Transiting Exoplanet Observations at Grinnell College

NASA Astrophysics Data System (ADS)

Sauerhaft, Julia; Slough, P.; Cale, B.; Kempton, E.

2014-01-01

Grinnell College, a small liberal arts college in Grinnell, Iowa with 1600 undergraduate students, is home to the Grant O. Gale Observatory. Over the past year, we have successfully detected extrasolar planets using the transit method with our 24-inch Cassegrain reflecting telescope equipped with a CCD camera. With little light pollution and an easily accessible observatory, Grinnell College is an optimal location for transiting exoplanet observations. With the current telescope set-up and CCD camera, we have taken time series data and created image calibration and post-processing programs that detect exoplanet transits at high photometric precision. In the future, we will continue to use these observation and data reduction procedures to conduct transiting exoplanet research. Goals for our research program include performing follow-up observations of transiting exoplanet candidates to confirm their planetary nature, searching for additional exoplanets in known planetary systems using the transit timing detection method, tracking long period transiting planets, and refining properties of exoplanets and their host stars. Ground-based transiting planet science is especially important in the post-Kepler era, and our dedicated mid-sized telescope with plenty of access to dark clear nights provides an ideal resource for a variety of follow up and exoplanet detection efforts.

Lowering transit crime may save energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

Shifting travelers from less-energy-efficient automobiles to more-energy-efficient transit vehicles is an essential energy conservation measure. During peak travel periods the average auto carries 1.4 persons and consumes 16 times more fuel per passenger mile than an urban bus carrying an average of 75 passengers. Today's travelers are using transit for less than 3 percent of their urban trips. Travelers reject transit because its costs--in terms of time, money, and quality of service--are higher than those for the auto. One element of the higher cost of using transit is the increased exposure to crime which occurs when a traveler shifts frommore » his private car to mass transit. The increased exposure is the result of the additional time transit travelers spend getting to and waiting at transit stops, as well as the additional time spent riding, and the lack of privacy while on transit. Furthermore, transit travelers have no control over their route, which may go through high-crime areas. In contrast, traveling by auto not only eliminates the time getting to and waiting at transit stops, but it also provides a secure compartment which can be locked. Traveling companions can be chosen to limit exposure to crime. In addition, auto travel provides the opportunity to select the safest and shortest route. Between the two extremes of high exposure to crime presented by public transit and low exposure to crime offered by private autos lies para-transit, such as taxis, carpools, and jitneys (small buses that carry passengers over a regular route according to a flexible schedule). (MCW)« less

E-Mobility and the Energy Transition.

PubMed

Schlögl, Robert

2017-09-04

Since the reduction of greenhouse gases is the top priority of the Energy Transition, primary electricity should be converted to material energy carriers. In this way electricity can be "stored" and made accessible for other applications. This Essay focuses on the integration of mobility in the Energy Transition and the development of sustainable alternatives to electricity-based transportation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Neutral Vanadium (V i)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of the neutral vanadium atom, V i, have been compiled. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factors and leading percentage compositions for the levels are included where available, as well as wavelengths calculated from the energy levels (Ritz wavelengths). Wavelengths are reported for 3985 transitions, and 549 energy levels are determined. The observed relative intensities normalized to a common scale are provided.

Recalculation of the infrared continuum spectrum of the lowest energy triplet transitions in K2

NASA Astrophysics Data System (ADS)

Ligare, Martin; Edmonds, J. Brent

1991-09-01

The observation and identification of the spectra arising from transitions between the lowest energy triplet electronic states of diatomic potassium molecules were made by Huennekens et al. [J. Chem. Phys. 80, 4794 (1984)]. In this letter we recalculate theoretical spectra for these transitions using quasistatic line broadening theory and the recently published ab initio potential energy curves of Jeung and Ross [J. Phys. B 21, 1473 (1988)]. The calculated satellite of the 3Σ+g-3Σ+u transition occurs at 1.105 μm while the satellite is experimentally observed at 1.096 μm. This improved agreement both solidifies the original identification of Huennekens et al. and indicates the accuracy of the recent potential energy curves of Jeung and Ross for the low energy triplet states.

Constraining the volatile fraction of planets from transit observations

NASA Astrophysics Data System (ADS)

Alibert, Y.

2016-06-01

Context. The determination of the abundance of volatiles in extrasolar planets is very important as it can provide constraints on transport in protoplanetary disks and on the formation location of planets. However, constraining the internal structure of low-mass planets from transit measurements is known to be a degenerate problem. Aims: Using planetary structure and evolution models, we show how observations of transiting planets can be used to constrain their internal composition, in particular the amount of volatiles in the planetary interior, and consequently the amount of gas (defined in this paper to be only H and He) that the planet harbors. We first explore planets that are located close enough to their star to have lost their gas envelope. We then concentrate on planets at larger distances and show that the observation of transiting planets at different evolutionary ages can provide statistical information on their internal composition, in particular on their volatile fraction. Methods: We computed the evolution of low-mass planets (super-Earths to Neptune-like) for different fractions of volatiles and gas. We used a four-layer model (core, silicate mantle, icy mantle, and gas envelope) and computed the internal structure of planets for different luminosities. With this internal structure model, we computed the internal and gravitational energy of planets, which was then used to derive the time evolution of the planet. Since the total energy of a planet depends on its heat capacity and density distribution and therefore on its composition, planets with different ice fractions have different evolution tracks. Results: We show for low-mass gas-poor planets that are located close to their central star that assuming evaporation has efficiently removed the entire gas envelope, it is possible to constrain the volatile fraction of close-in transiting planets. We illustrate this method on the example of 55 Cnc e and show that under the assumption of the absence of

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V II)

NASA Astrophysics Data System (ADS)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V II, have been compiled. The experimentally derived energy levels belong to the configurations 3d 4, 3d 3 ns (n = 4, 5, 6), 3d 3 np, and 3d 3 nd (n = 4, 5), 3d 34f, 3d 24s 2, and 3d 24s4p. Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g-factors and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm-1, corresponding to 14.634(7) eV. This is 130 cm-1 higher than the previously recommended value from Iglesias et al.

Toward the renewables - A natural gas/solar energy transition strategy

NASA Technical Reports Server (NTRS)

Hanson, J. A.; Escher, W. J. D.

1979-01-01

The inevitability of an energy transition from today's non-renewable fossil base toward a renewable energy base is considered from the viewpoint of the need for a national transition strategy. Then, one such strategy is offered. Its technological building blocks are described in terms of both energy use and energy supply. The strategy itself is then sketched at four points in its implementation; (1) initiation, (2) early transition, (3) late transition, and (4) completion. The transition is assumed to evolve from a heavily natural gas-dependent energy economy. It then proceeds through its transition toward a balanced, hybrid energy system consisting of both centralized and dispersed energy supply technologies supplying hydrogen and electricity from solar energy. Related institutional, environmental and economic factors are examined briefly.

Biomolecular Dynamics: Order-Disorder Transitions and Energy Landscapes

PubMed Central

Whitford, Paul C.; Sanbonmatsu, Karissa Y.; Onuchic, José N.

2013-01-01

While the energy landscape theory of protein folding is now a widely accepted view for understanding how relatively-weak molecular interactions lead to rapid and cooperative protein folding, such a framework must be extended to describe the large-scale functional motions observed in molecular machines. In this review, we discuss 1) the development of the energy landscape theory of biomolecular folding, 2) recent advances towards establishing a consistent understanding of folding and function, and 3) emerging themes in the functional motions of enzymes, biomolecular motors, and other biomolecular machines. Recent theoretical, computational, and experimental lines of investigation are providing a very dynamic picture of biomolecular motion. In contrast to earlier ideas, where molecular machines were thought to function similarly to macroscopic machines, with rigid components that move along a few degrees of freedom in a deterministic fashion, biomolecular complexes are only marginally stable. Since the stabilizing contribution of each atomic interaction is on the order of the thermal fluctuations in solution, the rigid body description of molecular function must be revisited. An emerging theme is that functional motions encompass order-disorder transitions and structural flexibility provide significant contributions to the free-energy. In this review, we describe the biological importance of order-disorder transitions and discuss the statistical-mechanical foundation of theoretical approaches that can characterize such transitions. PMID:22790780

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

NASA Astrophysics Data System (ADS)

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.

Simultaneous infrared and optical observations of the transiting debris cloud around WD 1145+017

NASA Astrophysics Data System (ADS)

Zhou, G.; Kedziora-Chudczer, L.; Bailey, J.; Marshall, J. P.; Bayliss, D. D. R.; Stockdale, C.; Nelson, P.; Tan, T. G.; Rodriguez, J. E.; Tinney, C. G.; Dragomir, D.; Colon, K.; Shporer, A.; Bento, J.; Sefako, R.; Horne, K.; Cochran, W.

2016-12-01

We present multiwavelength photometric monitoring of WD 1145+017, a white dwarf exhibiting periodic dimming events interpreted to be the transits of orbiting, disintegrating planetesimals. Our observations include the first set of near-infrared light curves for the object, obtained on multiple nights over the span of 1 month, and recorded multiple transit events with depths varying between ˜20 and 50 per cent. Simultaneous near-infrared and optical observations of the deepest and longest duration transit event were obtained on two epochs with the Anglo-Australian Telescope and three optical facilities, over the wavelength range of 0.5-1.2 μm. These observations revealed no measurable difference in transit depths for multiple photometric pass bands, allowing us to place a 2σ lower limit of 0.8 μm on the grain size in the putative transiting debris cloud. This conclusion is consistent with the spectral energy distribution of the system, which can be fit with an optically thin debris disc with minimum particle sizes of 10^{+5}_{-3} μm.

Observation of optomechanical buckling transitions

PubMed Central

Xu, H.; Kemiktarak, U.; Fan, J.; Ragole, S.; Lawall, J.; Taylor, J. M.

2017-01-01

Correlated phases of matter provide long-term stability for systems as diverse as solids, magnets and potential exotic quantum materials. Mechanical systems, such as buckling transition spring switches, can have engineered, stable configurations whose dependence on a control variable is reminiscent of non-equilibrium phase transitions. In hybrid optomechanical systems, light and matter are strongly coupled, allowing engineering of rapid changes in the force landscape, storing and processing information, and ultimately probing and controlling behaviour at the quantum level. Here we report the observation of first- and second-order buckling transitions between stable mechanical states in an optomechanical system, in which full control of the nature of the transition is obtained by means of the laser power and detuning. The underlying multiwell confining potential we create is highly tunable, with a sub-nanometre distance between potential wells. Our results enable new applications in photonics and information technology, and may enable explorations of quantum phase transitions and macroscopic quantum tunnelling in mechanical systems. PMID:28248293

Energy transition strategies: a progress report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manne, A.S.

1979-09-01

Energy Transition Strategies is an EPRI project that has examined different aspects of the long-term problem of transition from scarce to abundant energy resources. This report presents three papers that were produced as part of that project. The first paper, A Decision Analysis of the US Breeder Reactor Program by Alan S. Manne and Richard G. Richels, applies the ETA-MACRO model to the debate over breeder R and D strategy. The second paper, Alternative Models of Energy Demand by Sergio Granville (EAPA 5:2810), examines the econometric evidence on the elasticity of substitution. The third paper, Exhaustible Resource Models: The Valuemore » of Information by Hung-po Chao, extends the Hotelling-Nordhaus exhaustible resource model by (1) allowing for a gradual shift to the backstop technology and (2) allowing for uncertainty about the cost of this backstop and the price elasticity of energy demand. The Summary of the report also abstracts four other papers produced by the project: ETA-MACRO: A Model of Energy-Economy Interactions EAPA 4:2289, The Fable of the Elephant and the Rabbit; Probability Assessments and Decision Analysis of Alternative Nuclear Fuel Cycles; and Energy Transition Strategies for the Industrialized Nations.« less

Household energy management strategies in Bulgaria's transitioning energy sector

NASA Astrophysics Data System (ADS)

Carper, Mark Daniel Lynn

Recent transition literature of post-socialist states has addressed the shortcomings of a rapid blanket implementation of neo-liberal policies and practices placed upon a landscape barren of the needed institutions and experiences. Included in these observations are the policy-making oversight of spatial socioeconomic variations and their individual and diverse methods of coping with their individual challenges. Of such literature addressing the case of Bulgaria, a good portion deals with the spatial consequences of restructuring as well as with embedded disputes over access to and control of resources. With few exceptions, studies of Bulgaria's changing energy sector have largely been at the state level and have not been placed within the context of spatial disparities of socioeconomic response. By exploring the variations of household energy management strategies across space, my dissertation places this resource within such a theoretical context and offers analysis based on respective levels of economic and human development, inherited material infrastructures, the organization and activities of institutions, and fuel and technological availability. A closed survey was distributed to explore six investigational themes across four geographic realms. The investigational themes include materials of housing construction, methods of household heating, use of electrical appliances, energy conservation strategies, awareness and use of energy conservation technologies, and attitudes toward the transitioning energy sector. The geographic realms include countrywide results, the urban-rural divide, regional variations, and urban divisions of the capital city, Sofia. Results conclude that, indeed, energy management strategies at the household level have been shaped by multiple variables, many of which differ across space. These variables include price sensitivity, degree of dependence on remnant technologies, fuel and substitute availability, and level of human and

Critically Evaluated Energy Levels, Spectral Lines, Transition Probabilities, and Intensities of Singly Ionized Vanadium (V ii)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saloman, Edward B.; Kramida, Alexander

2017-08-01

The energy levels, observed spectral lines, and transition probabilities of singly ionized vanadium, V ii, have been compiled. The experimentally derived energy levels belong to the configurations 3 d {sup 4}, 3 d {sup 3} ns ( n  = 4, 5, 6), 3 d {sup 3} np , and 3 d {sup 3} nd ( n  = 4, 5), 3 d {sup 3}4 f , 3 d {sup 2}4 s {sup 2}, and 3 d {sup 2}4 s 4 p . Also included are values for some forbidden lines that may be of interest to the astrophysical community. Experimental Landé g -factorsmore » and leading percentages for the levels are included when available, as well as Ritz wavelengths calculated from the energy levels. Wavelengths and transition probabilities are reported for 3568 and 1896 transitions, respectively. From the list of observed wavelengths, 407 energy levels are determined. The observed intensities, normalized to a common scale, are provided. From the newly optimized energy levels, a revised value for the ionization energy is derived, 118,030(60) cm{sup −1}, corresponding to 14.634(7) eV. This is 130 cm{sup −1} higher than the previously recommended value from Iglesias et al.« less

Characterization of radiation belt electron energy spectra from CRRES observations

NASA Astrophysics Data System (ADS)

Johnston, W. R.; Lindstrom, C. D.; Ginet, G. P.

