, maintained, and re-established by its own smooth (comfortable) behavioral adjustment with the synchronous control of the following vehicle’s velocity, acceleration, and the actual following distance. (paper)

  1. Post-transition state dynamics and product energy partitioning following thermal excitation of the F∙∙∙HCH2 CN transition state: Disagreement with experiment

    Energy Technology Data Exchange (ETDEWEB)

    Pratihar, Subha [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ma, Xinyou [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Xie, Jing [Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA; Scott, Rebecca [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Gao, Eric [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; Ruscic, Branko [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA and Computation Institute, University of Chicago, Chicago, Illinois 60637, USA; Aquino, Adelia J. A. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA; School of Pharmaceutical Science and Technology, Tianjin University, Tianjin 300072, People’s Republic of China; Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Setser, Donald W. [Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria; Hase, William L. [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA

    2017-10-14

    Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. In accord with experiment and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F-HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST for the simulation. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN-HF post-reaction potential energy well of ~10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed, with the majority involving direct dissociation and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. From the simulations and with an anharmonic zero-point energy constraint, the percentage partitioning of the product energy to relative translation, HF rotation, HF vibration, CH2CN rotation and CH2CN vibration is 5, 11, 60, 7, and 16%, respectively. In contrast the experimental energy partitioning percentages to HF rotation and vibration are 6 and 41%. Comparisons are made between the current simulation and those for other F + H

  2. Transition by breaking of analyticity in the ground state of Josephson junction arrays as a static signature of the vortex jamming transition

    KAUST Repository

    Nogawa, Tomoaki

    2012-05-22

    We investigate the ground state of the irrationally frustrated Josephson junction array with a controlling anisotropy parameter λ that is the ratio of the longitudinal Josephson coupling to the transverse one. We find that the ground state has one-dimensional periodicity whose reciprocal lattice vector depends on λ and is incommensurate with the substrate lattice. Approaching the isotropic point λ=1, the so-called hull function of the ground state exhibits analyticity breaking similar to the Aubry transition in the Frenkel-Kontorova model. We find a scaling law for the harmonic spectrum of the hull functions, which suggests the existence of a characteristic length scale diverging at the isotropic point. This critical behavior is directly connected to the jamming transition previously observed in the current-voltage characteristics by a numerical simulation. On top of the ground state there is a gapless continuous band of metastable states, which exhibit the same critical behavior as the ground state. © 2012 American Physical Society.

  3. Insights from the structure of a smallpox virus topoisomerase-DNA transition state mimic

    Science.gov (United States)

    Perry, Kay; Hwang, Young; Bushman, Frederic D.; Van Duyne, Gregory D.

    2010-01-01

    Summary Poxviruses encode their own type IB topoisomerases (TopIBs) which release superhelical tension generated by replication and transcription of their genomes. To investigate the reaction catalyzed viral TopIBs, we have determined the structure of a variola virus topoisomerase-DNA complex trapped as a vanadate transition state mimic. The structure reveals how the viral TopIB enzymes are likely to position the DNA duplex for ligation following relaxation of supercoils and identifies the sources of friction observed in single molecule experiments that argue against free rotation. The structure also identifies a conformational change in the leaving group sugar that must occur prior to cleavage and reveals a mechanism for promoting ligation following relaxation of supercoils that involves a novel Asp-minor groove interaction. Overall, the new structural data support a common catalytic mechanism for the TopIB superfamily but indicate distinct methods for controlling duplex rotation in the small vs. large enzyme subfamilies. PMID:20152159

  4. Phase Transition in the Density of States of Quantum Spin Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Erdős, László, E-mail: lerdos@ist.ac.at [IST Austria (Austria); Schröder, Dominik, E-mail: schroeder.dominik@gmail.com [Ludwig-Maximilians-Universität München (Germany)

    2014-12-15

    We prove that the empirical density of states of quantum spin glasses on arbitrary graphs converges to a normal distribution as long as the maximal degree is negligible compared with the total number of edges. This extends the recent results of Keating et al. (2014) that were proved for graphs with bounded chromatic number and with symmetric coupling distribution. Furthermore, we generalise the result to arbitrary hypergraphs. We test the optimality of our condition on the maximal degree for p-uniform hypergraphs that correspond to p-spin glass Hamiltonians acting on n distinguishable spin- 1/2 particles. At the critical threshold p = n{sup 1/2} we find a sharp classical-quantum phase transition between the normal distribution and the Wigner semicircle law. The former is characteristic to classical systems with commuting variables, while the latter is a signature of noncommutative random matrix theory.

  5. Radiation and penetration matrix elements for magnetic quadrupole transitions between Nilsson states in odd nuclei

    International Nuclear Information System (INIS)

    Feresin, A.P.; Guseva, I.S.

    1984-01-01

    Single-particle matrix elements for magnetic quadrupole gamma radiation in odd deformed nuclei, calculated with the aid of Nilsson-potential wave functions, are presented. Also given are the internal conversion penetration matrix elements, calculated in the same manner. The penetration matrix elements are needed to estimate the nuclear penetration parameter, which determines the deviation of experimental internal conversion coefficients from their standard values given in tables. Matrix elements are given for transitions between all pairs of Nilsson single-particle states with ΔN = 1 and ΔK = 0, 1, and 2 for the nuclear shells with 4< or =N< or =7 and for the two deformation values epsilon = 0.2 and 0.3

  6. Laboratory Observation of a Plasma-Flow-State Transition from Diverging to Stretching a Magnetic Nozzle.

    Science.gov (United States)

    Takahashi, Kazunori; Ando, Akira

    2017-06-02

    An axial magnetic field induced by a plasma flow in a divergent magnetic nozzle is measured when injecting the plasma flow from a radio frequency (rf) plasma source located upstream of the nozzle. The source is operated with a pulsed rf power of 5 kW, and the high density plasma flow is sustained only for the initial ∼100  μsec of the discharge. The measurement shows a decrease in the axial magnetic field near the source exit, whereas an increase in the field is detected at the downstream side of the magnetic nozzle. These results demonstrate a spatial transition of the plasma-flow state from diverging to stretching the magnetic nozzle, where the importance of both the Alfvén and ion Mach numbers is shown.

  7. Ground state oxygen holes and the metal-insulator transition in rare earth nickelates

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, Thorsten; Bisogni, Valentina; Huang, Yaobo; Strocov, Vladimir [Research Department Synchrotron Radiation and Nanotechnology, Paul Scherrer Institut, CH-5232 Villigen PSI (Switzerland); Catalano, Sara; Gibert, Marta; Scherwitzl, Raoul; Zubko, Pavlo; Triscone, Jean-Marc [Departement de Physique de la Matiere Condensee, University of Geneva (Switzerland); Green, Robert J.; Balandeh, Shadi; Sawatzky, George [Department of Physics and Astronomy, University of British Columbia, Vancouver (Canada)

    2015-07-01

    Perovskite rare-earth (Re) nickelates ReNiO{sub 3} continue to attract a lot of interest owing to their intriguing properties like a sharp metal to insulator transition (MIT), unusual magnetic order and expected superconductivity in specifically tuned super-lattices. Full understanding of these materials, however, is hampered by the difficulties in describing their electronic ground state (GS). From X-ray absorption (XAS) at the Ni 2p{sub 3/2} edge of thin films of NdNiO{sub 3} and corresponding RIXS maps vs. incident and transferred photon energies we reveal that the electronic GS configuration of NdNiO{sub 3} is composed of delocalized and localized components. Our study conveys that a Ni 3d{sup 8}-like configuration with holes at oxygen takes on the leading role in the GS and the MIT of ReNiO{sub 3} as proposed by recent model theories.

  8. A state-and-transition simulation modeling approach for estimating the historical range of variability

    Directory of Open Access Journals (Sweden)

    Kori Blankenship

    2015-04-01

    Full Text Available Reference ecological conditions offer important context for land managers as they assess the condition of their landscapes and provide benchmarks for desired future conditions. State-and-transition simulation models (STSMs are commonly used to estimate reference conditions that can be used to evaluate current ecosystem conditions and to guide land management decisions and activities. The LANDFIRE program created more than 1,000 STSMs and used them to assess departure from a mean reference value for ecosystems in the United States. While the mean provides a useful benchmark, land managers and researchers are often interested in the range of variability around the mean. This range, frequently referred to as the historical range of variability (HRV, offers model users improved understanding of ecosystem function, more information with which to evaluate ecosystem change and potentially greater flexibility in management options. We developed a method for using LANDFIRE STSMs to estimate the HRV around the mean reference condition for each model state in ecosystems by varying the fire probabilities. The approach is flexible and can be adapted for use in a variety of ecosystems. HRV analysis can be combined with other information to help guide complex land management decisions.

  9. Energy-efficient algorithm for classification of states of wireless sensor network using machine learning methods

    Science.gov (United States)

    Yuldashev, M. N.; Vlasov, A. I.; Novikov, A. N.

    2018-05-01

    This paper focuses on the development of an energy-efficient algorithm for classification of states of a wireless sensor network using machine learning methods. The proposed algorithm reduces energy consumption by: 1) elimination of monitoring of parameters that do not affect the state of the sensor network, 2) reduction of communication sessions over the network (the data are transmitted only if their values can affect the state of the sensor network). The studies of the proposed algorithm have shown that at classification accuracy close to 100%, the number of communication sessions can be reduced by 80%.

  10. Evaluation of the operational efficiency of pacifying police units in the state of Rio de Janeiro

    Directory of Open Access Journals (Sweden)

    Igor Rosa Dias de Jesus

    2014-05-01

    Full Text Available The Pacification Police Unit (UPP is a new model for public security and policing, aimed at ensuring local security and, above all, reduce, or even, extinguish violent crime linked to drug trafficking, and approach people and police. The purpose of this article is measuring the operational efficiency of all UPPs installed in the state of Rio de Janeiro by the beginning of 2011 by Data Envelopment Analysis (DEA. For this, it was used the CCR model – input-oriented – developed by Charnes, Cooper and Rhodes, which allows an objective assessment of the overall efficiency, identifying the sources of inefficiencies and the needed targets to achieve the efficiency in each UPP. The results converge to a reduction of the amount of policemen in all communities out of the efficiency frontier.

  11. Prediction of monomer reactivity in radical copolymerizations from transition state quantum chemical descriptors

    Directory of Open Access Journals (Sweden)

    Zhengde Tan

    2013-01-01

    Full Text Available In comparison with the Q-e scheme, the Revised Patterns Scheme: the U, V Version (the U-V scheme has greatly improved both its accessibility and its accuracy in interpreting and predicting the reactivity of a monomer in free-radical copolymerizations. Quantitative structure-activity relationship (QSAR models were developed to predict the reactivity parameters u and v of the U-V scheme, by applying genetic algorithm (GA and support vector machine (SVM techniques. Quantum chemical descriptors used for QSAR models were calculated from transition state species with structures C¹H3 - C²HR³• or •C¹H2 - C²H2R³ (formed from vinyl monomers C¹H²=C²HR³ + H•, using density functional theory (DFT, at the UB3LYP level of theory with 6-31G(d basis set. The optimum support vector regression (SVR model of the reactivity parameter u based on Gaussian radial basis function (RBF kernel (C = 10, ε = 10- 5 and γ = 1.0 produced root-mean-square (rms errors for the training, validation and prediction sets being 0.220, 0.326 and 0.345, respectively. The optimal SVR model for v with the RBF kernel (C = 20, ε = 10- 4 and γ = 1.2 produced rms errors for the training set of 0.123, the validation set of 0.206 and the prediction set of 0.238. The feasibility of applying the transition state quantum chemical descriptors to develop SVM models for reactivity parameters u and v in the U-V scheme has been demonstrated.

  12. Linking state-and-transition simulation and timber supply models for forest biomass production scenarios

    Directory of Open Access Journals (Sweden)

    Jennifer K. Costanza

    2015-03-01

    Full Text Available We linked state-and-transition simulation models (STSMs with an economics-based timber supply model to examine landscape dynamics in North Carolina through 2050 for three scenarios of forest biomass production. Forest biomass could be an important source of renewable energy in the future, but there is currently much uncertainty about how biomass production would impact landscapes. In the southeastern US, if forests become important sources of biomass for bioenergy, we expect increased land-use change and forest management. STSMs are ideal for simulating these landscape changes, but the amounts of change will depend on drivers such as timber prices and demand for forest land, which are best captured with forest economic models. We first developed state-and-transition model pathways in the ST-Sim software platform for 49 vegetation and land-use types that incorporated each expected type of landscape change. Next, for the three biomass production scenarios, the SubRegional Timber Supply Model (SRTS was used to determine the annual areas of thinning and harvest in five broad forest types, as well as annual areas converted among those forest types, agricultural, and urban lands. The SRTS output was used to define area targets for STSMs in ST-Sim under two scenarios of biomass production and one baseline, business-as-usual scenario. We show that ST-Sim output matched SRTS targets in most cases. Landscape dynamics results indicate that, compared with the baseline scenario, forest biomass production leads to more forest and, specifically, more intensively managed forest on the landscape by 2050. Thus, the STSMs, informed by forest economics models, provide important information about potential landscape effects of bioenergy production.

  13. Using state-and-transition modeling to account for imperfect detection in invasive species management

    Science.gov (United States)

    Frid, Leonardo; Holcombe, Tracy; Morisette, Jeffrey T.; Olsson, Aaryn D.; Brigham, Lindy; Bean, Travis M.; Betancourt, Julio L.; Bryan, Katherine

    2013-01-01

    Buffelgrass, a highly competitive and flammable African bunchgrass, is spreading rapidly across both urban and natural areas in the Sonoran Desert of southern and central Arizona. Damages include increased fire risk, losses in biodiversity, and diminished revenues and quality of life. Feasibility of sustained and successful mitigation will depend heavily on rates of spread, treatment capacity, and cost–benefit analysis. We created a decision support model for the wildland–urban interface north of Tucson, AZ, using a spatial state-and-transition simulation modeling framework, the Tool for Exploratory Landscape Scenario Analyses. We addressed the issues of undetected invasions, identifying potentially suitable habitat and calibrating spread rates, while answering questions about how to allocate resources among inventory, treatment, and maintenance. Inputs to the model include a state-and-transition simulation model to describe the succession and control of buffelgrass, a habitat suitability model, management planning zones, spread vectors, estimated dispersal kernels for buffelgrass, and maps of current distribution. Our spatial simulations showed that without treatment, buffelgrass infestations that started with as little as 80 ha (198 ac) could grow to more than 6,000 ha by the year 2060. In contrast, applying unlimited management resources could limit 2060 infestation levels to approximately 50 ha. The application of sufficient resources toward inventory is important because undetected patches of buffelgrass will tend to grow exponentially. In our simulations, areas affected by buffelgrass may increase substantially over the next 50 yr, but a large, upfront investment in buffelgrass control could reduce the infested area and overall management costs.

  14. Linking state-and-transition simulation and timber supply models for forest biomass production scenarios

    Science.gov (United States)

    Costanza, Jennifer; Abt, Robert C.; McKerrow, Alexa; Collazo, Jaime

    2015-01-01

    We linked state-and-transition simulation models (STSMs) with an economics-based timber supply model to examine landscape dynamics in North Carolina through 2050 for three scenarios of forest biomass production. Forest biomass could be an important source of renewable energy in the future, but there is currently much uncertainty about how biomass production would impact landscapes. In the southeastern US, if forests become important sources of biomass for bioenergy, we expect increased land-use change and forest management. STSMs are ideal for simulating these landscape changes, but the amounts of change will depend on drivers such as timber prices and demand for forest land, which are best captured with forest economic models. We first developed state-and-transition model pathways in the ST-Sim software platform for 49 vegetation and land-use types that incorporated each expected type of landscape change. Next, for the three biomass production scenarios, the SubRegional Timber Supply Model (SRTS) was used to determine the annual areas of thinning and harvest in five broad forest types, as well as annual areas converted among those forest types, agricultural, and urban lands. The SRTS output was used to define area targets for STSMs in ST-Sim under two scenarios of biomass production and one baseline, business-as-usual scenario. We show that ST-Sim output matched SRTS targets in most cases. Landscape dynamics results indicate that, compared with the baseline scenario, forest biomass production leads to more forest and, specifically, more intensively managed forest on the landscape by 2050. Thus, the STSMs, informed by forest economics models, provide important information about potential landscape effects of bioenergy production.