2010-12-01

Energetic electrons in the outer radiation belt and the slot region exhibit a wide variety of energy spectral forms, more so than radiation belt protons. We characterize the spatial and temporal dependence of these forms using observations from the CRRES satellite Medium Electron Sensor A (MEA) and High-Energy Electron Fluxmeter (HEEF) instruments, together covering an energy range 0.15-8 MeV. Spectra were classified with two independent methods, data clustering and curve-fitting analyses, in each case defining categories represented by power law, exponential, and bump-on-tail (BOT) or other complex shapes. Both methods yielded similar results, with BOT, exponential, and power law spectra respectively dominating in the slot region, outer belt, and regions just beyond the outer belt. The transition from exponential to power law spectra occurs at higher L for lower magnetic latitude. The location of the transition from exponential to BOT spectra is highly correlated with the location of the plasmapause. In the slot region during the days following storm events, electron spectra were observed to evolve from exponential to BOT yielding differential flux minima at 350-650 keV and maxima at 1.5-2 MeV; such evolution has been attributed to energy-dependent losses from scattering by whistler hiss.

Observation of room-temperature high-energy resonant excitonic effects in graphene

NASA Astrophysics Data System (ADS)

Santoso, I.; Gogoi, P. K.; Su, H. B.; Huang, H.; Lu, Y.; Qi, D.; Chen, W.; Majidi, M. A.; Feng, Y. P.; Wee, A. T. S.; Loh, K. P.; Venkatesan, T.; Saichu, R. P.; Goos, A.; Kotlov, A.; Rübhausen, M.; Rusydi, A.

2011-08-01

Using a combination of ultraviolet-vacuum ultraviolet reflectivity and spectroscopic ellipsometry, we observe a resonant exciton at an unusually high energy of 6.3 eV in epitaxial graphene. Surprisingly, the resonant exciton occurs at room temperature and for a very large number of graphene layers N≈75, thus suggesting a poor screening in graphene. The optical conductivity (σ1) of a resonant exciton scales linearly with the number of graphene layers (up to at least 8 layers), implying the quantum character of electrons in graphene. Furthermore, a prominent excitation at 5.4 eV, which is a mixture of interband transitions from π to π* at the M point and a π plasmonic excitation, is observed. In contrast, for graphite the resonant exciton is not observable but strong interband transitions are seen instead. Supported by theoretical calculations, for N⩽ 28 the σ1 is dominated by the resonant exciton, while for N> 28 it is a mixture between exitonic and interband transitions. The latter is characteristic for graphite, indicating a crossover in the electronic structure. Our study shows that important elementary excitations in graphene occur at high binding energies and elucidate the differences in the way electrons interact in graphene and graphite.

Extrasolar Planet Transits Observed at Kitt Peak National Observatory

NASA Technical Reports Server (NTRS)

Sada, Pedro V.; Jennings, Donald E.; Deming, Drake; Jennings, Donald E.; Jackson, Brian; Hamilton, Catrina M.; Fraine, Jonathan; Peterson, Steven W.; Haase, Flynn; Bays, Kevin;

Transition energies and polarizabilities of hydrogen like ions in plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Das, Madhusmita

2012-09-15

Effect of plasma screening on various properties like transition energy, polarizability (dipole and quadrupole), etc. of hydrogen like ions is studied. The bound and free state wave functions and transition matrix elements are obtained by numerically integrating the radial Schrodinger equation for appropriate plasma potential. We have used adaptive step size controlled Runge-Kutta method to perform the numerical integration. Debye-Huckel potential is used to investigate the variation in transition lines and polarizabilities (dipole and quadrupole) with increasing plasma screening. For a strongly coupled plasma, ion sphere potential is used to show the variation in excitation energy with decreasing ion spheremore » radius. It is observed that plasma screening sets in phenomena like continuum lowering and pressure ionization, which are unique to ions in plasma. Of particular interest is the blue (red) shift in transitions conserving (non-conserving) principal quantum number. The plasma environment also affects the dipole and quadrupole polarizability of ions in a significant manner. The bound state contribution to polarizabilities decreases with increase in plasma density whereas the continuum contribution is significantly enhanced. This is a result of variation in the behavior of bound and continuum state wave functions in the presence of plasma. We have compared the results with existing theoretical and experimental data wherever present.« less

Synfuels and the energy transition

NASA Astrophysics Data System (ADS)

Balzhiser, R. E.

1981-08-01

Various synfuel options and their impact on the electric utility industry are discussed. The energy transition for the U.S.A. is seen as moving from natural fluid fuels to solid fuels and renewable energy resources. The key to this transition is electrification, which can encompass both nuclear and renewable resources, centralized and dispersed technologies. It is shown that the fraction of total energy converted to electricity has risen steadily for the past 30 years, reaching 33% last year. The abundance and cost of production of the various fossil energy resources, including natural gas, heavy oil, oil shale, and coal are considered. EPRI analyses indicate that an integrated-combined-cycle power plant could be competitive with conventional coal plant technology. These plants would use only half the water of current coal-fired plants, would meet tighter sulfur emission standards, and would produce a vitreous ash that is less leachable than the ash from today's coal plants. Solvent-refined coal processes, currently being developed in the U.S.A. are a second approach to converting coal to liquid fuels. It is pointed out, however, that synfuels will complement, not replace, other sources of energy in the continued electrification of the U.S.A.

Vertical coupling and transition energies in multilayer InAs/GaAs quantum-dot structures

NASA Astrophysics Data System (ADS)

Taddei, S.; Colocci, M.; Vinattieri, A.; Bogani, F.; Franchi, S.; Frigeri, P.; Lazzarini, L.; Salviati, G.

2000-10-01

Vertically ordered quantum dots in multilayer InAs/GaAs structures have attracted large interest in recent years for device application as light emitters. Contradictory claims on the dependence of the fundamental transition energy on the interlayer separation and number of dot layers have been reported in the literature. We show that either a blueshift or a redshift of the fundamental transition energy can be observed in different coupling conditions and straightforwardly explained by including strain, indium segregation, and electron-hole Coulomb interaction, in good agreement with experimental results.

Observation and modeling of deflagration-to-detonation (DDT) transition in low-density HMX

NASA Astrophysics Data System (ADS)

Tringe, Joseph; Vandersall, Kevin; Reaugh, Jack; Levie, Harold; Henson, Bryan; Smilowitz, Laura; Parker, Gary

2015-06-01

We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (~ 1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition, both by x-ray contrast and by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Characterizing Gaint Exoplanets through Multiwavelength Transit Observations

NASA Astrophysics Data System (ADS)

Kasper, David; Cole, Jackson L.; Gardner, Cristilyn N.; Garver, Bethany R.; Jarka, Kyla L.; Kar, Aman; McGough, Aylin M.; PeQueen, David J.; Rivera, Daniel Ivan; Jang-Condell, Hannah; Kobulnicky, Henry A.; Dale, Daniel A.

2018-01-01

Observing the characteristics of giant exoplanets is possible with ground-based telescopes and modern observational methods. We are performing characterizations of multiple giant exoplanets based on 85 allotted nights of transit observations with the 2.3 m Wyoming Infrared Observatory using Sloan filters. In particular, constraints can be made on the atmospheres of our targets from the wavelength (in)dependence in the depth of the transit observations. We present early multiwavelength photometric results on the exoplanet HD 189733 b with comparison to literature sources to exemplify the methodology employed. In total, 15 exoplanets were observed across multiple wavelengths. The majority of the observing allotted to the project was completed as part of the 2017 Summer REU at the University of Wyoming. This work will significantly contribute to the growing number of observed atmospheres and influence interpretation of future WFIRST, JWST, and TESS targets. This work is supported by the National Science Foundation under REU grant AST 1560461.

Characterizing Giant Exoplanets through Multiwavelength Transit Observations: XO-1 b

NASA Astrophysics Data System (ADS)

Cole, Jackson Lane; Gardner, Cristilyn N.; Garver, Bethany R.; Jarka, Kyla L.; Kar, Aman; McGough, Aylin M.; PeQueen, David J.; Rivera, Daniel Ivan; Kasper, David; Jang-Condell, Hannah; Kobulnicky, Henry; Dale, Daniel

2018-01-01

Multiwavelength observations of transiting exoplanets can reveal wavelength dependence of the observed transit depth (or a lack thereof), thereby allowing for thorough characterization of their atmospheres. In support of a larger project performing these characterizations of 12 transiting giant exoplanets through 66 nights of continuous observation at the 2.3 m Wyoming Infrared Observatory (WIRO), we report an updated ephemeris for transiting exoplanet XO- 1 b. We carried out an MCMC analysis on photometric data obtained using the standard broad bandpass Sloan filter system. Our data set for XO-1 b is the most limited of those contributing to the larger project, the target having only been successfully observed from the transit midpoint to the egress on one night with limited out-of-transit data available. Exoplanet XO-1 b is a planet transiting star XO-1 (GSC 02041-01657) of type G1 V with V = 11.19 McCullough et al. (2006). This work is supported by the National Science Foundation under REU grant AST 1560461.

Measurements of the spectrum and energy dependence of X-ray transition radiation

NASA Technical Reports Server (NTRS)

Cherry, M. L.

1978-01-01

The results of experiments designed to test the theory of X-ray transition radiation and to verify the predicted dependence of the characteristic features of the radiation on the radiator dimensions are presented. The X-ray frequency spectrum produced by 5- to 9-GeV electrons over the range 4 to 30 keV was measured with a calibrated single-crystal Bragg spectrometer, and at frequencies up to 100 keV with an NaI scintillator. The interference pattern in the spectrum and the hardening of the radiation with increasing foil thickness are clearly observed. The energy dependence of the total transition-radiation intensity was studied using a radiator with large dimensions designed to yield energy-dependent signals at very high particle energies, up to E/mc-squared approximately equal to 100,000. The results are in good agreement with the theoretical predictions.

Characterizing Giant Exoplanets through Multiwavelength Transit Observations: KELT-9b

NASA Astrophysics Data System (ADS)

Gardner, Cristilyn N.; Cole, Jackson L.; Garver, Bethany R.; Jarka, Kyla L.; Kar, Aman; McGough, Aylin M.; PeQueen, David J.; Rivera, Daniel I.; Kasper, David; Jang-Condell, Hannah; Kobulnicky, Henry A.; Dale, Daniel A.

2018-01-01

Multiwavelength observations of host stellar light scattered through an exoplanet's atmosphere during a transit characterizes exoplanetary parameters. Using the Wyoming Infrared Observatory 2.3-meter telescope, we observed primary transits of KELT-9b in the ugriz Sloan filters. We present an analysis of the phase-folded transit observations of KELT-9b using a Bayesian statistical approach. By plotting the transit depth as a function of wavelength, our preliminary results are indicative of scattering in the atmosphere surrounding KELT-9b. This work is supported by the National Science Foundation under REU grant AST 1560461 and PAARE grant AST 1559559.

Planetary transit observations at the University Observatory Jena: TrES-2

NASA Astrophysics Data System (ADS)

Raetz, St.; Mugrauer, M.; Schmidt, T. O. B.; Roell, T.; Eisenbeiss, T.; Hohle, M. M.; Koeltzsch, A.; Vaňko, M.; Ginski, Ch.; Marka, C.; Moualla, M.; Tetzlaff, N.; Seifahrt, A.; Broeg, Ch.; Koppenhoefer, J.; Raetz, M.; Neuhäuser, R.

2009-05-01

We report on observations of several transit events of the transiting planet TrES-2 obtained with the Cassegrain-Teleskop-Kamera at the University Observatory Jena. Between March 2007 and November 2008 ten different transits and almost a complete orbital period were observed. Overall, in 40 nights of observation 4291 exposures (in total 71.52 h of observation) of the TrES-2 parent star were taken. With the transit timings for TrES-2 from the 34 events published by the TrES-network, the Transit Light Curve project and the Exoplanet Transit Database plus our own ten transits, we find that the orbital period is P=(2.470614± 0.000001) d, a slight change by ˜ 0.6 s compared to the previously published period. We present new ephemeris for this transiting planet. Furthermore, we found a second dip after the transit which could either be due to a blended variable star or occultation of a second star or even an additional object in the system. Our observations will be useful for future investigations of timing variations caused by additional perturbing planets and/or stellar spots and/or moons. Based on observations obtained with telescopes of the University Observatory Jena, which is operated by the Astrophysical Institute of the Friedrich-Schiller-University Jena and the 80cm telescope of the Wendelstein Observatory of the Ludwig-Maximilians-University Munich.

[Relationships between settlement morphology transition and residents commuting energy consumption].

PubMed

Zhou, Jian; Xiao, Rong-Bo; Sun, Xiang

2013-07-01

Settlement morphology transition is triggered by rapid urbanization and urban expansion, but its relationships with residents commuting energy consumption remains ambiguous. It is of significance to understand the controlling mechanisms of sustainable public management policies on the energy consumption and greenhouse gases emission during the process of urban settlement morphology transition. Taking the Xiamen City of East China as a case, and by using the integrated land use and transportation modeling system TRANUS, a scenario analysis was made to study the effects of urban settlement morphology transition on the urban spatial distribution of population, jobs, and land use, and on the residents commuting energy consumption and greenhouse gasses emission under different scenarios. The results showed that under the Business As Usual (BAU) scenario, the energy consumption of the residents at the morning peak travel time was 54.35 tce, and the CO2 emission was 119.12 t. As compared with those under BAU scenario, both the energy consumption and the CO2 emission under the Transition of Settlement Morphology (TSM) scenario increased by 12%, and, with the implementation of the appropriate policies such as land use, transportation, and economy, the energy consumption and CO2 emission under the Transition of Settlement Morphology with Policies (TSMP) scenario reduced by 7%, indicating that urban public management policies could effectively control the growth of residents commuting energy consumption and greenhouse gases emission during the period of urban settlement morphology transition.

THE ROLE OF METASTABLE STATES IN POLYMER PHASE TRANSITIONS: Concepts, Principles, and Experimental Observations

NASA Astrophysics Data System (ADS)

Cheng, Stephen Z. D.; Keller, Andrew

1998-08-01

Polymer phases can be described in the same way as phases in other condensed matter using a number density operator and its correlation functions. This description requires the understanding of symmetry operations and order at different atomic and molecular levels. Statistical mechanics provides a link between the microscopic description of the structure and motion and the macroscopic thermodynamic properties. Within the limits of the laws of thermodynamics, polymers exhibit a rich variety of phase transition behaviors. By definition, a first-order phase transition describes a transformation that involves a sudden change of thermodynamic properties at its transition temperature, whereas higher-order phase transitions are classified as critical phenomena. Of special interest is the role of metastability in phase and phase transition behaviors. Although a metastable state possesses a local free energy minimum, it is not at the global equilibrium. Furthermore, metastable states can also be associated with phase sizes. Metastable behavior is also observed in phase transformations that are impeded by kinetic limitations along the pathway to thermodynamic equilibrium. This is illustrated in structural and morphological investigations of crystallization and mesophase transitions, liquid-liquid phase separation, vitrification, and gel formation, as well as combinations of transformation processes. In these cases, the metastable state often becomes the dominant state for the entire system and is observed over a range of time and size scales. This review describes the general principles of metastability in polymer phases and phase transitions and provides illustrations from current experimental works in selected areas.

Energy savings opportunities in the global digital television transition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Won Young; Gopal, Anand; Phadke, Amol

Globally, terrestrial television (TV) broadcasting is in the midst of a complete transition to digital signals. The last analog terrestrial broadcast is expected to be switched off in the early 2020s. This transition presents huge energy savings opportunities that have thus far been ignored. Digital TV switchovers have likely increased energy consumption as countries have completed transitions by providing digital TV converters to analog TV users, which increase energy consumption and extend the life of energy-inefficient analog TVs. We find that if analog TVs were retired at the time of a digital switchover and replaced with super-efficient flat-panel TVs, suchmore » as light-emitting diode (LED) backlit liquid crystal display (LCD) TVs, there is a combined electricity savings potential of 32 terawatt hours [TWh] per year in countries that have not yet completed their digital TV transition. In view of these findings as well as the dramatic drops of super-efficient TV prices and the unique early-retirement opportunity resulting from cessation of terrestrial analog broadcasts, TV-exchange programs would easily and substantially advance energy efficiency.« less

Energy savings opportunities in the global digital television transition

DOE PAGES

Park, Won Young; Gopal, Anand; Phadke, Amol

2016-12-20

Globally, terrestrial television (TV) broadcasting is in the midst of a complete transition to digital signals. The last analog terrestrial broadcast is expected to be switched off in the early 2020s. This transition presents huge energy savings opportunities that have thus far been ignored. Digital TV switchovers have likely increased energy consumption as countries have completed transitions by providing digital TV converters to analog TV users, which increase energy consumption and extend the life of energy-inefficient analog TVs. We find that if analog TVs were retired at the time of a digital switchover and replaced with super-efficient flat-panel TVs, suchmore » as light-emitting diode (LED) backlit liquid crystal display (LCD) TVs, there is a combined electricity savings potential of 32 terawatt hours [TWh] per year in countries that have not yet completed their digital TV transition. In view of these findings as well as the dramatic drops of super-efficient TV prices and the unique early-retirement opportunity resulting from cessation of terrestrial analog broadcasts, TV-exchange programs would easily and substantially advance energy efficiency.« less

Consolidation of hydrophobic transition criteria by using an approximate energy minimization approach.

PubMed

Patankar, Neelesh A

2010-06-01

Recent experimental work has successfully revealed pressure induced transition from Cassie to Wenzel state on rough hydrophobic substrates. Formulas, based on geometric considerations and imposed pressure, have been developed as transition criteria. In the past, transition has also been considered as a process of overcoming the energy barrier between the Cassie and Wenzel states. A unified understanding of the various considerations of transition has not been apparent. To address this issue, in this work, we consolidate the transition criteria with a homogenized energy minimization approach. This approach decouples the problem of minimizing the energy to wet the rough substrate, from the energy of the macroscopic drop. It is seen that the transition from Cassie to Wenzel state, due to depinning of the liquid-air interface, emerges from the approximate energy minimization approach if the pressure-volume energy associated with the impaled liquid in the roughness is included. This transition can be viewed as a process in which the work done by the pressure force is greater than the barrier due to the surface energy associated with wetting the roughness. It is argued that another transition mechanism, due to a sagging liquid-air interface that touches the bottom of the roughness grooves, is not typically relevant if the substrate roughness is designed such that the Cassie state is at lower energy compared to the Wenzel state.

Titan solar occultation observations reveal transit spectra of a hazy world.

PubMed

Robinson, Tyler D; Maltagliati, Luca; Marley, Mark S; Fortney, Jonathan J

2014-06-24

High-altitude clouds and hazes are integral to understanding exoplanet observations, and are proposed to explain observed featureless transit spectra. However, it is difficult to make inferences from these data because of the need to disentangle effects of gas absorption from haze extinction. Here, we turn to the quintessential hazy world, Titan, to clarify how high-altitude hazes influence transit spectra. We use solar occultation observations of Titan's atmosphere from the Visual and Infrared Mapping Spectrometer aboard National Aeronautics and Space Administration's (NASA) Cassini spacecraft to generate transit spectra. Data span 0.88-5 μm at a resolution of 12-18 nm, with uncertainties typically smaller than 1%. Our approach exploits symmetry between occultations and transits, producing transit radius spectra that inherently include the effects of haze multiple scattering, refraction, and gas absorption. We use a simple model of haze extinction to explore how Titan's haze affects its transit spectrum. Our spectra show strong methane-absorption features, and weaker features due to other gases. Most importantly, the data demonstrate that high-altitude hazes can severely limit the atmospheric depths probed by transit spectra, bounding observations to pressures smaller than 0.1-10 mbar, depending on wavelength. Unlike the usual assumption made when modeling and interpreting transit observations of potentially hazy worlds, the slope set by haze in our spectra is not flat, and creates a variation in transit height whose magnitude is comparable to those from the strongest gaseous-absorption features. These findings have important consequences for interpreting future exoplanet observations, including those from NASA's James Webb Space Telescope.

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

PubMed

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.

Direct observation of a Γ -X energy spectrum transition in narrow AlAs quantum wells

NASA Astrophysics Data System (ADS)

Khisameeva, A. R.; Shchepetilnikov, A. V.; Muravev, V. M.; Gubarev, S. I.; Frolov, D. D.; Nefyodov, Yu. A.; Kukushkin, I. V.; Reichl, C.; Tiemann, L.; Dietsche, W.; Wegscheider, W.

2018-03-01

Spectra of magnetoplasma excitations have been investigated in two-dimensional electron systems in AlAs quantum wells (QWs) of different widths. The magnetoplasma spectrum has been found to change profoundly when the quantum well width becomes thinner than 5.5 nm, indicating a drastic change in the conduction electron energy spectrum. The transformation can be interpreted in terms of transition from the in-plane strongly anisotropic Xx-Xy valley occupation to the out-of-plane isotropic Xz valley in the QW plane. Strong enhancement of the cyclotron effective mass over the band value in narrow AlAs QWs is reported.

Survey of CRISM Transition Phase Observations

NASA Astrophysics Data System (ADS)

Seelos, F. P.; Murchie, S. L.; Choo, T. H.; McGovern, J. A.

2006-12-01

The Mars Reconnaissance Orbiter (MRO) transition phase extends from the end of aerobraking (08/30/06) to the start of the Primary Science Phase (PSP) (11/08/2006). Within this timeframe, the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) will acquire Mars scene observations in association with the deployment of the telescope cover (09/27/06) and during the operational checkout of the full science payload (09/29/06 - 10/05/06). The CRISM cover opening sequence includes scene observations that will be used to verify deployment and to validate the on-orbit instrument wavelength calibration. The limited cover opening observation set consists of: 1. A hyperspectral nadir scan acquired as the cover is deployed (first light) 2. A single targeted (gimbaled) hyperspectral observation in the northern plains 3. A restricted duration nadir multispectral strip The high level objectives for the science payload checkout are to obtain observations in support of in-flight wavelength, radiometric, and geometric instrument calibration, to acquire data that will contribute to the development of a first-order hyperspectral atmospheric correction, and to exercise numerous spacecraft and instrument observing modes and strategies that will be employed during PSP. The science payload checkout also enables a unique collaboration between the Mars Express OMEGA and CRISM teams, with both spectrometers slated to observe common target locations with a minimal time offset for the purpose of instrument cross-calibration. The priority CRISM observations for the payload checkout include: 1. Multispectral nadir and hyperspectral off-nadir targeted observations in support of the cross-calibration experiment with OMEGA 2. Terminator-to-terminator multispectral data acquisition demonstrating the strategy that will be used to construct the global multispectral survey map 3. Terminator-to-terminator atmospheric emission phase function (EPF) data acquisition demonstrating the observation

Energy barriers between metastable states in first-order quantum phase transitions

NASA Astrophysics Data System (ADS)

Wald, Sascha; Timpanaro, André M.; Cormick, Cecilia; Landi, Gabriel T.

2018-02-01

A system of neutral atoms trapped in an optical lattice and dispersively coupled to the field of an optical cavity can realize a variation of the Bose-Hubbard model with infinite-range interactions. This model exhibits a first-order quantum phase transition between a Mott insulator and a charge density wave, with spontaneous symmetry breaking between even and odd sites, as was recently observed experimentally [Landig et al., Nature (London) 532, 476 (2016), 10.1038/nature17409]. In the present paper, we approach the analysis of this transition using a variational model which allows us to establish the notion of an energy barrier separating the two phases. Using a discrete WKB method, we then show that the local tunneling of atoms between adjacent sites lowers this energy barrier and hence facilitates the transition. Within our simplified description, we are thus able to augment the phase diagram of the model with information concerning the height of the barrier separating the metastable minima from the global minimum in each phase, which is an essential aspect for the understanding of the reconfiguration dynamics induced by a quench across a quantum critical point.

Characterizing Giant Exoplanets through Multiwavelength Transit Observations: HAT-P-57 b

NASA Astrophysics Data System (ADS)

Garver, Bethany Ray; Cole, Jackson Lane; Gardner, Cristilyn N.; Jarka, Kyla L.; Kar, Aman; McGough, Aylin M.; PeQueen, David Jeffrey; Rivera, Daniel Ivan; Kasper, David; Jang-Condell, Hannah; Kobulnicky, Henry; Dale, Daniel

2018-01-01

Giant planets have thick atmospheres. By observing transits through multiple filters at different wavelengths, we can make constraints on the atmospheres of those planets. When the planets are observed via transit, Rayleigh scattering can cause the transit depth to vary with wavelength. HAT-P-57 b is a giant exoplanet that is observable using the 2.3-meter telescope at the Wyoming Infrared Observatory. We observed half of a transit of HAT-P-57 b using Sloan filters g, r, i, and z. We present early results showing a variation in calculated radius with wavelength. Further observations are needed to confirm this variation and measure it more accurately. This work is supported by the National Science Foundation under REU grant AST 1560461.