  15. The Efficiency and Public Transport Accessibility of Indirect State Administration in the Czech Republic

    Directory of Open Access Journals (Sweden)

    Vrabková Iveta

    2016-06-01

    Full Text Available This paper examines the efficiency and public transport accessibility of indirect (devolved state administration performed by municipalities with extended powers (hereinafter MEPs in the Czech Republic. Our aim is to evaluate the efficiency of the revenues made by municipalities with extended powers, through performing powers delegated to them by the state administration, and those municipalities’ public transport accessibility as of 31 December, 2014. The rate of efficiency is tested on an output-oriented Free Disposable Hull model. One input variable is selected - the operating expenses of the municipal offices recalculated per inhabitant of the municipality’s administrative district - and two output variables are selected: contribution to the performance of state administration, recalculated per inhabitant of the municipality’s administrative district, and revenues from administrative fees per inhabitant of the municipality’s administrative district. The municipality’s offices’ transport accessibility is evaluated via network analysis using ArcGIS software. The article investigates the hypothesis that public administration deconcentration practices logically result in higher security costs and therefore inefficiency. The results reveal that only 66 of the country’s 205 MEPs are efficient and that operating expenses and state contributions for the performance of state administrative tasks play a significant role in these results. Efficiency is less significantly influenced by administrative fee revenues. Public transport accessibility is analyzed for two time intervals - 6:00 to 8:00 am and 1:00 to 2:00 pm - on Tuesdays. The degree of accessibility is defined using a six-point scale of accessibility. The results show that the best accessibility is in the morning hours, when the offices are accessible for 68.8% of the population aged 15+ in the Czech Republic; the worst accessibility is in the afternoon hours when only 2% of the

  16. Efficiency of health care system at the sub-state level in Madhya Pradesh, India.

    Science.gov (United States)

    Purohit, Brijesh C

    2010-01-01

    This paper attempts a sub-state-level analysis of health system for a low-income Indian state, namely, Madhya Pradesh. The objective of our study is to establish efficiency parameters that may help health policy makers to improve district-level and thus state-level health system performance. It provides an idealized yardstick to evaluate the performance of the health sector by using stochastic frontier technique. The study was carried out in two stages of estimation, and our results suggest that life expectancy in the Indian state could be enhanced considerably by correcting the factors that are adversely influencing sub-state-level health system efficiency. Our results indicate that main factors within the health system for discrepancy in interdistrict performance are inequitable distribution of supplies, availability of skilled attention at birth, and inadequate staffing relative to patient load of rural population at primary health centers. Overcoming these factors through additional resources in the deficient districts, mobilized partly from grants in aid and partly from patient welfare societies, may help the state to improve life expectancy speedily and more equitably. Besides the direct inputs from the health sector, a more conducive environment for gender development, reducing inequality in opportunities for women in health, education and other rights may provide the necessary impetus towards reducing maternal morbidity and mortality and add to overall life expectancy in the state.

  17. A Mulit-State Model for Catalyzing the Home Energy Efficiency Market

    Energy Technology Data Exchange (ETDEWEB)

    Blackmon, Glenn

    2014-03-25

    The RePower Kitsap partnership sought to jump-start the market for energy efficiency upgrades in Kitsap County, an underserved market on Puget Sound in Washington State. The Washington State Department of Commerce partnered with Washington State University (WSU) Energy Program to supplement and extend existing utility incentives offered by Puget Sound Energy (PSE) and Cascade Natural Gas and to offer energy efficiency finance options through the Kitsap Credit Union and Puget Sound Cooperative Credit Union (PSCCU). RePower Kitsap established a coordinated approach with a second Better Buildings Neighborhood Program project serving the two largest cities in the county – Bainbridge Island and Bremerton. These two projects shared both the “RePower” brand and implementation team (Conservation Services Group (CSG) and Earth Advantage).

  18. Preferential treatment in transition economy the case of state-owned enterprises in the textile and garment industry in Vietnam

    OpenAIRE

    Knutsen, Hege Merete; Nguyen, Cuong Manh

    2004-01-01

    The article examines the role and contribution of preferential treatment of state enterprises to growth in the textile and garment industry. State enterprises are still the largest single sector in the textile and garment industry in Vietnam, but are losing market shares to private Vietnamese enterprises and foreign-owned enterprises despite the benefits that they enjoy. However, in the present context of economic transition and keen competition in the global market, well-managed state enterp...

  19. Comparative Analysis of Light-Harvesting Antennae and State Transition in chlorina and cpSRP Mutants1[OPEN

    Science.gov (United States)

    Wang, Peng

    2016-01-01

    State transitions in photosynthesis provide for the dynamic allocation of a mobile fraction of light-harvesting complex II (LHCII) to photosystem II (PSII) in state I and to photosystem I (PSI) in state II. In the state I-to-state II transition, LHCII is phosphorylated by STN7 and associates with PSI to favor absorption cross-section of PSI. Here, we used Arabidopsis (Arabidopsis thaliana) mutants with defects in chlorophyll (Chl) b biosynthesis or in the chloroplast signal recognition particle (cpSRP) machinery to study the flexible formation of PS-LHC supercomplexes. Intriguingly, we found that impaired Chl b biosynthesis in chlorina1-2 (ch1-2) led to preferentially stabilized LHCI rather than LHCII, while the contents of both LHCI and LHCII were equally depressed in the cpSRP43-deficient mutant (chaos). In view of recent findings on the modified state transitions in LHCI-deficient mutants (Benson et al., 2015), the ch1-2 and chaos mutants were used to assess the influence of varying LHCI/LHCII antenna size on state transitions. Under state II conditions, LHCII-PSI supercomplexes were not formed in both ch1-2 and chaos plants. LHCII phosphorylation was drastically reduced in ch1-2, and the inactivation of STN7 correlates with the lack of state transitions. In contrast, phosphorylated LHCII in chaos was observed to be exclusively associated with PSII complexes, indicating a lack of mobile LHCII in chaos. Thus, the comparative analysis of ch1-2 and chaos mutants provides new evidence for the flexible organization of LHCs and enhances our understanding of the reversible allocation of LHCII to the two photosystems. PMID:27663408

  20. Comparative Analysis of Light-Harvesting Antennae and State Transition in chlorina and cpSRP Mutants.

    Science.gov (United States)

    Wang, Peng; Grimm, Bernhard

    2016-11-01

    State transitions in photosynthesis provide for the dynamic allocation of a mobile fraction of light-harvesting complex II (LHCII) to photosystem II (PSII) in state I and to photosystem I (PSI) in state II. In the state I-to-state II transition, LHCII is phosphorylated by STN7 and associates with PSI to favor absorption cross-section of PSI. Here, we used Arabidopsis (Arabidopsis thaliana) mutants with defects in chlorophyll (Chl) b biosynthesis or in the chloroplast signal recognition particle (cpSRP) machinery to study the flexible formation of PS-LHC supercomplexes. Intriguingly, we found that impaired Chl b biosynthesis in chlorina1-2 (ch1-2) led to preferentially stabilized LHCI rather than LHCII, while the contents of both LHCI and LHCII were equally depressed in the cpSRP43-deficient mutant (chaos). In view of recent findings on the modified state transitions in LHCI-deficient mutants (Benson et al., 2015), the ch1-2 and chaos mutants were used to assess the influence of varying LHCI/LHCII antenna size on state transitions. Under state II conditions, LHCII-PSI supercomplexes were not formed in both ch1-2 and chaos plants. LHCII phosphorylation was drastically reduced in ch1-2, and the inactivation of STN7 correlates with the lack of state transitions. In contrast, phosphorylated LHCII in chaos was observed to be exclusively associated with PSII complexes, indicating a lack of mobile LHCII in chaos Thus, the comparative analysis of ch1-2 and chaos mutants provides new evidence for the flexible organization of LHCs and enhances our understanding of the reversible allocation of LHCII to the two photosystems. © 2016 American Society of Plant Biologists. All Rights Reserved.

  1. Energy-Efficient Power Allocation for Fixed-Gain Amplify-and-Forward Relay Networks with Partial Channel State Information

    KAUST Repository

    Zafar, Ammar; Alouini, Mohamed-Slim; Chen, Yunfei; Radaydeh, Redha M.

    2012-01-01

    In this letter, energy-efficient transmission and power allocation for fixed-gain amplify-and-forward relay networks with partial channel state information (CSI) are studied. In the energy-efficiency problem, the total power consumed is minimized

  2. Generalized transition state theory. Quantum effects for collinear reactions of hydrogen molecules and isotopically substituted hydrogen molecules

    International Nuclear Information System (INIS)

    Garrett, B.C.; Truhlar, D.G.

    1979-01-01

    Canonical variational transition state theory, microcanonical variational transition state theory, and Miller's unified statistical theory were used in an attempt to correct two major deficiencies of the conventional transition state theory. These are: (1) the necessity of extra assumptions to include quantum mechanical tunneling effects and (2) the fundamental assumption that trajectories crossing a dividing surface in phase space proceed directly to products. The accuracy of these approximate methods were tested by performing calculations for several collinear reactions of hydrogen, deuterium, chlorine, or iodine, with five isotopes of hydrogen molecules and comparison of these results with those from accurate quantitative calculations of the reaction probabilities as functions of energy and of the thermal rate constants as functions of temperature. 49 references, 28 figures, 17 tables

  3. Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Lipi Thukral

    2011-09-01

    Full Text Available Small globular proteins and peptides commonly exhibit two-state folding kinetics in which the rate limiting step of folding is the surmounting of a single free energy barrier at the transition state (TS separating the folded and the unfolded states. An intriguing question is whether the polypeptide chain reaches, and leaves, the TS by completely random fluctuations, or whether there is a directed, stepwise process. Here, the folding TS of a 15-residue β-hairpin peptide, Peptide 1, is characterized using independent 2.5 μs-long unbiased atomistic molecular dynamics (MD simulations (a total of 15 μs. The trajectories were started from fully unfolded structures. Multiple (spontaneous folding events to the NMR-derived conformation are observed, allowing both structural and dynamical characterization of the folding TS. A common loop-like topology is observed in all the TS structures with native end-to-end and turn contacts, while the central segments of the strands are not in contact. Non-native sidechain contacts are present in the TS between the only tryptophan (W11 and the turn region (P7-G9. Prior to the TS the turn is found to be already locked by the W11 sidechain, while the ends are apart. Once the ends have also come into contact, the TS is reached. Finally, along the reactive folding paths the cooperative loss of the W11 non-native contacts and the formation of the central inter-strand native contacts lead to the peptide rapidly proceeding from the TS to the native state. The present results indicate a directed stepwise process to folding the peptide.