Titan solar occultation observations reveal transit spectra of a hazy world

PubMed Central

Robinson, Tyler D.; Maltagliati, Luca; Marley, Mark S.; Fortney, Jonathan J.

2014-01-01

High-altitude clouds and hazes are integral to understanding exoplanet observations, and are proposed to explain observed featureless transit spectra. However, it is difficult to make inferences from these data because of the need to disentangle effects of gas absorption from haze extinction. Here, we turn to the quintessential hazy world, Titan, to clarify how high-altitude hazes influence transit spectra. We use solar occultation observations of Titan’s atmosphere from the Visual and Infrared Mapping Spectrometer aboard National Aeronautics and Space Administration’s (NASA) Cassini spacecraft to generate transit spectra. Data span 0.88–5 μm at a resolution of 12–18 nm, with uncertainties typically smaller than 1%. Our approach exploits symmetry between occultations and transits, producing transit radius spectra that inherently include the effects of haze multiple scattering, refraction, and gas absorption. We use a simple model of haze extinction to explore how Titan’s haze affects its transit spectrum. Our spectra show strong methane-absorption features, and weaker features due to other gases. Most importantly, the data demonstrate that high-altitude hazes can severely limit the atmospheric depths probed by transit spectra, bounding observations to pressures smaller than 0.1–10 mbar, depending on wavelength. Unlike the usual assumption made when modeling and interpreting transit observations of potentially hazy worlds, the slope set by haze in our spectra is not flat, and creates a variation in transit height whose magnitude is comparable to those from the strongest gaseous-absorption features. These findings have important consequences for interpreting future exoplanet observations, including those from NASA’s James Webb Space Telescope. PMID:24876272

Input-Independent Energy Harvesting in Bistable Lattices from Transition Waves.

PubMed

Hwang, Myungwon; Arrieta, Andres F

2018-02-26

We demonstrate the utilisation of transition waves for realising input-invariant, frequency-independent energy harvesting in 1D lattices of bistable elements. We propose a metamaterial-inspired design with an integrated electromechanical transduction mechanism to the unit cell, rendering the power conversion capability an intrinsic property of the lattice. Moreover, focusing of transmitted energy to desired locations is demonstrated numerically and experimentally by introducing engineered defects in the form of perturbation in mass or inter-element forcing. We achieve further localisation of energy and numerically observe a breather-like mode for the first time in this type of lattice, improving the harvesting performance by an order of magnitude. Our approach considers generic bistable unit cells and thus provides a universal mechanism to harvest energy and realise metamaterials effectively behaving as a capacitor and power delivery system.

Implications of net energy-return-on-investment for a low-carbon energy transition

NASA Astrophysics Data System (ADS)

King, Lewis C.; van den Bergh, Jeroen C. J. M.

2018-04-01

Low-carbon energy transitions aim to stay within a carbon budget that limits potential climate change to 2 °C—or well below—through a substantial growth in renewable energy sources alongside improved energy efficiency and carbon capture and storage. Current scenarios tend to overlook their low net energy returns compared to the existing fossil fuel infrastructure. Correcting from gross to net energy, we show that a low-carbon transition would probably lead to a 24-31% decline in net energy per capita by 2050, which implies a strong reversal of the recent rising trends of 0.5% per annum. Unless vast end-use efficiency savings can be achieved in the coming decades, current lifestyles might be impaired. To maintain the present net energy returns, solar and wind renewable power sources should grow two to three times faster than in other proposals. We suggest a new indicator, `energy return on carbon', to assist in maximizing the net energy from the remaining carbon budget.

Understanding the human dimensions of a sustainable energy transition.

PubMed

Steg, Linda; Perlaviciute, Goda; van der Werff, Ellen

2015-01-01

Global climate change threatens the health, economic prospects, and basic food and water sources of people. A wide range of changes in household energy behavior is needed to realize a sustainable energy transition. We propose a general framework to understand and encourage sustainable energy behaviors, comprising four key issues. First, we need to identify which behaviors need to be changed. A sustainable energy transition involves changes in a wide range of energy behaviors, including the adoption of sustainable energy sources and energy-efficient technology, investments in energy efficiency measures in buildings, and changes in direct and indirect energy use behavior. Second, we need to understand which factors underlie these different types of sustainable energy behaviors. We discuss three main factors that influence sustainable energy behaviors: knowledge, motivations, and contextual factors. Third, we need to test the effects of interventions aimed to promote sustainable energy behaviors. Interventions can be aimed at changing the actual costs and benefits of behavior, or at changing people's perceptions and evaluations of different costs and benefits of behavioral options. Fourth, it is important to understand which factors affect the acceptability of energy policies and energy systems changes. We discuss important findings from psychological studies on these four topics, and propose a research agenda to further explore these topics. We emphasize the need of an integrated approach in studying the human dimensions of a sustainable energy transition that increases our understanding of which general factors affect a wide range of energy behaviors as well as the acceptability of different energy policies and energy system changes.

Understanding the human dimensions of a sustainable energy transition

PubMed Central

Steg, Linda; Perlaviciute, Goda; van der Werff, Ellen

2015-01-01

Global climate change threatens the health, economic prospects, and basic food and water sources of people. A wide range of changes in household energy behavior is needed to realize a sustainable energy transition. We propose a general framework to understand and encourage sustainable energy behaviors, comprising four key issues. First, we need to identify which behaviors need to be changed. A sustainable energy transition involves changes in a wide range of energy behaviors, including the adoption of sustainable energy sources and energy-efficient technology, investments in energy efficiency measures in buildings, and changes in direct and indirect energy use behavior. Second, we need to understand which factors underlie these different types of sustainable energy behaviors. We discuss three main factors that influence sustainable energy behaviors: knowledge, motivations, and contextual factors. Third, we need to test the effects of interventions aimed to promote sustainable energy behaviors. Interventions can be aimed at changing the actual costs and benefits of behavior, or at changing people’s perceptions and evaluations of different costs and benefits of behavioral options. Fourth, it is important to understand which factors affect the acceptability of energy policies and energy systems changes. We discuss important findings from psychological studies on these four topics, and propose a research agenda to further explore these topics. We emphasize the need of an integrated approach in studying the human dimensions of a sustainable energy transition that increases our understanding of which general factors affect a wide range of energy behaviors as well as the acceptability of different energy policies and energy system changes. PMID:26136705

Transition Region and Chromospheric Signatures of Impulsive Heating Events. I. Observations

NASA Astrophysics Data System (ADS)

Warren, Harry P.; Reep, Jeffrey W.; Crump, Nicholas A.; Simões, Paulo J. A.

2016-09-01

We exploit the high spatial resolution and high cadence of the Interface Region Imaging Spectrograph (IRIS) to investigate the response of the transition region and chromosphere to energy deposition during a small flare. Simultaneous observations from the Reuven Ramaty High Energy Solar Spectroscopic Imager provide constraints on the energetic electrons precipitating into the flare footpoints, while observations of the X-Ray Telescope, Atmospheric Imaging Assembly, and Extreme Ultraviolet Imaging Spectrometer (EIS) allow us to measure the temperatures and emission measures from the resulting flare loops. We find clear evidence for heating over an extended period on the spatial scale of a single IRIS pixel. During the impulsive phase of this event, the intensities in each pixel for the Si IV 1402.770 Å, C II 1334.535 Å, Mg II 2796.354 Å, and O I 1355.598 Å emission lines are characterized by numerous small-scale bursts typically lasting 60 s or less. Redshifts are observed in Si IV, C II, and Mg II during the impulsive phase. Mg II shows redshifts during the bursts and stationary emission at other times. The Si IV and C II profiles, in contrast, are observed to be redshifted at all times during the impulsive phase. These persistent redshifts are a challenge for one-dimensional hydrodynamic models, which predict only short-duration downflows in response to impulsive heating. We conjecture that energy is being released on many small-scale filaments with a power-law distribution of heating rates.

Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations

PubMed Central

Lapelosa, Mauro; Gallicchio, Emilio; Levy, Ronald M.

2011-01-01

The Binding Energy Distribution Analysis Method (BEDAM) is employed to compute the standard binding free energies of a series of ligands to a FK506 binding protein (FKBP12) with implicit solvation. Binding free energy estimates are in reasonably good agreement with experimental affinities. The conformations of the complexes identified by the simulations are in good agreement with crystallographic data, which was not used to restrain ligand orientations. The BEDAM method is based on λ -hopping Hamiltonian parallel Replica Exchange (HREM) molecular dynamics conformational sampling, the OPLS-AA/AGBNP2 effective potential, and multi-state free energy estimators (MBAR). Achieving converged and accurate results depends on all of these elements of the calculation. Convergence of the binding free energy is tied to the level of convergence of binding energy distributions at critical intermediate states where bound and unbound states are at equilibrium, and where the rate of binding/unbinding conformational transitions is maximal. This finding mirrors similar observations in the context of order/disorder transitions as for example in protein folding. Insights concerning the physical mechanism of ligand binding and unbinding are obtained. Convergence for the largest FK506 ligand is achieved only after imposing strict conformational restraints, which however require accurate prior structural knowledge of the structure of the complex. The analytical AGBNP2 model is found to underestimate the magnitude of the hydrophobic driving force towards binding in these systems characterized by loosely packed protein-ligand binding interfaces. Rescoring of the binding energies using a numerical surface area model corrects this deficiency. This study illustrates the complex interplay between energy models, exploration of conformational space, and free energy estimators needed to obtain robust estimates from binding free energy calculations. PMID:22368530

Higher-order symmetry energy and neutron star core-crust transition with Gogny forces

NASA Astrophysics Data System (ADS)

Gonzalez-Boquera, C.; Centelles, M.; Viñas, X.; Rios, A.

2017-12-01

Background: An accurate determination of the core-crust transition is necessary in the modeling of neutron stars for astrophysical purposes. The transition is intimately related to the isospin dependence of the nuclear force at low baryon densities. Purpose: To study the symmetry energy and the core-crust transition in neutron stars using the finite-range Gogny nuclear interaction and to examine the deduced crustal thickness and crustal moment of inertia. Methods: The second-, fourth-, and sixth-order coefficients of the Taylor expansion of the energy per particle in powers of the isospin asymmetry are analyzed for Gogny forces. These coefficients provide information about the departure of the symmetry energy from the widely used parabolic law. The neutron star core-crust transition is evaluated by looking at the onset of thermodynamical instability of the liquid core. The calculation is performed with the exact Gogny equation of state (EoS) (i.e., the Gogny EoS with the full isospin dependence) for the β -equilibrated matter of the core, and also with the Taylor expansion of the Gogny EoS in order to assess the influence of isospin expansions on locating the inner edge of neutron star crusts. Results: The properties of the core-crust transition derived from the exact EoS differ from the predictions of the Taylor expansion even when the expansion is carried through sixth order in the isospin asymmetry. Gogny forces, using the exact EoS, predict the ranges 0.094 fm-3≲ρt≲0.118 fm-3 for the transition density and 0.339 MeVfm-3≲Pt≲0.665 MeVfm-3 for the transition pressure. The transition densities show an anticorrelation with the slope parameter L of the symmetry energy. The transition pressures are not found to correlate with L . Neutron stars obtained with Gogny forces have maximum masses below 1.74 M⊙ and relatively small moments of inertia. The crustal mass and moment of inertia are evaluated and comparisons are made with the constraints from observed

Reflection high energy electron diffraction observation of surface mass transport at the two- to three-dimensional growth transition of InAs on GaAs(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patella, F.; Arciprete, F.; Fanfoni, M.

2005-12-19

We have followed by reflection high-energy electron diffraction the nucleation of InAs quantum dots on GaAs(001), grown by molecular-beam epitaxy with growth interruptions. Surface mass transport gives rise, at the critical InAs thickness, to a huge nucleation of three-dimensional islands within 0.2 monolayers (ML). Such surface mass diffusion has been evidenced by observing the transition of the reflection high-energy electron diffraction pattern from two- to three-dimensional during the growth interruption after the deposition of 1.59 ML of InAs. It is suggested that the process is driven by the As{sub 2} adsorption-desorption process and by the lowering of the In bindingmore » energy due to compressive strain. The last condition is met first in the region surrounding dots at step edges where nucleation predominantly occurs.« less

Free energy and phase transition of the matrix model on a plane wave

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hadizadeh, Shirin; Ramadanovic, Bojan; Semenoff, Gordon W.

2005-03-15

It has recently been observed that the weakly coupled plane-wave matrix model has a density of states which grows exponentially at high energy. This implies that the model has a phase transition. The transition appears to be of first order. However, its exact nature is sensitive to interactions. In this paper, we analyze the effect of interactions by computing the relevant parts of the effective potential for the Polyakov loop operator in the finite temperature plane-wave matrix model to three-loop order. We show that the phase transition is indeed of first order. We also compute the correction to the Hagedornmore » temperature to order two loops.« less

3.3 CM JVLA Observations of Transitional Disks: Searching for Centimeter Pebbles

NASA Astrophysics Data System (ADS)

Zapata, Luis A.; Rodríguez, Luis F.; Palau, Aina

2017-01-01

We present sensitive (rms-noises ˜4-25 μJy) and high angular resolution (˜1″-2″) 8.9 GHz (3.3 cm) Karl G. Jansky Very Large Array radio continuum observations of 10 presumed transitional disks associated with young low-mass stars. We report the detection of radio continuum emission in 5 out of the 10 objects (RXJ1615, UX Tau A, LkCa15, RXJ1633, and SR 24s). In the case of LkCa15, the centimeter emission is extended, and has a similar morphology to that of the transitional disk observed at millimeter wavelengths with an inner depression. For these five detections, we construct the spectral energy distributions from the centimeter to submillimeter wavelengths, and find that they can be well fitted with a single (RXJ1633 and UX Tau A) or a two-component power law (LkCa15, RXJ1615, and SR 24s). For the cases where a single power law fits the data well, the centimeter emission is likely produced by optically thin dust with large grains (I.e., centimeter-size pebbles) present in the transitional disks. For the cases where a double power law fits the data, the centimeter emission might be produced by the combination of photoevaporation and a free-free jet. We conclude that RXJ1633 and UX Tau A are excellent examples of transitional disks where the structure of the emission from centimeter/millimeter pebbles can be studied. In the other cases, some other physical emitting mechanisms are also important in the centimeter regime.

Transition Region Emission and the Energy Input to Thermal Plasma in Solar Flares

NASA Technical Reports Server (NTRS)

Holman, Gordon D.; Holman, Gordon D.; Dennis, Brian R.; Haga, Leah; Raymond, John C.; Panasyuk, Alexander

2005-01-01

Understanding the energetics of solar flares depends on obtaining reliable determinations of the energy input to flare plasma. X-ray observations of the thermal bremsstrahlung from hot flare plasma provide temperatures and emission measures which, along with estimates of the plasma volume, allow the energy content of this hot plasma to be computed. However, if thermal energy losses are significant or if significant energy goes directly into cooler plasma, this is only a lower limit on the total energy injected into thermal plasma during the flare. We use SOHO UVCS observations of O VI flare emission scattered by coronal O VI ions to deduce the flare emission at transition region temperatures between 100,000 K and 1 MK for the 2002 July 23 and other flares. We find that the radiated energy at these temperatures significantly increases the deduced energy input to the thermal plasma, but by an amount that is less than the uncertainty in the computed energies. Comparisons of computed thermal and nonthermal electron energies deduced from RHESSI, GOES, and UVCS are shown.

Energy balance in the solar transition region. II - Effects of pressure and energy input on hydrostatic models

NASA Technical Reports Server (NTRS)

Fontenla, J. M.; Avrett, E. H.; Loeser, R.

1991-01-01

The radiation of energy by hydrogen lines and continua in hydrostatic energy-balance models of the transition region between the solar chromosphere and corona is studied using models which assume that mechanical or magnetic energy is dissipated in the hot corona and is then transported toward the chromosphere down the steep temperature gradient of the transition region. These models explain the average quiet sun and also the entire range of variability of the Ly-alpha lines. The relations between the downward energy flux, the pressure of the transition region, and the different hydrogen emission are described.

Serious simulation game development for energy transition education using integrated framework game design

NASA Astrophysics Data System (ADS)

Destyanto, A. R.; Putri, O. A.; Hidayatno, A.

2017-11-01

Due to the advantages that serious simulation game offered, many areas of studies, including energy, have used serious simulation games as their instruments. However, serious simulation games in the field of energy transition still have few attentions. In this study, serious simulation game is developed and tested as the activity of public education about energy transition which is a conversion from oil to natural gas program. The aim of the game development is to create understanding and awareness about the importance of energy transition for society in accelerating the process of energy transition in Indonesia since 1987 the energy transition program has not achieved the conversion target yet due to the lack of education about energy transition for society. Developed as a digital serious simulation game following the framework of integrated game design, the Transergy game has been tested to 15 users and then analysed. The result of verification and validation of the game shows that Transergy gives significance to the users for understanding and triggering the needs of oil to natural gas conversion.

Observable consequences of zero-point energy

NASA Astrophysics Data System (ADS)

Sen, Siddhartha; Gupta, Kumar S.

2017-12-01

Spectral line widths, the Lamb shift and the Casimir effect are generally accepted to be observable consequences of the zero-point electromagnetic (ZPEM) fields. A new class of observable consequences of ZPEM field at the mesoscopic scale were recently proposed and observed. Here, we extend this class of observable effects and predict that mesoscopic water layers should have a high value for its solid-liquid phase transition temperature, as illustrated by water inside a single-walled carbon nanotube (CNT). For this case, our analysis predicts that the phase transition temperature scales inversely with the square of the effective radius available for the water flow within the CNT.

Structure of the plasmapause from ISEE 1 low-energy ion and plasma wave observations

NASA Technical Reports Server (NTRS)

Nagai, T.; Horwitz, J. L.; Anderson, R. R.; Chappell, C. R.

1985-01-01

Low-energy ion pitch angle distributions are compared with plasma density profiles in the near-earth magnetosphere using ISEE 1 observations. The classical plasmapause determined by the sharp density gradient is not always observed in the dayside region, whereas there almost always exists the ion pitch angle distribution transition from cold, isotropic to warm, bidirectional, field-aligned distributions. In the nightside region the plasmapause density gradient is typically found, and it normally coincides with the ion pitch angle distribution transition. The sunward motion of the plasma is found in the outer part of the 'plasmaspheric' plasma in the dusk bulge region.

Trends in Ionization Energy of Transition-Metal Elements

ERIC Educational Resources Information Center

Matsumoto, Paul S.

2005-01-01

A rationale for the difference in the periodic trends in the ionization energy of the transition-metal elements versus the main-group elements is presented. The difference is that in the transition-metal elements, the electrons enter an inner-shell electron orbital, while in the main-group elements, the electrons enter an outer-shell electron…

Observations and Modeling of Transition Region and Coronal Heating Associated with Spicules

NASA Astrophysics Data System (ADS)

De Pontieu, B.; Martinez-Sykora, J.; De Moortel, I.; Chintzoglou, G.; McIntosh, S. W.

2017-12-01

Spicules have been proposed as significant contributorsto the coronal energy and mass balance. While previous observationshave provided a glimpse of short-lived transient brightenings in thecorona that are associated with spicules, these observations have beencontested and are the subject of a vigorous debate both on the modelingand the observational side so that it remains unclear whether plasmais heated to coronal temperatures in association with spicules. We use high-resolution observations of the chromosphere and transition region with the Interface Region Imaging Spectrograph (IRIS) and ofthe corona with the Atmospheric Imaging Assembly (AIA) onboard theSolar Dynamics Observatory (SDO) to show evidence of the formation of coronal structures as a result of spicular mass ejections andheating of plasma to transition region and coronaltemperatures. Our observations suggest that a significant fraction of the highly dynamic loop fan environment associated with plage regions may be the result of the formation of such new coronal strands, a process that previously had been interpreted as the propagation of transient propagating coronal disturbances (PCD)s. Our observationsare supported by 2.5D radiative MHD simulations that show heating tocoronal temperatures in association with spicules. Our results suggest that heating and strong flows play an important role in maintaining the substructure of loop fans, in addition to the waves that permeate this low coronal environment. Our models also matches observations ofTR counterparts of spicules and provides an elegant explanation forthe high apparent speeds of these "network jets".

Transition through co-optation: Harnessing carbon democracy for clean energy

NASA Astrophysics Data System (ADS)

Meng, Kathryn-Louise

This dissertation explores barriers to a clean energy transition in the United States. Clean energy is demonstrably viable, yet the pace of clean energy adoption in the U.S. is slow, particularly given the immediate threat of global climate change. The purpose of this dissertation is to examine the factors inhibiting a domestic energy transition and to propose pragmatic approaches to catalyzing a transition. The first article examines the current political-economic and socio-technical energy landscape in the U.S. Fossil fuels are central to the functioning of the American economy. Given this centrality, constellations of power have been constructed around the reliable and affordable access of fossil fuels. The fossil fuel energy regime is comprised of: political-economic networks with vested interests in continued fossil fuel reliance, and fixed infrastructure that is minimally compatible with distributed generation. A transition to clean energy threatens the profitability of fossil fuel regime actors. Harnessing structural critiques from political ecology and process and function-oriented socio-technical systems frameworks, I present a multi-level approach to identifying pragmatic means to catalyzing an energy transition. High-level solutions confront the existing structure, mid-level solutions harness synergy with the existing structure, and low-level solutions lie outside of the energy system or foster the TIS. This is exemplified using a case study of solar development in Massachusetts. Article two presents a case study of the clean energy technological innovation system (TIS) in Massachusetts. I examine the actors and institutions that support cleantech development. Further, I scrutinize the actors and institutions that help sustain the TIS support system. The concept of a catalyst is presented; a catalyst is an actor that serves to propel TIS functions. Catalysts are critical to facilitating anchoring. Strategic corporate partners are identified as powerful

Direct observation of molecular cooperativity near the glass transition.

PubMed

Russell, E V; Israeloff, N E

2000-12-07

The increasingly sluggish response of a supercooled liquid as it nears its glass transition (for example, refrigerated honey) is prototypical of glassy dynamics found in proteins, neural networks and superconductors. The notion that molecules rearrange cooperatively has long been postulated to explain diverging relaxation times and broadened (non-exponential) response functions near the glass transition. Recently, cooperativity was observed and analysed in colloid glasses and in simulations of binary liquids well above the glass transition. But nanometre-scale studies of cooperativity at the molecular glass transition are lacking. Important issues to be resolved include the precise form of the cooperativity and its length scale, and whether the broadened response is intrinsic to individual cooperative regions, or arises only from heterogeneity in an ensemble of such regions. Here we describe direct observations of molecular cooperativity near the glass transition in polyvinylacetate (PVAc), using nanometre-scale probing of dielectric fluctuations. Molecular clusters switched spontaneously among two to four distinct configurations, producing random telegraph noise. Our analysis of these noise signals and their power spectra reveals that individual clusters exhibit transient dynamical heterogeneity and non-exponential kinetics.

Recommended Rest Frequencies for Observed Interstellar Molecular Microwave Transitions - 2002 Revision

National Institute of Standards and Technology Data Gateway

SRD 116 NIST Recommended Rest Frequencies for Observed Interstellar Molecular Microwave Transitions - 2002 Revision (Web, free access)   Critically evaluated transition frequencies for the molecular transitions detected in interstellar and circumstellar clouds are presented.

Altitude transitions in energy climbs

NASA Technical Reports Server (NTRS)

Weston, A. R.; Cliff, E. M.; Kelley, H. J.

1982-01-01

The aircraft energy-climb trajectory for configurations with a sharp transonic drag rise is well known to possess two branches in the altitude/Mach-number plane. Transition in altitude between the two branches occurs instantaneously, a 'corner' in the minimum-time solution obtained with the energy-state model. If the initial and final values of altitude do not lie on the energy-climb trajectory, then additional jumps (crude approximations to dives and zooms) are required at the initial and terminal points. With a singular-perturbation approach, a 'boundary-layer' correction is obtained for each altitude jump, the transonic jump being a so-called 'internal' boundary layer, different in character from the initial and terminal layers. The determination of this internal boundary layer is examined and some computational results for an example presented.

3.3 CM JVLA OBSERVATIONS OF TRANSITIONAL DISKS: SEARCHING FOR CENTIMETER PEBBLES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zapata, Luis A.; Rodríguez, Luis F.; Palau, Aina, E-mail: lzapata@crya.unam.mx

We present sensitive (rms-noises ∼4–25 μ Jy) and high angular resolution (∼1″–2″) 8.9 GHz (3.3 cm) Karl G. Jansky Very Large Array radio continuum observations of 10 presumed transitional disks associated with young low-mass stars. We report the detection of radio continuum emission in 5 out of the 10 objects (RXJ1615, UX Tau A, LkCa15, RXJ1633, and SR 24s). In the case of LkCa15, the centimeter emission is extended, and has a similar morphology to that of the transitional disk observed at millimeter wavelengths with an inner depression. For these five detections, we construct the spectral energy distributions from themore » centimeter to submillimeter wavelengths, and find that they can be well fitted with a single (RXJ1633 and UX Tau A) or a two-component power law (LkCa15, RXJ1615, and SR 24s). For the cases where a single power law fits the data well, the centimeter emission is likely produced by optically thin dust with large grains (i.e., centimeter-size pebbles) present in the transitional disks. For the cases where a double power law fits the data, the centimeter emission might be produced by the combination of photoevaporation and a free–free jet. We conclude that RXJ1633 and UX Tau A are excellent examples of transitional disks where the structure of the emission from centimeter/millimeter pebbles can be studied. In the other cases, some other physical emitting mechanisms are also important in the centimeter regime.« less

The multi-level perspective analysis: Indonesia geothermal energy transition study

NASA Astrophysics Data System (ADS)

Wisaksono, A.; Murphy, J.; Sharp, J. H.; Younger, P. L.

2018-01-01

The study adopts a multi-level perspective in technology transition to analyse how the transition process in the development of geothermal energy in Indonesia is able to compete against the incumbent fossil-fuelled energy sources. Three levels of multi-level perspective are socio-technical landscape (ST-landscape), socio-technical regime (ST-regime) and niche innovations in Indonesia geothermal development. The identification, mapping and analysis of the dynamic relationship between each level are the important pillars of the multi-level perspective framework. The analysis considers the set of rules, actors and controversies that may arise in the technological transition process. The identified geothermal resource risks are the basis of the emerging geothermal technological innovations in Indonesian geothermal. The analysis of this study reveals the transition pathway, which yields a forecast for the Indonesian geothermal technology transition in the form of scenarios and probable impacts.