  4. Chromosome VIII disomy influences the nonsense suppression efficiency and transition metal tolerance of the yeast Saccharomyces cerevisiae.

    Science.gov (United States)

    Zadorsky, S P; Sopova, Y V; Andreichuk, D Y; Startsev, V A; Medvedeva, V P; Inge-Vechtomov, S G

    2015-06-01

    The SUP35 gene of the yeast Saccharomyces cerevisiae encodes the translation termination factor eRF3. Mutations in this gene lead to the suppression of nonsense mutations and a number of other pleiotropic phenotypes, one of which is impaired chromosome segregation during cell division. Similar effects result from replacing the S. cerevisiae SUP35 gene with its orthologues. A number of genetic and epigenetic changes that occur in the sup35 background result in partial compensation for this suppressor effect. In this study we showed that in S. cerevisiae strains in which the SUP35 orthologue from the yeast Pichia methanolica replaces the S. cerevisiae SUP35 gene, chromosome VIII disomy results in decreased efficiency of nonsense suppression. This antisuppressor effect is not associated with decreased stop codon read-through. We identified SBP1, a gene that localizes to chromosome VIII, as a dosage-dependent antisuppressor that strongly contributes to the overall antisuppressor effect of chromosome VIII disomy. Disomy of chromosome VIII also leads to a change in the yeast strains' tolerance of a number of transition metal salts. Copyright © 2015 John Wiley & Sons, Ltd.

  5. Compact-Nanobox Engineering of Transition Metal Oxides with Enhanced Initial Coulombic Efficiency for Lithium-Ion Battery Anodes.

    Science.gov (United States)

    Zhu, Yanfei; Hu, Aiping; Tang, Qunli; Zhang, Shiying; Deng, Weina; Li, Yanhua; Liu, Zheng; Fan, Binbin; Xiao, Kuikui; Liu, Jilei; Chen, Xiaohua

    2018-03-14

    A novel strategy is proposed to construct a compact-nanobox (CNB) structure composed of irregular nanograins (average diameter ≈ 10 nm), aiming to confine the electrode-electrolyte contact area and enhance initial Coulombic efficiency (ICE) of transition metal oxide (TMO) anodes. To demonstrate the validity of this attempt, CoO-CNB is taken as an example which is synthesized via a carbothermic reduction method. Benefiting from the compact configuration, electrolyte can only contact the outer surface of the nanobox, keeping the inner CoO nanograins untouched. Therefore, the solid electrolyte interphase (SEI) formation is reduced. Furthermore, the internal cavity leaves enough room for volume variation upon lithiation and delithiation, resulting in superior mechanical stability of the CNB structure and less generation of fresh SEI. Consequently, the SEI remains stable and spatially confined without degradation, and hence, the CoO-CNB electrode delivers an enhanced ICE of 82.2%, which is among the highest values reported for TMO-based anodes in lithium-ion batteries. In addition, the CoO-CNB electrode also demonstrates excellent cyclability with a reversible capacity of 811.6 mA h g -1 (90.4% capacity retention after 100 cycles). These findings open up a new way to design high-ICE electrodes and boost the practical application of TMO anodes.

  6. Transit Marketing : Review of the State-of-the-Art and a Handbook of Current Practice

    Science.gov (United States)

    1985-04-01

    Over the past decade, marketing has been given increased emphasis as a way to improve both transit rideship and productivity. While there is near universal agreement among transit managers that some level of marketing is necessary, there is far from ...

  7. Universal Trade-Off between Power, Efficiency, and Constancy in Steady-State Heat Engines

    Science.gov (United States)

    Pietzonka, Patrick; Seifert, Udo

    2018-05-01

    Heat engines should ideally have large power output, operate close to Carnot efficiency and show constancy, i.e., exhibit only small fluctuations in this output. For steady-state heat engines, driven by a constant temperature difference between the two heat baths, we prove that out of these three requirements only two are compatible. Constancy enters quantitatively the conventional trade-off between power and efficiency. Thus, we rationalize and unify recent suggestions for overcoming this simple trade-off. Our universal bound is illustrated for a paradigmatic model of a quantum dot solar cell and for a Brownian gyrator delivering mechanical work against an external force.

  8. Efficient decoding with steady-state Kalman filter in neural interface systems.

    Science.gov (United States)

    Malik, Wasim Q; Truccolo, Wilson; Brown, Emery N; Hochberg, Leigh R

    2011-02-01

    The Kalman filter is commonly used in neural interface systems to decode neural activity and estimate the desired movement kinematics. We analyze a low-complexity Kalman filter implementation in which the filter gain is approximated by its steady-state form, computed offline before real-time decoding commences. We evaluate its performance using human motor cortical spike train data obtained from an intracortical recording array as part of an ongoing pilot clinical trial. We demonstrate that the standard Kalman filter gain converges to within 95% of the steady-state filter gain in 1.5±0.5 s (mean ±s.d.). The difference in the intended movement velocity decoded by the two filters vanishes within 5 s, with a correlation coefficient of 0.99 between the two decoded velocities over the session length. We also find that the steady-state Kalman filter reduces the computational load (algorithm execution time) for decoding the firing rates of 25±3 single units by a factor of 7.0±0.9. We expect that the gain in computational efficiency will be much higher in systems with larger neural ensembles. The steady-state filter can thus provide substantial runtime efficiency at little cost in terms of estimation accuracy. This far more efficient neural decoding approach will facilitate the practical implementation of future large-dimensional, multisignal neural interface systems.

  9. Dark states and delocalization: Competing effects of quantum coherence on the efficiency of light harvesting systems.

    Science.gov (United States)

    Hu, Zixuan; Engel, Gregory S; Alharbi, Fahhad H; Kais, Sabre

    2018-02-14

    Natural light harvesting systems exploit electronic coupling of identical chromophores to generate efficient and robust excitation transfer and conversion. Dark states created by strong coupling between chromophores in the antenna structure can significantly reduce radiative recombination and enhance energy conversion efficiency. Increasing the number of the chromophores increases the number of dark states and the associated enhanced energy conversion efficiency yet also delocalizes excitations away from the trapping center and reduces the energy conversion rate. Therefore, a competition between dark state protection and delocalization must be considered when designing the optimal size of a light harvesting system. In this study, we explore the two competing mechanisms in a chain-structured antenna and show that dark state protection is the dominant mechanism, with an intriguing dependence on the parity of the number of chromophores. This dependence is linked to the exciton distribution among eigenstates, which is strongly affected by the coupling strength between chromophores and the temperature. Combining these findings, we propose that increasing the coupling strength between the chromophores can significantly increase the power output of the light harvesting system.

  10. REMOVAL EFFICIENCY OF ORGANIC MATTER OF PIG SLURRY WITH BIODIGESTERS IN YUCATAN STATE, MEXICO

    Directory of Open Access Journals (Sweden)

    W. Trejo-Lizama

    2014-08-01

    Full Text Available In the intensive pig production in the state of Yucatan, 62 biodigesters were installed in the last 10 years. However, the complexities of the anaerobic biodigestion enclose difficulties to reach the expected efficiency. The objective of the present study was to determine the removal efficiency of the organic matter in pig slurry using biodigesters in the state of Yucatan. There were visited 15 pig farms in the state of Yucatan to interview the farmer about the management of the farm and the waste disposal and to take samples of the influent of the collector of the pig slurry and the effluent of the biodigestor and evaluating the samples by laboratory analysis. The removal values found in the present study were 7 percentage points below the reference value of total volatile solids, which represent the organic matter fraction of the solids treated in the biodigestor. More than the 50 % of the farms evaluated were similar or higher than the parameters of reference. The removal efficiency of the organic matter in the pig slurry by biodigesters in the state of Yucatan is close to the reference values. However complementary treatments are necessary to continue the waste slurry treatment.