Thouless energy and multifractality across the many-body localization transition

NASA Astrophysics Data System (ADS)

Serbyn, Maksym; Papić, Z.; Abanin, Dmitry A.

2017-09-01

Thermal and many-body localized phases are separated by a dynamical phase transition of a new kind. We analyze the distribution of off-diagonal matrix elements of local operators across this transition in two different models of disordered spin chains. We show that the behavior of matrix elements can be used to characterize the breakdown of thermalization and to extract the many-body Thouless energy. We find that upon increasing the disorder strength the system enters a critical region around the many-body localization transition. The properties of the system in this region are: (i) the Thouless energy becomes smaller than the level spacing, (ii) the matrix elements show critical dependence on the energy difference, and (iii) the matrix elements, viewed as amplitudes of a fictitious wave function, exhibit strong multifractality. This critical region decreases with the system size, which we interpret as evidence for a diverging correlation length at the many-body localization transition. Our findings show that the correlation length becomes larger than the accessible system sizes in a broad range of disorder strength values and shed light on the critical behavior near the many-body localization transition.

Energy transition in transport sector from energy substitution perspective

NASA Astrophysics Data System (ADS)

Sun, Wangmin; Yang, Xiaoguang; Han, Song; Sun, Xiaoyang

2017-10-01

Power and heating generation sector and transport sector contribute a highest GHG emissions and even air pollutions. This paper seeks to investigate life cycle costs and emissions in both the power sector and transport sector, and evaluate the cost-emission efficient (costs for one unit GHG emissions) of the substitution between new energy vehicles and conventional gasoline based vehicles under two electricity mix scenarios. In power sector, wind power and PV power will be cost comparative in 2030 forecasted with learning curve method. With high subsidies, new energy cars could be comparative now, but it still has high costs to lower GHG emissions. When the government subsidy policy is reversible, the emission reduction cost for new energy vehicle consumer will be 900/ton. According to the sensitive analysis, the paper suggests that the government implement policies that allocate the cost to the whole life cycle of energy production and consumption related to transport sector energy transition and policies that are in favor of new energy vehicle consumers but not the new energy car producers.

No Timing Variations Observed in Third Transit of Snow-line Exoplanet Kepler-421b

NASA Astrophysics Data System (ADS)

Dalba, Paul A.; Muirhead, Philip S.

2016-07-01

We observed Kepler-421 during the anticipated third transit of the snow-line exoplanet Kepler-421b in order to constrain the existence and extent of transit timing variations (TTVs). Previously, the Kepler spacecraft only observed two transits of Kepler-421b, leaving the planet’s transit ephemeris unconstrained. Our visible light, time-series observations from the 4.3 m Discovery Channel Telescope were designed to capture pre-transit baseline and the partial transit of Kepler-421b, barring significant TTVs. We use the light curves to assess the probabilities of various transit models using both the posterior odds ratio and the Bayesian Information Criterion, and find that a transit model with no TTVs is favored to 3.6σ confidence. These observations suggest that Kepler-421b is either alone in its system or is only experiencing minor dynamic interactions with an unseen companion. With the Kepler-421b ephemeris constrained, we calculate future transit times and discuss the opportunity to characterize the atmosphere of this cold, long-period exoplanet via transmission spectroscopy. Our investigation emphasizes the difficulties associated with observing long-period exoplanet transits and the consequences that arise from failing to refine transit ephemerides.

Observations of the evening transition processes on opposing slopes of a north-south oriented mountain

NASA Astrophysics Data System (ADS)

Pardyjak, E.

2014-12-01

The MATERHORN (Mountain Terrain Atmospheric Modeling and Observation) Program is a multiuniversity, multidisciplinary research initiative designed to improve numerical weather prediction in complex terrain and to better understand the physics of complex terrain flow phenomena across a wide range of scales. As part of MATERHORN, field campaigns were conducted at Dugway, UT, USA in Autumn 2012 and Spring 2013. A subset of the campaigns included dense observations along the East Slope of Granite Peak (40.096° N, -113.253° W), as well as additional observations on the opposing west facing slope. East Slope observations included five multi-sonic anemometer eddy covariance towers (two with full energy budget stations), eleven small energy budget stations, fifteen automated weather stations, a distributed temperature sensing (DTS) system, hot-film anemometry, infrared camera surface temperature observations and up to three Doppler lidars. West Slope operations were less intense with three main towers, two of which included sonic anemometry and one, which included full surface energy balance observations. For this presentation, our analysis will focus on characterizing and contrasting the response of mean wind circulations and thermodynamics variables, as well as turbulence quantities during the evening transitions on both the East Slope and West Slope when solar irradiation differences of the slope surfaces is extremely large.

Direct Observation of Virtual Electrode Formation Through a Novel Electrolyte-to-Electrode Transition

NASA Astrophysics Data System (ADS)

Siegel, David; El Gabaly, Farid; Bartelt, Norman; McCarty, Kevin

2014-03-01

Novel electrochemical solutions to problems in energy storage and transportation can drive renewable energy to become an economically viable alternative to fossil fuels. In many electrochemical systems, the behavior of a device can be fundamentally limited by the surface area of a triple phase boundary, the boundary region where a gas-phase species, electrode, and electrolyte coincide. When the electrode is an ionic insulator the triple phase boundary is typically a one-dimensional boundary with nanometer-scale thickness: ions cannot transport through the electrode, while electrons cannot be transported through the electrolyte. Here we present direct experimental measurements of a novel electrolyte-to-electrode transition with photoemission electron microscopy, and observe that the surface of an ionically conductive, electronically insulative solid oxide electrolyte undergoes a transition into a mixed electron-ion conductor in the vicinity of a metal electrode. Our direct experimental measurements allow us to characterize this system and address the mechanisms of ionic reactions and transport through comparisons with theoretical modeling to provide us with a physical picture of the processes involved. Our results provide insight into one of the mechanisms of ion transport in an electrochemical cell that may be generalizable to other systems.

NO TIMING VARIATIONS OBSERVED IN THIRD TRANSIT OF SNOW-LINE EXOPLANET KEPLER-421b

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dalba, Paul A.; Muirhead, Philip S., E-mail: pdalba@bu.edu

2016-07-20

We observed Kepler-421 during the anticipated third transit of the snow-line exoplanet Kepler-421b in order to constrain the existence and extent of transit timing variations (TTVs). Previously, the Kepler spacecraft only observed two transits of Kepler-421b, leaving the planet’s transit ephemeris unconstrained. Our visible light, time-series observations from the 4.3 m Discovery Channel Telescope were designed to capture pre-transit baseline and the partial transit of Kepler-421b, barring significant TTVs. We use the light curves to assess the probabilities of various transit models using both the posterior odds ratio and the Bayesian Information Criterion, and find that a transit model withmore » no TTVs is favored to 3.6 σ confidence. These observations suggest that Kepler-421b is either alone in its system or is only experiencing minor dynamic interactions with an unseen companion. With the Kepler-421b ephemeris constrained, we calculate future transit times and discuss the opportunity to characterize the atmosphere of this cold, long-period exoplanet via transmission spectroscopy. Our investigation emphasizes the difficulties associated with observing long-period exoplanet transits and the consequences that arise from failing to refine transit ephemerides.« less

Scatterometer Observes Extratropical Transition of Pacific Typhoons

NASA Technical Reports Server (NTRS)

Liu, W. Timothy; Tang, Wenqing; Dunbar, R. Scott

1997-01-01

From September 15 to 25, 1996, NASA's scatterometer (NSCAT) monitored the evolution of twin typhoons, Violet and Tom, as they moved north from the western tropical Pacific, acquiring features of mid-latitude storms. The typhoons developed frontal structures, increased asymmetry, and dry air was introduced into their cores. Violet hit Japan, causing death and destruction (Figure 1), and Tom merged with a mid-latitude trough and evolved into a large extratropical storm with gale-force winds (Figure 2). We understand relatively little about the extratropical transition of tropical cyclones because of the complex thermodynamics involved [e.g., Sinclair, 1993], but we do know that the mid-latitude storms resulting from tropical cyclones usually generate strong winds and heavy precipitation. Since the transition usually occurs over the ocean, few measurements have been made. The transition is a fascinating science problem, but it also has important economic consequences. The transition occurs over the busiest trans-ocean shipping lanes, and when the resulting storms hit land, they usually devastate populated areas. NSCAT was successfully launched into a near-polar, sun-synchronous orbit on the Japanese Advanced Earth Observing Satellite (ADEOS) in August 1996 from Tanegashima Space Center in Japan. NSCAT's six antennas send microwave pulses at a frequency of 14 GHz to the Earth's surface and measure the backscatter. The antennas scan two 600-km bands of the ocean, which are separated by a 330-km data gap. From NSCAT observations, surface wind vectors can be derived at 25-km spatial resolution, covering 77% of the ice-free ocean in one day and 97% of the ocean in two days, under both clear and cloudy conditions.

HEAO 1 high-energy X-ray observations of Centaurus X-3

NASA Technical Reports Server (NTRS)

Howe, S. K.; Primini, F. A.; Bautz, M. W.; Lang, F. L.; Levine, A. M.; Lewin, W. H. G.

1983-01-01

Pulsations of 4.8 sec were detected up to energies above 38 keV by the present High Energy X-ray and Low Energy Gamma-Ray HEAO 1 satellite experiment observations of Cen X-3, and an analysis of the X-ray spectrum as a function of pulse phase indicates that the spectrum hardens during an interval of about 1.2 sec which lags the pulse peak by about 0.6 sec. The results of correlated observations of pulse period and X-ray intensity include (1) the detection of a high intensity state during which the pulse period is on the average increasing, (2) the measurement of comparable high intensities during episodes of both period increase and decrease, (3) the detection of X-ray pulsations at a much reduced level during a period of low intensity, and (4) the detection of a transition between spin-down, and spin-up episodes that coincides with a rapid decrease in X-ray intensity.

Energy and population: transitional issues and eventual limits.

PubMed

Werbos, P J

1990-08-01

The implication of population size for US energy requirements is explored in this essay. The basic argument is that the present supply of fuels and energy technologies is not sustainable in the long run, that a wide range of choices is possible when a complete transition is made to sustainable technologies, and that the growth of population and the composition of this growth during the next 30 years are the most serious problems impacting on the achievement of sustainable technology. The importance and future of fuel oil is discussed as well as the transition to sustainable energy supplies: conservation, renewables, nuclear and coal. Dependency on oil can only be changed through time and the infusion of money, but even with these givens, the transition is also dependent on the political and budgetary climate. The race is between crisis and cure. It is argued that the soft energy systems (biomass, solar water heater, wind, hydro, and geothermal energy) along with conservation will increase easily and naturally, but the total potential from these sources amounts to only 10% of the present US energy supply. Conservation offers greater hope because 80% of end-use fossil fuel is used in transportation and industry. Further growth of the population in the US would create a demand to desalinate water, which would increase the demand for energy. A totally soft energy economy is probably not feasible without a drastic reduction in US population. The expected direction is in the increased use of coal, and then nuclear energy. Unfortunately, coal contributes to greenhouse warming, and the supply is limited to 60-100 years. Nuclear proliferation and terrorism is connected to the widespread use of nuclear energy. Some breakthrough technology with cold fusion may offer a safer alternative. High technology renewables such as solar cells can be competitive with nuclear energy, if prices can be kept down. on earth or in space, are being investigated. Exploring a variety of advanced

Investigating Extra-solar Planetary System Qatar-1 through Transit Observations

NASA Astrophysics Data System (ADS)

Thakur, Parijat; Mannaday, Vineet Kumar; Jiang, Ing-Guey; Sahu, Devendra Kumar; Chand, Swadesh

2018-04-01

We report the results of the transit timing variation (TTV) analysis of the extra-solar planet Qatar-1b using thirty eight light curves. Our analysis combines thirty five previously available transit light curves with three new transits observed by us between June 2016 and September 2016 using the 2-m Himalayan Chandra Telescope (HCT) at the Indian Astronomical Observatory (Hanle, India). From these transit data, the physical and orbital parameters of the Qatar-1 system are determined. In addition to this, the ephemeris for the orbital period and mid-transit time are refined to investigate the possible TTV. We find that the null-TTV model provides the better fit to the (O-C) data. This indicates that there is no evidence for TTVs to confirm the presence of additional planets in the Qatar-1 system. The use of the 3.6-m Devasthal Optical Telescope (DOT) operated by the Aryabhatta Research Institute of Observational Sciences (ARIES, Nainital, India) could improve the photometric precision to examine the signature of TTVs in this system with a greater accuracy than in the present work.

Cool Transition Region Loops Observed by the Interface Region Imaging Spectrograph

NASA Astrophysics Data System (ADS)

Huang, Zhenghua; Xia, Lidong; Li, Bo; Madjarska, Maria S.

2015-09-01

We report on the first Interface Region Imaging Spectrograph (IRIS) study of cool transition region loops, a class of loops that has received little attention in the literature. A cluster of such loops was observed on the solar disk in active region NOAA11934, in the Si iv 1402.8 Å spectral raster and 1400 Å slit-jaw images. We divide the loops into three groups and study their dynamics. The first group comprises relatively stable loops, with 382-626 km cross-sections. Observed Doppler velocities are suggestive of siphon flows, gradually changing from -10 km s-1 at one end to 20 km s-1 at the other end of the loops. Nonthermal velocities of 15 ˜ 25 km s-1 were determined. Magnetic cancellation with a rate of 1015 Mx s-1 is found at the blueshifted footpoints. These physical properties suggest that these loops are impulsively heated by magnetic reconnection, and the siphon flows play an important role in the energy redistribution. The second group corresponds to two footpoints rooted in mixed-magnetic-polarity regions, where magnetic cancellation with a rate of 1015 Mx s-1 and explosive-event line profiles with enhanced wings of up to 200 km s-1 were observed. In the third group, interaction between two cool loop systems is observed. Evidence for magnetic reconnection between the two loop systems is reflected in the explosive-event line profiles and magnetic cancellation with a rate of 3× {10}15 Mx s-1 observed in the corresponding area. The IRIS has provided opportunity for in-depth investigations of cool transition region loops. Further numerical experiments are crucial for understanding their physics and their roles in the coronal heating processes.

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

NASA Astrophysics Data System (ADS)

Tian Yi, Zhang; Neng Wu, Zheng

2009-08-01

Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

The Role of Grain Boundary Energy on Grain Boundary Complexion Transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bojarski, Stephanie A.; Rohrer, Gregory S.

Grain boundary complexions are distinct equilibrium structures and compositions of a grain boundary and complexion transformations are transition from a metastable to an equilibrium complexion at a specific thermodynamic and geometric conditions. Previous work indicates that, in the case of doped alumina, a complexion transition that increased the mobility of transformed boundaries and resulted in abnormal grain growth also caused a decrease in the mean relative grain boundary energy as well as an increase in the anisotropy of the grain boundary character distribution (GBCD). The current work will investigate the hypothesis that the rates of complexion transitions that result inmore » abnormal grain growth (AGG) depend on grain boundary character and energy. Furthermore, the current work expands upon this understanding and tests the hypothesis that it is possible to control when and where a complexion transition occurs by controlling the local grain boundary energy distribution.« less

Energy balance in the solar transition region. I - Hydrostatic thermal models with ambipolar diffusion

NASA Technical Reports Server (NTRS)

Fontenla, J. M.; Avrett, E. H.; Loeser, R.

1990-01-01

The energy balance in the lower transition region is analyzed by constructing theoretical models which satisfy the energy balance constraint. The energy balance is achieved by balancing the radiative losses and the energy flowing downward from the corona. This energy flow is mainly in two forms: conductive heat flow and hydrogen ionization energy flow due to ambipolar diffusion. Hydrostatic equilibrium is assumed, and, in a first calculation, local mechanical heating and Joule heating are ignored. In a second model, some mechanical heating compatible with chromospheric energy-balance calculations is introduced. The models are computed for a partial non-LTE approach in which radiation departs strongly from LTE but particles depart from Maxwellian distributions only to first order. The results, which apply to cases where the magnetic field is either absent, or uniform and vertical, are compared with the observed Lyman lines and continuum from the average quiet sun. The approximate agreement suggests that this type of model can roughly explain the observed intensities in a physically meaningful way, assuming only a few free parameters specified as chromospheric boundary conditions.

Near-inertial kinetic energy budget of the mixed layer and shear evolution in the transition layer in the Arabian Sea during the monsoons

NASA Astrophysics Data System (ADS)

Majumder, Sudip; Tandon, Amit; Rudnick, Daniel L.; Thomas Farrar, J.

2015-09-01

We present the horizontal kinetic energy (KE) balance of near-inertial currents in the mixed layer and explain shear evolution in the transition layer using observations from a mooring at 15.26° N in the Arabian Sea during the southwest monsoon. The highly sheared and stratified transition layer at the mixed-layer base varies between 5 m and 35 m and correlates negatively with the wind stress. Results from the mixed layer near-inertial KE (NIKE) balance suggest that wind energy at times can energize the transition layer and at other times is fully utilized within the mixed layer. A simple two layer model is utilized to study the shear evolution in the transition layer and shown to match well with observations. The shear production in this model arises from alignment of wind stress and shear. Although the winds are unidirectional during the monsoon, the shear in the transition layer is predominantly near-inertial. The near-inertial shear bursts in the observations show the same phasing and magnitude at near-inertial frequencies as the wind-shear alignment term.

Ground-based Observational Characterization of Transiting Hot-Jupiter Atmosphere

NASA Astrophysics Data System (ADS)

Chen, G.

2016-09-01

-rich model is unable to explain all the data, a carbon-rich model provides a reasonable fit but violates the energy balance. The GROND emission measurements of WASP-46 b also suggest an isothermal temperature profile for its dayside atmosphere. Our K-band measurement for WASP-43 b confirms previous detections obtained in the 2.09 μm narrow band and K_S band. All three hot Jupiters seem to have very poor day to nightside heat redistribution. Furthermore, we present the analysis of optical eclipse measurements for WASP-46 b and WASP-43 b, which are either false positives or indication of reflective clouds at high altitude. Additionally, thanks to the simultaneous multi-band observing capability of GROND, a broad-band transmission spectrum is derived for WASP-43 b. Limited by current spectral resolution and precision, the atmospheric compositions can not be distinguished, indicating the necessity of the spectroscopic observations. In Chapter 6 and 7, the spectroscopic observations on the transits of HAT-P-1 b and HAT-P-32 b are summarized, respectively. Stellar light that has been transmitted through planetary terminator atmosphere carries information of atmospheric compositions. We report the first detection of the K resonance doublet absorption in HAT-P-1 b. This is the first time to resolve the K doublets in any planet. The K absorption profile consists of only narrow cores while lacks pressure-broadened wings, indicating clouds or hazes. Our optical transmission spectrum, covering the wavelength ranges of 310-520 nm and 610-1000 nm, rules out the presence of TiO and VO and the presence of pure Rayleigh-scattering hazes. Together with the 1.1-1.7 μm transmission spectrum derived by HST/WFC3, we also rule out the possibility of optically thick clouds. The current combined dataset is well explained by a nearly solar-abundance atmosphere of Na, K, H_2O, and CH_4. For HAT-P-32 b, the measured optical transmission spectrum shows signatures of TiO/VO absorption to some degree

APOSTLE: 11 TRANSIT OBSERVATIONS OF TrES-3b

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kundurthy, P.; Becker, A. C.; Agol, E.

2013-02-10

The Apache Point Survey of Transit Lightcurves of Exoplanets (APOSTLE) observed 11 transits of TrES-3b over two years in order to constrain system parameters and look for transit timing and depth variations. We describe an updated analysis protocol for APOSTLE data, including the reduction pipeline, transit model, and Markov Chain Monte Carlo analyzer. Our estimates of the system parameters for TrES-3b are consistent with previous estimates to within the 2{sigma} confidence level. We improved the errors (by 10%-30%) on system parameters such as the orbital inclination (i {sub orb}), impact parameter (b), and stellar density ({rho}{sub *}) compared to previousmore » measurements. The near-grazing nature of the system, and incomplete sampling of some transits, limited our ability to place reliable uncertainties on individual transit depths and hence we do not report strong evidence for variability. Our analysis of the transit timing data shows no evidence for transit timing variations and our timing measurements are able to rule out super-Earth and gas giant companions in low-order mean motion resonance with TrES-3b.« less

The 2016 Transit of Mercury Observed from Major Solar Telescopes and Satellites

NASA Astrophysics Data System (ADS)

Pasachoff, Jay M.; Schneider, Glenn; Gary, Dale; Chen, Bin; Sterling, Alphonse C.; Reardon, Kevin P.; Dantowitz, Ronald; Kopp, Greg A.

2016-10-01

We report observations from the ground and space of the 9 May 2016 transit of Mercury. We build on our explanation of the black-drop effect in transits of Venus based on spacecraft observations of the 1999 transit of Mercury (Schneider, Pasachoff, and Golub, Icarus 168, 249, 2004). In 2016, we used the 1.6-m New Solar Telescope at the Big Bear Solar Observatory with active optics to observe Mercury's transit at high spatial resolution. We again saw a small black-drop effect as 3rd contact neared, confirming the data that led to our earlier explanation as a confluence of the point-spread function and the extreme solar limb darkening (Pasachoff, Schneider, and Golub, in IAU Colloq. 196, 2004). We again used IBIS on the Dunn Solar Telescope of the Sacramento Peak Observatory, as A. Potter continued his observations, previously made at the 2006 transit of Mercury, at both telescopes of the sodium exosphere of Mercury (Potter, Killen, Reardon, and Bida, Icarus 226, 172, 2013). We imaged the transit with IBIS as well as with two RED Epic IMAX-quality cameras alongside it, one with a narrow passband. We show animations of our high-resolution ground-based observations along with observations from XRT on JAXA's Hinode and from NASA's Solar Dynamics Observatory. Further, we report on the limit of the transit change in the Total Solar Irradiance, continuing our interest from the transit of Venus TSI (Schneider, Pasachoff, and Willson, ApJ 641, 565, 2006; Pasachoff, Schneider, and Willson, AAS 2005), using NASA's SORCE/TIM and the Air Force's TCTE/TIM. See http://transitofvenus.info and http://nicmosis.as.arizona.edu.Acknowledgments: We were glad for the collaboration at Big Bear of Claude Plymate and his colleagues of the staff of the Big Bear Solar Observatory. We also appreciate the collaboration on the transit studies of Robert Lucas (Sydney, Australia) and Evan Zucker (San Diego, California). JMP appreciates the sabbatical hospitality of the Division of Geosciences and

Aspects of energy transitions: History and determinants

NASA Astrophysics Data System (ADS)

O'Connor, Peter A.

Energy intensity in the U.S. from 1780 to 2010 shows a declining trend when traditional energy is included, in contrast to the "inverted U-curve" seen when only commercial energy is considered. The analysis quantifies use of human and animal muscle power, wind and water power, biomass, harvested ice, fossil fuels, and nuclear power. Historical prices are provided for many energy resources. The analysis reaffirms the importance of innovation in conversion technologies in energy transitions. An increase in energy intensity in the early 20th century is explained by diminishing returns to pre-electric manufacturing systems, which produced a transformation in manufacturing. In comparison to similar studies for other countries, the U.S. has generally higher energy intensity. A population-weighted series of heating degree days and cooling degree days partially explains differences in energy intensity. Series are developed for 231 countries and territories with multiple reference temperatures, with a "wet-bulb" series accounting for the effects of humidity. Other variables considered include energy prices, income per capita, and governance indices. A panel regression of thirty-two countries from 1995 to 2010 establishes GDP per capita and share of primary energy as determinants of energy intensity, but fails to establish statistical significance of the climate variables. A group mean regression finds average heating and cooling degree days to be significant predictors of average energy intensity over the study period, increasing energy intensity by roughly 1.5 kJ per 2005 international dollar for each annual degree day. Group mean regression results explain differences in countries' average energy intensity, but not changes within a country over time. Energy Return on Investment (EROI) influences the economic competitiveness and environmental impacts of an energy resource and is one driver of energy transitions. The EROI of U.S. petroleum production has declined since 1972

Steady flows in the chromosphere and transition-zone above active regions as observed by OSO-8

NASA Technical Reports Server (NTRS)

Lites, B. W.

1980-01-01

Two years of data from the University of Colorado ultraviolet spectrometer aboard OSO-8 were searched for steady line-of-sight flows in the chromosphere and transition-zone above active regions. The most conspicuous pattern that emerges from this data set is that many sunspots show persistent blueshifts of transition-zone lines indicating velocities of about 20 km/s with respect to the surrounding plage areas. The data show much smaller shifts in ultraviolet emission lines arising from the chromosphere: the shifts are frequently to the blue, but sometimes redshifts do occur. Plage areas often show a redshift of the transition-zone lines relative to the surrounding quiet areas, and a strong gradient of the vertical component of the velocity is evident in many plages. One area of persistent blueshift was observed in the transition-zone above an active region filament. The energy requirement of these steady flows over sunspots is discussed.

On the use of the energy probability distribution zeros in the study of phase transitions

NASA Astrophysics Data System (ADS)

Mól, L. A. S.; Rodrigues, R. G. M.; Stancioli, R. A.; Rocha, J. C. S.; Costa, B. V.

2018-04-01

This contribution is devoted to cover some technical aspects related to the use of the recently proposed energy probability distribution zeros in the study of phase transitions. This method is based on the partial knowledge of the partition function zeros and has been shown to be extremely efficient to precisely locate phase transition temperatures. It is based on an iterative method in such a way that the transition temperature can be approached at will. The iterative method will be detailed and some convergence issues that has been observed in its application to the 2D Ising model and to an artificial spin ice model will be shown, together with ways to circumvent them.