  11. A harmonic transition state theory model for defect initiation in crystals

    International Nuclear Information System (INIS)

    Delph, T J; Cao, P; Park, H S; Zimmerman, J A

    2013-01-01

    We outline here a model for the initiation of defects in crystals based upon harmonic transition state theory (hTST). This model combines a previously developed model for zero-temperature defect initiation with a multi-dimensional hTST model that is capable of accurately predicting the effects of temperature and loading rate upon defect initiation. The model has several features that set it apart from previous efforts along these lines, most notably a straightforward method of determining the energy barrier between adjacent equilibrium states that does not depend upon a priori information concerning the nature of the defect. We apply the model to two examples, triaxial stretching of a perfect fcc crystal and nanoindentation of a gold substrate. Very good agreement is found between the predictions of the model and independent molecular dynamics (MD) simulations. Among other things, the model predicts a strong dependence of the defect initiation behavior upon the loading parameter. A very attractive feature of this model is that it is valid for arbitrarily slow loading rates, in particular loading rates achievable in the laboratory, and suffers from none of the limitations in this regard inherent in MD simulations. (paper)

  12. Orbit covariance propagation via quadratic-order state transition matrix in curvilinear coordinates

    Science.gov (United States)

    Hernando-Ayuso, Javier; Bombardelli, Claudio

    2017-09-01

    In this paper, an analytical second-order state transition matrix (STM) for relative motion in curvilinear coordinates is presented and applied to the problem of orbit uncertainty propagation in nearly circular orbits (eccentricity smaller than 0.1). The matrix is obtained by linearization around a second-order analytical approximation of the relative motion recently proposed by one of the authors and can be seen as a second-order extension of the curvilinear Clohessy-Wiltshire (C-W) solution. The accuracy of the uncertainty propagation is assessed by comparison with numerical results based on Monte Carlo propagation of a high-fidelity model including geopotential and third-body perturbations. Results show that the proposed STM can greatly improve the accuracy of the predicted relative state: the average error is found to be at least one order of magnitude smaller compared to the curvilinear C-W solution. In addition, the effect of environmental perturbations on the uncertainty propagation is shown to be negligible up to several revolutions in the geostationary region and for a few revolutions in low Earth orbit in the worst case.

  13. Bus Rapid Transit and Socioeconomic Condition of Bus Commuters in Lagos State

    Directory of Open Access Journals (Sweden)

    Owolabi L. Kuye

    2017-10-01

    Full Text Available Road transport is one of the most common means of transportation across the world. Bus transportation in Nigeria had witnessed many problems for the past decades considering the growing population with the attendant loss of lives and properties in most cities like Lagos in Nigeria. This paper focuses on the adequacy of services provided by Bus Rapid Transit (BRT in Lagos State with respect to the extent to which it influences the socioeconomic conditions of bus commuters. It examines the effect of services rendered by BRT on cost reduction potential, income and safety. Multistage sampling technique was used to select 20 samples each from all respondents in all local government area in Lagos State to reach a total of three hundred and thirty (330 samples. The data collection instrument was the questionnaire which was validated. Data collected were analysed with the use of descriptive statistics such as means, percentages and standard deviation and inferential statistics such as regression and analysis of variance techniques. Findings showed that BRT services has reduced the cost of bus commuters and also increased safety and security thereby increasing the socioeconomic condition of Lagosians. The study recommends improvements in BRT services through the deployment of technology as it had been used in developed countries.

  14. Study of oxidation states of the transition metals in a series of Prussian blue analogs using x-ray absorption near edge structure (XANES) spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Adak, S. [Department of Physics, New Mexico State University, Las Cruces, NM, 88003 (United States); Hartl, M., E-mail: monika.hartl@esss.se [European Spallation Source ESS AB, 22100, Lund (Sweden); Manuel Lujan Jr. Neutron Scattering Center (LANSCE-LC), Los Alamos National Laboratory, Los Alamos, NM, 87545 (United States); Daemen, L. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN, 37830 (United States); Manuel Lujan Jr. Neutron Scattering Center (LANSCE-LC), Los Alamos National Laboratory, Los Alamos, NM, 87545 (United States); Fohtung, E.; Nakotte, H. [Department of Physics, New Mexico State University, Las Cruces, NM, 88003 (United States)

    2017-01-15

    Highlights: • Systematic XANES measurements on Prussian blue analogs shows oxidation state of transition metals. • Cobal-iron bimetallic hexacyanometallates show unexpected oxidation states. • Iron(II) ions in hexacyanometallates(III) show varying spin state depending on their bond to the “N” end or “C” end of the cyanide ligand. • Thermal expansion coefficients have been linked to the XANES results. - Abstract: There have been renewed interests in metal-organic framework classes of materials such as Prussian blue analogues (PBAs) due to their potential usage in energy storage applications. In particular, due to their high surface areas, controllable structures and excellent electrochemical properties, PBAs such as hexacyanometalates M{sup II}{sub 3}[A{sup III}(CN){sub 6}]{sub 2*}nH{sub 2}O (M = Mn, Fe, Co, Ni, Cu, Zn; A = Co, Fe, Cr; n = no. of water molecules present), M{sup II}{sub 2}[Fe{sup II}(CN){sub 6}]{sub 2*}nH{sub 2}O (M = Mn, Co, Ni, Cu, Zn) and mixed hexacyanometalates(III) (Fe{sub 1-x}Co{sub x}){sub 3}[B{sup III}(CN){sub 6}]{sub 2}·nH{sub 2}O (x = 0.25, 0.5, 0.75; B = Co, Fe) could have possible usage as a new class of cathode and even anode materials for rechargeable batteries. Detailed knowledge of the oxidation states of the transition metals in PBAs is required to improve efficiency and durability of such devices. Furthermore, a link between the thermal expansion observed in these materials and the oxidation state of the transition metal is of interest to synthesize materials with a desired thermal expansion behavior, Here we demonstrate the use of Synchrotron based X-ray absorption near-edge structure (XANES) spectra to identify transition metal oxidation states. Our analysis reveals the presence of divalent, trivalent and/or mixed valence transition metals in the materials as well as high-spin and low-spin complexes.

  15. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal

    International Nuclear Information System (INIS)

    Zhao, Bin; Guo, Hua; Sun, Zhigang

    2015-01-01

    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H 2 O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H 2 O → H 2 + OH reaction. The strong enhancement of reactivity by the H 2 O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal

  16. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

    Science.gov (United States)

    Zhao, Bin; Sun, Zhigang; Guo, Hua

    2015-06-28

    Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

  17. Racial and ethnic differences in the transition to a teenage birth in the United States.

    Science.gov (United States)

    Manlove, Jennifer; Steward-Streng, Nicole; Peterson, Kristen; Scott, Mindy; Wildsmith, Elizabeth

    2013-06-01

    Rates of teenage childbearing are high in the United States, and they differ substantially by race and ethnicity and nativity status. Data from the National Longitudinal Survey of Youth 1997 cohort were used to link characteristics of white, black, U.S.-born Hispanic and foreign-born Hispanic adolescents to teenage childbearing. Following a sample of 3,294 females aged 12-16 through age 19, discrete-time logistic regression analyses were used to examine which domains of teenagers' lives were associated with the transition to a teenage birth for each racial and ethnic group, and whether these associations help explain racial and ethnic and nativity differences in this transition. In a baseline multivariate analysis controlling for age, compared with whites, foreign-born Hispanics had more than three times the odds of a teenage birth (odds ratio, 3.5), while blacks and native-born Hispanics had about twice the odds (2.1 and 1.9, respectively). Additional controls (for family environments; individual, peer and dating characteristics; characteristics of first sexual relationships; and subsequent sexual experience) reduced the difference between blacks and whites, and between foreign-born Hispanics and whites, and eliminated the difference between U.S.-born Hispanics and whites. Further, if racial or ethnic minority adolescents had the same distribution as did white teenagers across all characteristics, the predicted probability of a teenage birth would be reduced by 40% for blacks and 35% for U.S.-born Hispanics. Differences in the context of adolescence may account for a substantial portion of racial, ethnic and nativity differences in teenage childbearing. Copyright © 2013 by the Guttmacher Institute.

  18. Linking ecosystem services with state-and-transition models to evaluate rangeland management decisions

    Science.gov (United States)

    Lohani, S.; Heilman, P.; deSteiguer, J. E.; Guertin, D. P.; Wissler, C.; McClaran, M. P.

    2014-12-01

    Quantifying ecosystem services is a crucial topic for land management decision making. However, market prices are usually not able to capture all the ecosystem services and disservices. Ecosystem services from rangelands, that cover 70% of the world's land area, are even less well-understood since knowledge of rangelands is limited. This study generated a management framework for rangelands that uses remote sensing to generate state and transition models (STMs) for a large area and a linear programming (LP) model that uses ecosystem services to evaluate natural and/or management induced transitions as described in the STM. The LP optimization model determines the best management plan for a plot of semi-arid land in the Empire Ranch in southeastern Arizona. The model allocated land among management activities (do nothing, grazing, fire, and brush removal) to optimize net benefits and determined the impact of monetizing environmental services and disservices on net benefits, acreage allocation and production output. The ecosystem services under study were forage production (AUM/ac/yr), sediment (lbs/ac/yr), water runoff (inches/yr), soil loss (lbs/ac/yr) and recreation (thousands of number of visitors/ac/yr). The optimization model was run for three different scenarios - private rancher, public rancher including environmental services and excluding disservices, and public rancher including both services and disservices. The net benefit was the highest for the public rancher excluding the disservices. A result from the study is a constrained optimization model that incorporates ecosystem services to analyze investments on conservation and management activities. Rangeland managers can use this model to understand and explain, not prescribe, the tradeoffs of management investments.

  19. Collisional quenching at ultralow energies: controlling efficiency with internal state selection.

    Science.gov (United States)

    Bovino, S; Bodo, E; Gianturco, F A

    2007-12-14

    Calculations have been carried out for the vibrational quenching of excited H(2) molecules which collide with Li(+) ions at ultralow energies. The dynamics has been treated exactly using the well-known quantum coupled-channel expansions over different initial vibrational levels. The overall interaction potential has been obtained from the calculations carried out earlier by our group using highly correlated ab initio methods. The results indicate that specific features of the scattering observables, e.g., the appearance of Ramsauer-Townsend minima in elastic channel cross sections and the marked increase of the cooling rates from specific initial states, can be linked to potential properties at vanishing energies (sign and size of scattering lengths) and to the presence of either virtual states or bound states. The suggestion is made such that by selecting the initial state preparation of the molecular partners, the ionic interactions would be amenable to controlling quenching efficiency at ultralow energies.

  20. Charge transfer complex states in diketopyrrolopyrrole polymers and fullerene blends: Implications for organic solar cell efficiency

    Science.gov (United States)

    Moghe, D.; Yu, P.; Kanimozhi, C.; Patil, S.; Guha, S.

    2011-12-01

    The spectral photocurrent characteristics of two donor-acceptor diketopyrrolopyrrole (DPP)-based copolymers (PDPP-BBT and TDPP-BBT) blended with a fullerene derivative [6,6]-phenyl C61-butyric acid methyl ester (PCBM) were studied using Fourier-transform photocurrent spectroscopy (FTPS) and monochromatic photocurrent (PC) method. PDPP-BBT:PCBM shows the onset of the lowest charge transfer complex (CTC) state at 1.42 eV, whereas TDPP-BBT:PCBM shows no evidence of the formation of a midgap CTC state. The FTPS and PC spectra of P3HT:PCBM are also compared. The larger singlet state energy difference of TDPP-BBT and PCBM compared to PDPP-BBT/P3HT and PCBM obliterates the formation of a midgap CTC state resulting in an enhanced photovoltaic efficiency over PDPP-BBT:PCBM.

  1. Efficient Symmetry Reduction and the Use of State Symmetries for Symbolic Model Checking

    Directory of Open Access Journals (Sweden)

    Christian Appold

    2010-06-01

    Full Text Available One technique to reduce the state-space explosion problem in temporal logic model checking is symmetry reduction. The combination of symmetry reduction and symbolic model checking by using BDDs suffered a long time from the prohibitively large BDD for the orbit relation. Dynamic symmetry reduction calculates representatives of equivalence classes of states dynamically and thus avoids the construction of the orbit relation. In this paper, we present a new efficient model checking algorithm based on dynamic symmetry reduction. Our experiments show that the algorithm is very fast and allows the verification of larger systems. We additionally implemented the use of state symmetries for symbolic symmetry reduction. To our knowledge we are the first who investigated state symmetries in combination with BDD based symbolic model checking.

  2. Resource-efficient generation of linear cluster states by linear optics with postselection

    International Nuclear Information System (INIS)

    Uskov, D B; Alsing, P M; Fanto, M L; Szep, A; Smith, A M; Kaplan, L; Kim, R

    2015-01-01

    We report on theoretical research in photonic cluster-state computing. Finding optimal schemes of generating non-classical photonic states is of critical importance for this field as physically implementable photon–photon entangling operations are currently limited to measurement-assisted stochastic transformations. A critical parameter for assessing the efficiency of such transformations is the success probability of a desired measurement outcome. At present there are several experimental groups that are capable of generating multi-photon cluster states carrying more than eight qubits. Separate photonic qubits or small clusters can be fused into a single cluster state by a probabilistic optical CZ gate conditioned on simultaneous detection of all photons with 1/9 success probability for each gate. This design mechanically follows the original theoretical scheme of cluster state generation proposed more than a decade ago by Raussendorf, Browne and Briegel. The optimality of the destructive CZ gate in application to linear optical cluster state generation has not been analyzed previously. Our results reveal that this method is far from the optimal one. Employing numerical optimization we have identified that the maximal success probability of fusing n unentangled dual-rail optical qubits into a linear cluster state is equal to (1/2) n−1 ; an m-tuple of photonic Bell pair states, commonly generated via spontaneous parametric down-conversion, can be fused into a single cluster with the maximal success probability of (1/4) m−1 . (paper)

  3. Optical efficiency for fission fragment track counting in Muscovite solid state track recorders

    International Nuclear Information System (INIS)

    Roberts, J.H.; Ruddy, F.H.; Gold, R.

    1984-01-01

    In order to determine absolute fission rates from thin actinide deposits placed in direct contact with Muscovite Solid State Track Recorders, it is necessary to know the efficiency with which fission fragment tracks are recorded. In this paper, a redetermination of the 'optical efficiency', i.e. the fraction of fission events recorded and observed in the Muscovite is reported. The value obtained from a well-calibrated thin deposit of 252 Cf and Muscovite etched about 90 min. in 49% HF at room temperature, is 0.9875 +- 0.0085. Manual counting was used. Preliminary results from a deposit of 242 Pu are also reported, along with preliminary comparisons of track counting with an automated system. Reasons for the discrepancy of the optical efficiency reported here with an earlier measurement are also reported. (author)

  4. Optical efficiency for fission-fragment track counting in Muscovite Solid-State Track Recorders

    International Nuclear Information System (INIS)

    Roberts, J.H.; Ruddy, F.H.; Gold, R.

    1983-07-01

    In order to determine absolute fission rates from thin actinide deposits placed in direct contact with Muscovite Solid-State Track Recorders, it is necessary to know the efficiency with which fission-fragment tracks are recorded. In this paper, a redetermination of the optical efficiency, i.e., the fraction of fission events recorded and observed in the Muscovite, is reported. The value obtained from a well-calibrated thin deposit of 252 Cf and Muscovite etched about 90 min. in 49% HF at room temperature, is 0.9875 +- 0.0085. Manual counting was used. Preliminary results from a deposit of 242 Pu are also reported, along with preliminary comparisons of track counting with an automated system. Reasons for the discrepancy of the optical efficiency reported here with an earlier measurement are also reported. 5 references, 1 figure, 3 tables

  5. The origin of efficient triplet state population in sulfur-substituted nucleobases

    Science.gov (United States)

    Mai, Sebastian; Pollum, Marvin; Martínez-Fernández, Lara; Dunn, Nicholas; Marquetand, Philipp; Corral, Inés; Crespo-Hernández, Carlos E.; González, Leticia

    2016-10-01

    Elucidating the photophysical mechanisms in sulfur-substituted nucleobases (thiobases) is essential for designing prospective drugs for photo- and chemotherapeutic applications. Although it has long been established that the phototherapeutic activity of thiobases is intimately linked to efficient intersystem crossing into reactive triplet states, the molecular factors underlying this efficiency are poorly understood. Herein we combine femtosecond transient absorption experiments with quantum chemistry and nonadiabatic dynamics simulations to investigate 2-thiocytosine as a necessary step to unravel the electronic and structural elements that lead to ultrafast and near-unity triplet-state population in thiobases in general. We show that different parts of the potential energy surfaces are stabilized to different extents via thionation, quenching the intrinsic photostability of canonical DNA and RNA nucleobases. These findings satisfactorily explain why thiobases exhibit the fastest intersystem crossing lifetimes measured to date among bio-organic molecules and have near-unity triplet yields, whereas the triplet yields of canonical nucleobases are nearly zero.

  6. Soft switching circuit to improve efficiency of all solid-state Marx modulator for DBDs

    Science.gov (United States)

    Liqing, TONG; Kefu, LIU; Yonggang, WANG

    2018-02-01

    For an all solid-state Marx modulator applied in dielectric barrier discharges (DBDs), hard switching results in a very low efficiency. In this paper, a series resonant soft switching circuit, which series an inductance with DBD capacitor, is proposed to reduce the power loss. The power loss of the all circuit status with hard switching was analyzed, and the maximum power loss occurred during discharging at the rising and falling edges. The power loss of the series resonant soft switching circuit was also presented. A comparative analysis of the two circuits determined that the soft switching circuit greatly reduced power loss. The experimental results also demonstrated that the soft switching circuit improved the power transmission efficiency of an all solid-state Marx modulator for DBDs by up to 3 times.

  7. Efficient quantum secret sharing scheme with two-particle entangled states

    International Nuclear Information System (INIS)

    Zhu Zhen-Chao; Fu An-Min; Zhang Yu-Qing

    2011-01-01

    This paper proposes a protocol for multi-party quantum secret sharing utilizing four non-orthogonal two-particle entangled states following some ideas in the schemes proposed by Liu et al. (2006 Chin. Phys. Lett. 23 3148) and Zhang et al. (2009 Chin. Phys. B 18 2149) respectively. The theoretical efficiency for qubits of the new protocol is improved from 50% to approaching 100%. All the entangled states can be used for generating the private key except those used for the eavesdropping check. The validity of a probable attack called opaque cheat attack to this kind of protocols is considered in the paper for the first time. (general)

  8. Viewing brain processes as Critical State Transitions across levels of organization: Neural events in Cognition and Consciousness, and general principles.

    Science.gov (United States)

    Werner, Gerhard

    2009-04-01

    In this theoretical and speculative essay, I propose that insights into certain aspects of neural system functions can be gained from viewing brain function in terms of the branch of Statistical Mechanics currently referred to as "Modern Critical Theory" [Stanley, H.E., 1987. Introduction to Phase Transitions and Critical Phenomena. Oxford University Press; Marro, J., Dickman, R., 1999. Nonequilibrium Phase Transitions in Lattice Models. Cambridge University Press, Cambridge, UK]. The application of this framework is here explored in two stages: in the first place, its principles are applied to state transitions in global brain dynamics, with benchmarks of Cognitive Neuroscience providing the relevant empirical reference points. The second stage generalizes to suggest in more detail how the same principles could also apply to the relation between other levels of the structural-functional hierarchy of the nervous system and between neural assemblies. In this view, state transitions resulting from the processing at one level are the input to the next, in the image of a 'bucket brigade', with the content of each bucket being passed on along the chain, after having undergone a state transition. The unique features of a process of this kind will be discussed and illustrated.

  9. White Paper: Unleashing Energy Efficiency Retrofits Through Energy Performance Contracts in China and the United States

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Bo [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Price, Lynn [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Liu, Manzhi [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Meng, Lu [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Miao, Pei [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Dai, Fan [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Evans, Meredydd [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Yu, Sha [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Roshchanka, Volha [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Halverson, Mark [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-09-15

    Energy performance contracting (EPC) is a mechanism that uses private sector investment and expertise to deploy energy efficiency retrofits in buildings, industries, and other types of facilities. China and the United States both have large, growing EPC markets. This White Paper shares key insights on each market, including strengths and barriers inherent to these markets, compares the two markets, and sets forth options for enhancing EPC markets in each country. The White Paper concludes with recommendations structured around common goals of both countries.

  10. Are rapid transitions between invasive and native species caused by alternative stable states, and does it matter?

    Science.gov (United States)

    Hansen, Gretchen J A; Ives, Anthony R; Vander Zanden, M Jake; Carpenter, Stephen R

    2013-10-01

    Rapid transitions in ecosystem structure, or regime shifts, are a hallmark of alternative stable states (ASS). However, regime shifts can occur even when feedbacks are not strong enough to cause ASS. We investigated the potential for ASS to explain transitions between dominance of an invasive species, rusty crayfish (Orconectes rusticus), and native sunfishes (Lepomis spp.) in northern Wisconsin (USA) lakes. A rapid transition from Lepomis to rusty crayfish dominance occurred as rusty crayfish invaded Trout Lake, and the reverse transition resulted from an eight-year experimental removal of rusty crayfish from Sparkling Lake. We fit a stage-structured population model of species interactions to 31 years of time-series data from each lake. The model identified water level as an important driver, with drought conditions reducing rusty crayfish recruitment and allowing Lepomis dominance. The maximum-likelihood parameter estimates of the negative interaction between rusty crayfish and Lepomis led to ASS in the model, where each species was capable of excluding the other within a narrow range of environmental conditions. However, uncertainty in parameter estimates made it impossible to exclude the potential that rapid transitions were caused by a simpler threshold response lacking alternative equilibria. Simulated forward and backward transitions between species dominance occurred at different environmental conditions (i.e., hysteresis), even when the parameters used for simulation did not predict ASS as a result of slow species responses to environmental drivers. Thus, ASS are possible, but by no means certain, explanations for rapid transitions in this system, and our results highlight the difficulties associated with distinguishing ASS from other types of threshold responses. However, whether regime shifts are caused by ASS may be relatively unimportant in this system, as the range of conditions over which transitions occur is narrow, and under most conditions, the

  11. Can quantum transition state theory be defined as an exact t = 0+ limit?

    Science.gov (United States)

    Jang, Seogjoo; Voth, Gregory A.

    2016-02-01

    The definition of the classical transition state theory (TST) as a t → 0+ limit of the flux-side time correlation function relies on the assumption that simultaneous measurement of population and flux is a well defined physical process. However, the noncommutativity of the two measurements in quantum mechanics makes the extension of such a concept to the quantum regime impossible. For this reason, quantum TST (QTST) has been generally accepted as any kind of quantum rate theory reproducing the TST in the classical limit, and there has been a broad consensus that no unique QTST retaining all the properties of TST can be defined. Contrary to this widely held view, Hele and Althorpe (HA) [J. Chem. Phys. 138, 084108 (2013)] recently suggested that a true QTST can be defined as the exact t → 0+ limit of a certain kind of quantum flux-side time correlation function and that it is equivalent to the ring polymer molecular dynamics (RPMD) TST. This work seeks to question and clarify certain assumptions underlying these suggestions and their implications. First, the time correlation function used by HA as a starting expression is not related to the kinetic rate constant by virtue of linear response theory, which is the first important step in relating a t = 0+ limit to a physically measurable rate. Second, a theoretical analysis calls into question a key step in HA's proof which appears not to rely on an exact quantum mechanical identity. The correction of this makes the true t = 0+ limit of HA's QTST different from the RPMD-TST rate expression, but rather equal to the well-known path integral quantum transition state theory rate expression for the case of centroid dividing surface. An alternative quantum rate expression is then formulated starting from the linear response theory and by applying a recently developed formalism of real time dynamics of imaginary time path integrals [S. Jang, A. V. Sinitskiy, and G. A. Voth, J. Chem. Phys. 140, 154103 (2014)]. It is shown

  12. Hydrogen-bonded intermediates and transition states during spontaneous and acid-catalyzed hydrolysis of the carcinogen (+)-anti-BPDE.

    Science.gov (United States)

    Palenik, Mark C; Rodriguez, Jorge H

    2014-07-07

    Understanding mechanisms of (+)-anti-BPDE detoxification is crucial for combating its mutagenic and potent carcinogenic action. However, energetic-structural correlations of reaction intermediates and transition states during detoxification via hydrolysis are poorly understood. To gain mechanistic insight we have computationally characterized intermediate and transition species associated with spontaneous and general-acid catalyzed hydrolysis of (+)-anti-BPDE. We studied the role of cacodylic acid as a proton donor in the rate limiting step. The computed activation energy (ΔG‡) is in agreement with the experimental value for hydrolysis in a sodium cacodylate buffer. Both types of, spontaneous and acid catalyzed, BPDE hydrolysis can proceed through low-entropy hydrogen bonded intermediates prior to formation of transition states whose energies determine reaction activation barriers and rates.

  13. Coal Transition in the United States. An historical case study for the project 'Coal Transitions: Research and Dialogue on the Future of Coal'

    International Nuclear Information System (INIS)

    Kok, Irem

    2017-01-01

    This is one of the 6 country case-studies commissioned to collect experience on past coal transitions. The 6 countries are: Czech Republic, the Netherlands, Poland, Spain, UK, USA. Their role in the Coal Transitions project was to provide background information for a Synthesis Report for decision makers, and provide general lessons for national project teams to take into account in developing their coal transitions pathways for the future. Over the past decade, the US started to cut down the production and the use of coal, which was affected by unfavorable market dynamics and changing federal regulatory environment. Even before the shale gas revolution and uptake of renewables diminish the use of coal in power generation, coal communities were struggling to meet ends. The regional cost differences between producing states, such as the Appalachian and the Powder River Basins, indicates that coal-impacted communities and workers have lived through the impacts of coal transition at varying magnitudes and time periods. In the period between 2014 and 2016, we have seen the crash of major US coal companies due to declining demand for US coal domestically and internationally. Furthermore, Obama administration's climate change policies negatively impacted coal-fired power plants with additional GHG emission requirements, contributing to declining domestic demand for coal. Combined with market downturn, US coal producers already struggle to pay for high operational costs and legal liabilities under bankruptcy conditions. With under-funded state budgets, coal states are also grappling with financial exposure resulting from pension, health care and reclamation liabilities of bankrupt coal companies. In 2016, former President Obama announced the Power Plus Plan to aid coal-impacted communities and workers to prepare for a low carbon future. The federal budget plan targeted diversification of local economies, funding of health and pension funds of miners and retraining for

  14. Different secondary structure elements as scaffolds for protein folding transition states of two homologous four-helix bundles.

    Science.gov (United States)

    Teilum, Kaare; Thormann, Thorsten; Caterer, Nigel R; Poulsen, Heidi I; Jensen, Peter H; Knudsen, Jens; Kragelund, Birthe B; Poulsen, Flemming M

    2005-04-01

    Comparison of the folding processes for homologue proteins can provide valuable information about details in the interactions leading to the formation of the folding transition state. Here the folding kinetics of 18 variants of yACBP and 3 variants of bACBP have been studied by Phi-value analysis. In combination with Phi-values from previous work, detailed insight into the transition states for folding of both yACBP and bACBP has been obtained. Of the 16 sequence positions that have been studied in both yACBP and bACBP, 5 (V12, I/L27, Y73, V77, and L80) have high Phi-values and appear to be important for the transition state formation in both homologues. Y31, A34, and A69 have high Phi-values only in yACBP, while F5, A9, and I74 have high Phi-values only in bACBP. Thus, additional interactions between helices A2 and A4 appear to be important for the transition state of yACBP, whereas additional interactions between helices A1 and A4 appear to be important for the transition state of bACBP. To examine whether these differences could be assigned to different packing of the residues in the native state, a solution structure of yACBP was determined by NMR. Small changes in the packing of the hydrophobic side-chains, which strengthen the interactions between helices A2 and A4, are observed in yACBP relative to bACBP. It is suggested that different structure elements serve as scaffolds for the folding of the 2 ACBP homologues. (c) 2005 Wiley-Liss, Inc.

  15. Wnt/β-catenin signaling promotes self-renewal and inhibits the primed state transition in naïve human embryonic stem cells.

    Science.gov (United States)

    Xu, Zhuojin; Robitaille, Aaron M; Berndt, Jason D; Davidson, Kathryn C; Fischer, Karin A; Mathieu, Julie; Potter, Jennifer C; Ruohola-Baker, Hannele; Moon, Randall T

    2016-10-18

    In both mice and humans, pluripotent stem cells (PSCs) exist in at least two distinct states of pluripotency, known as the naïve and primed states. Our understanding of the intrinsic and extrinsic factors that enable PSCs to self-renew and to transition between different pluripotent states is important for understanding early development. In mouse embryonic stem cells (mESCs), Wnt proteins stimulate mESC self-renewal and support the naïve state. In human embryonic stem cells (hESCs), Wnt/β-catenin signaling is active in naïve-state hESCs and is reduced or absent in primed-state hESCs. However, the role of Wnt/β-catenin signaling in naïve hESCs remains largely unknown. Here, we demonstrate that inhibition of the secretion of Wnts or inhibition of the stabilization of β-catenin in naïve hESCs reduces cell proliferation and colony formation. Moreover, we show that addition of recombinant Wnt3a partially rescues cell proliferation in naïve hESCs caused by inhibition of Wnt secretion. Notably, inhibition of Wnt/β-catenin signaling in naïve hESCs did not cause differentiation. Instead, it induced primed hESC-like proteomic and metabolic profiles. Thus, our results suggest that naïve hESCs secrete Wnts that activate autocrine or paracrine Wnt/β-catenin signaling to promote efficient self-renewal and inhibit the transition to the primed state.

  16. Innovative financing models for low carbon transitions: Exploring the case for revolving funds for domestic energy efficiency programmes

    International Nuclear Information System (INIS)

    Gouldson, Andy; Kerr, Niall; Millward-Hopkins, Joel; Freeman, Mark C.; Topi, Corrado; Sullivan, Rory

    2015-01-01

    The IEA has estimated that over the next four decades US$31 trillion will be required to promote energy efficiency in buildings. However, the opportunities to make such investments are often constrained, particularly in contexts of austerity. We consider the potential of revolving funds as an innovative financing mechanism that could reduce investment requirements and enhance investment impacts by recovering and reinvesting some of the savings generated by early investments. Such funds have been created in various contexts, but there has never been a formal academic evaluation of their potential to contribute to low carbon transitions. To address this, we propose a generic revolving fund model and apply it using data on the costs and benefits of domestic sector retrofit in the UK. We find that a revolving fund could reduce the costs of domestic sector retrofit in the UK by 26%, or £9 billion, whilst also making such a scheme cost-neutral, albeit with significant up-front investments that would only pay for themselves over an extended period of time. We conclude that revolving funds could enable countries with limited resources to invest more heavily and more effectively in low carbon development, even in contexts of austerity. - Highlights: • Examines the need for substantially higher levels of low carbon investment. • Explores the need for innovative financing mechanisms such as revolving funds. • Shows that revolving a fund could reduce the cost of UK retrofit by £9 billion or 26%. • Also shows that a revolving fund could make retrofit cost-neutral in the long term. • Concludes that revolving funds could dramatically increase low carbon investment.

  17. Interface and phase transition between Moore-Read and Halperin 331 fractional quantum Hall states: Realization of chiral Majorana fermion

    Science.gov (United States)

    Yang, Kun

    2017-12-01

    We consider an interface separating the Moore-Read state and Halperin 331 state in a half-filled Landau level, which can be realized in a double quantum well system with varying interwell tunneling and/or interaction strengths. In the presence of electron tunneling and strong Coulomb interactions across the interface, we find that all charge modes localize and the only propagating mode left is a chiral Majorana fermion mode. Methods to probe this neutral mode are proposed. A quantum phase transition between the Moore-Read and Halperin 331 states is described by a network of such Majorana fermion modes. In addition to a direct transition, they may also be separated by a phase in which the Majorana fermions are delocalized, realizing an incompressible state which exhibits quantum Hall charge transport and bulk heat conduction.

  18. The political-economic transition and the building of the welfare state in Spain (1975-1986

    Directory of Open Access Journals (Sweden)

    Rafael Muñoz de Bustillo Llorente

    2008-12-01

    Full Text Available This article analyses the economic policy in Spain during the govern- ments of the Spanish political transition from 1975 to 1986. It considers the different areas of economic policy with special emphasis on the development of welfare state issues in this period. Taking into account the difficult economic and political situation in 1975, there were some important advances in social policy and progressive taxation during the period. The transition to democracy in Spain changed the role and size of the public sector above all from 1975 to 1986. The social demands over the political system were possible improvements in the progressive and redistributive policies in education, health, and social programs. Spain’s transition to democracy and the first period of welfare state show a mutually reinforcing and its consequences were the modernization of the Spanish economy. However, from 1986 the economic develop- ment and the progress of welfare state have had a different growth.Key words: Welfare state, Economic transition, Spain.

  19. Effects of a transition to a hydrogen economy on employment in the United States Report to Congress

    Energy Technology Data Exchange (ETDEWEB)

    None, None

    2008-07-01

    DOE's Effects of a Transition to a Hydrogen Economy on Employment in the United States Report to Congress estimates the employment effects of a transformation of the U.S. economy to the use of hydrogen in the 2020 to 2050 timeframe. This report fulfills requirements of section 1820 of the Energy Policy Act of 2005.

  20. Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes.

    Science.gov (United States)

    Formoso, Elena; Matxain, Jon M; Lopez, Xabier; York, Darrin M

    2010-06-03

    The mechanisms of enzymes are intimately connected with their overall structure and dynamics in solution. Experimentally, it is considerably challenging to provide detailed atomic level information about the conformational events that occur at different stages along the chemical reaction path. Here, theoretical tools may offer new potential insights that complement those obtained from experiments that may not yield an unambiguous mechanistic interpretation. In this study, we apply molecular dynamics simulations of bovine pancreatic ribonuclease A, an archetype ribonuclease, to study the conformational dynamics, structural relaxation, and differential solvation that occur at discrete stages of the transesterification and cleavage reaction. Simulations were performed with explicit solvation with rigorous electrostatics and utilize recently developed molecular mechanical force field parameters for transphosphorylation and hydrolysis transition state analogues. Herein, we present results for the enzyme complexed with the dinucleotide substrate cytidilyl-3',5'-adenosine (CpA) in the reactant, and transphosphorylation and hydrolysis transition states. A detailed analysis of active site structures and hydrogen-bond patterns is presented and compared. The integrity of the overall backbone structure is preserved in the simulations and supports a mechanism whereby His12 stabilizes accumulating negative charge at the transition states through hydrogen-bond donation to the nonbridge oxygens. Lys41 is shown to be highly versatile along the reaction coordinate and can aid in the stabilization of the dianionic transition state, while being poised to act as a general acid catalyst in the hydrolysis step.