Imaging Protoplanets: Observing Transition Disks with Non-Redundant Masking

NASA Astrophysics Data System (ADS)

Sallum, Stephanie

2017-01-01

Transition disks - protoplanetary disks with inner, solar system sized clearings - may be shaped by young planets. Directly imaging protoplanets in these objects requires high contrast and resolution, making them promising targets for future extremely large telescopes. The interferometric technique of non-redundant masking (NRM) is well suited for these observations, enabling companion detection for contrasts of 1:100 - 1:1000 at or within the diffraction limit. My dissertation focuses on searching for and characterizing companions in transition disk clearings using NRM. I will briefly describe the technique and present spatially resolved observations of the T Cha and LkCa 15 transition disks. Both of these objects hosted posited substellar companions. However multi-epoch T Cha datasets cannot be explained by planets orbiting in the disk plane. Conversely, LkCa 15 data taken with the Large Binocular Telescope (LBT) in single-aperture mode reveal the presence of multiple forming planets. The dual aperture LBT will provide triple the angular resolution of these observations, dramatically increasing the phase space for exoplanet detection. I will also present new results from the dual-aperture LBT, with similar resolution to that expected for next generation facilities like GMT.

Free energy landscape theory of glass transition

NASA Astrophysics Data System (ADS)

Odagaki, Takashi

2010-03-01

I first present a free energy landscape (FEL) description of statistical mechanics, which is an exact reformulation of statistical mechanics and can be applied to non-equilibrium systems. Then, I discuss thermodynamic and dynamic properties of the vitrification process on the basis of the FEL formalism. I show that thermodynamic and dynamic anomalies at the glass transition, including the cooling rate dependence, can be understood in a unified manner which has not been achieved by any other theories of the glass transition. Namely, I show that the vitrification is a transition from annealed to quenched averages in the FEL and that the fast beta, the JG and the slow alpha relaxations are attributed to stochastic dynamics within a basin of FEL, jumping motion among locally connected basins and diffusive dynamics over barriers of the FEL.

Constraints on active region coronal heating properties from observations and modeling of chromospheric, transition region, and coronal emission

NASA Astrophysics Data System (ADS)

Testa, P.; Polito, V.; De Pontieu, B.; Carlsson, M.; Reale, F.; Allred, J. C.; Hansteen, V. H.

2017-12-01

We investigate coronal heating properties in active region cores in non-flaring conditions, using high spatial, spectral, and temporal resolution chromospheric/transition region/coronal observations coupled with detailed modeling. We will focus, in particular, on observations with the Interface Region Imaging Spectrograph (IRIS), joint with observations with Hinode (XRT and EIS) and SDO/AIA. We will discuss how these observations and models (1D HD and 3D MHD, with the RADYN and Bifrost codes) provide useful diagnostics of the coronal heating processes and mechanisms of energy transport.

Treatment of Electronic Energy Level Transition and Ionization Following the Particle-Based Chemistry Model

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Lewis, Mark

2010-01-01

A new method of treating electronic energy level transitions as well as linking ionization to electronic energy levels is proposed following the particle-based chemistry model of Bird. Although the use of electronic energy levels and ionization reactions in DSMC are not new ideas, the current method of selecting what level to transition to, how to reproduce transition rates, and the linking of the electronic energy levels to ionization are, to the author s knowledge, novel concepts. The resulting equilibrium temperatures are shown to remain constant, and the electronic energy level distributions are shown to reproduce the Boltzmann distribution. The electronic energy level transition rates and ionization rates due to electron impacts are shown to reproduce theoretical and measured rates. The rates due to heavy particle impacts, while not as favorable as the electron impact rates, compare favorably to values from the literature. Thus, these new extensions to the particle-based chemistry model of Bird provide an accurate method for predicting electronic energy level transition and ionization rates in gases.

Scatterometer Observes Extratropical Transition of Pacific Typhoons

NASA Technical Reports Server (NTRS)

Liu, W. Timothy; Tang, Wen-Qing; Dunbar, R. Scott

1997-01-01

From September 15 to 25, 1996, NASA's scatterometer (NSCAT) monitored the evolution of twin typhoons-Violet and Tom-as they moved north from the western tropical Pacific, acquiring features of mid-latitude storms. The typhoons developed frontal structures, increased asymmetry, and dry air was introduced into their cores. Violet hit Japan, causing death and destruction, and Tom merged with a mid-latitude trough and evolved into a large extratropical storm with gale-force winds. We understand relatively little about the extratropical transition of tropical cyclones because of the complex thermodynamics involved, but we do know that the mid-latitude storms resulting from tropical cyclones usually generate strong winds and heavy precipitation. Since the transition usually occurs over the ocean, few measurements have been made. The transition is a fascinating science problem, but it also has important economic consequences. The transition occurs over the busiest trans-ocean shipping lanes, and when the resulting storms hit land, they usually devastate populated areas. NSCAT was successfully launched into a near-polar, sunsynchronous orbit on the Japanese Advanced Earth Observing Satellite (ADEOS) in August 1996 from Tanegashima Space Center in Japan. NSCAT's six antennas send microwave pulses at a frequency of 14 GHz to the Earth's surface and measure the backscatter.

Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes.

PubMed

Liu, Kexi; Lei, Yinkai; Wang, Guofeng

2013-11-28

Oxygen adsorption energy is directly relevant to the catalytic activity of electrocatalysts for oxygen reduction reaction (ORR). In this study, we established the correlation between the O2 adsorption energy and the electronic structure of transition metal macrocyclic complexes which exhibit activity for ORR. To this end, we have predicted the molecular and electronic structures of a series of transition metal macrocyclic complexes with planar N4 chelation, as well as the molecular and electronic structures for the O2 adsorption on these macrocyclic molecules, using the density functional theory calculation method. We found that the calculated adsorption energy of O2 on the transition metal macrocyclic complexes was linearly related to the average position (relative to the lowest unoccupied molecular orbital of the macrocyclic complexes) of the non-bonding d orbitals (d(z(2)), d(xy), d(xz), and d(yz)) which belong to the central transition metal atom. Importantly, our results suggest that varying the energy level of the non-bonding d orbitals through changing the central transition metal atom and/or peripheral ligand groups could be an effective way to tuning their O2 adsorption energy for enhancing the ORR activity of transition metal macrocyclic complex catalysts.

Transit investments for greenhouse gas and energy reduction program : second assessment report.

DOT National Transportation Integrated Search

2014-08-01

This report is the second assessment of the U.S. Department of Transportation, Federal Transit Administrations Transit Investments for : Greenhouse Gas and Energy Reduction (TIGGER) Program. The TIGGER Program provides capital funds to transit age...

IBS and possible luminosity improvement for RHIC operation below transition energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedotov,A.V.

There is a strong interest in low-energy RHIC collisions in the energy range below present RHIC transition energy. These collisions win help to answer one of the key questions in the field of QCD about the existence and location of a critical point on the QCD phase diagram. For such low-energy RHIC operation, particle losses from the RF bucket are of particular concern since the longitudinal beam size is comparable to the existing RF bucket at low energies. In this paper, we explore an Intrabeam Scattering (IBS) feature below transition energy that drives the transverse and longitudinal beam temperatures towardsmore » equilibrium to see whether we can minimize longitudinal diffusion due to IBS and predict some luminosity improvement for the low-energy RHIC project.« less

Health and Climate Impacts of Rural Residential Energy Transition in China

NASA Astrophysics Data System (ADS)

Tao, Shu; Ru, Muye; Du, Wei; Zhu, Xi; Zhong, Qirui

2017-04-01

Over the last two to three decades, energy mix in rural China transit dramatically owing to rapid socioeconomic development. It is expected that such transition can result in changes in emissions of climate forcing components and air pollutants, consequently environmental and climate impacts. Such impacts were quantified by a nationwide survey on rural residential energy consumption, compilation of a series of emission inventories, modeling of atmospheric transport of pollutants, assessment on health risk induced by exposure to ambient air pollutants, and evaluation on rural residential emission originated climate forcing components. Co-benefit of the transition on both health and climate is demonstrated.

BOOK REVIEW Dark Energy: Theory and Observations Dark Energy: Theory and Observations

NASA Astrophysics Data System (ADS)

Faraoni, Valerio

2011-02-01

The 1998 discovery of what seems an acceleration of the cosmic expansion was made using type Ia supernovae and was later confirmed by other cosmological observations. It has made a huge impact on cosmology, prompting theoreticians to explain the observations and introducing the concept of dark energy into modern physics. A vast literature on dark energy and its alternatives has appeared since then, and this is the first comprehensive book devoted to the subject. This book is addressed to an advanced audience comprising graduate students and researchers in cosmology. Although it contains forty four fully solved problems and the first three chapters are rather introductory, they do not constitute a self-consistent course in cosmology and this book assumes graduate level knowledge of cosmology and general relativity. The fourth chapter focuses on observations, while the rest of this book addresses various classes of models proposed, including the cosmological constant, quintessence, k-essence, phantom energy, coupled dark energy, etc. The title of this book should not induce the reader into believing that only dark energy models are addressed—the authors devote two chapters to discussing conceptually very different approaches alternative to dark energy, including ƒ(R) and Gauss-Bonnet gravity, braneworld and void models, and the backreaction of inhomogeneities on the cosmic dynamics. Two chapters contain a general discussion of non-linear cosmological perturbations and statistical methods widely applicable in cosmology. The final chapter outlines future perspectives and the most likely lines of observational research on dark energy in the future. Overall, this book is carefully drafted, well presented, and does a good job of organizing the information available in the vast literature. The reader is pointed to the essential references and guided in a balanced way through the various proposals aimied at explaining the cosmological observations. Not all classes of

Enhanced conformational sampling technique provides an energy landscape view of large-scale protein conformational transitions.

PubMed

Shao, Qiang

2016-10-26

Large-scale conformational changes in proteins are important for their functions. Tracking the conformational change in real time at the level of a single protein molecule, however, remains a great challenge. In this article, we present a novel in silico approach with the combination of normal mode analysis and integrated-tempering-sampling molecular simulation (NMA-ITS) to give quantitative data for exploring the conformational transition pathway in multi-dimensional energy landscapes starting only from the knowledge of the two endpoint structures of the protein. The open-to-closed transitions of three proteins, including nCaM, AdK, and HIV-1 PR, were investigated using NMA-ITS simulations. The three proteins have varied structural flexibilities and domain communications in their respective conformational changes. The transition state structure in the conformational change of nCaM and the associated free-energy barrier are in agreement with those measured in a standard explicit-solvent REMD simulation. The experimentally measured transition intermediate structures of the intrinsically flexible AdK are captured by the conformational transition pathway measured here. The dominant transition pathways between the closed and fully open states of HIV-1 PR are very similar to those observed in recent REMD simulations. Finally, the evaluated relaxation times of the conformational transitions of three proteins are roughly at the same level as reported experimental data. Therefore, the NMA-ITS method is applicable for a variety of cases, providing both qualitative and quantitative insights into the conformational changes associated with the real functions of proteins.

Flare Energy Release: Internal Conflict, Contradiction with High Resolution Observations, Possible Solutions

NASA Astrophysics Data System (ADS)

Pustilnik, L.

2017-06-01

All accepted paradigm of solar and stellar flares energy release based on 2 whales: 1. Source of energy is free energy of non-potential force free magnetic field in atmosphere above active region; 2. Process of ultrafast dissipation of magnetic fields is Reconnection in Thin Turbulent Current Sheet (RTTCS). Progress in observational techniques in last years provided ultra-high spatial resolution and in physics of turbulent plasma showed that real situation is much more complicated and standard approach is in contradiction both with observations and with problem of RTTCS stability. We present critical analysis of classic models of pre-flare energy accumulation and its dissipation during flare energy release from pioneer works Giovanelli (1939, 1947) up to topological reconnection. We show that all accepted description of global force-free fields as source of future flare cannot be agreed with discovered in last years fine and ultra-fine current-magnetic structure included numerouse arcs-threads with diameters up to 100 km with constant sequence from photosphere to corona. This magnetic skeleton of thin current magnetic threads with strong interaction between them is main source of reserved magnetic energy insolar atmosphere. Its dynamics will be controlled by percolation of magnetic stresses through network of current-magnetic threads with transition to flare state caused by critical value of global current. We show that thin turbulent current sheet is absolutely unstable configuration both caused by splitting to numerous linear currents by dissipative modes like to tearing, and as sequence of suppress of plasma turbulence caused by anomalous heating of turbulent plasma. In result of these factors primary RTTCS will be disrupted in numerous turbulent and normal plasma domains like to resistors network. Current propagation through this network will have percolation character with all accompanied properties of percolated systems: self-organization with formation power

A simple model of entropy relaxation for explaining effective activation energy behavior below the glass transition temperature.

PubMed

Bisquert, Juan; Henn, François; Giuntini, Jean-Charles

2005-03-01

Strong changes in relaxation rates observed at the glass transition region are frequently explained in terms of a physical singularity of the molecular motions. We show that the unexpected trends and values for activation energy and preexponential factor of the relaxation time tau, obtained at the glass transition from the analysis of the thermally stimulated current signal, result from the use of the Arrhenius law for treating the experimental data obtained in nonstationary experimental conditions. We then demonstrate that a simple model of structural relaxation based on a time dependent configurational entropy and Adam-Gibbs relaxation time is sufficient to explain the experimental behavior, without invoking a kinetic singularity at the glass transition region. The pronounced variation of the effective activation energy appears as a dynamic signature of entropy relaxation that governs the change of relaxation time in nonstationary conditions. A connection is demonstrated between the peak of apparent activation energy measured in nonequilibrium dielectric techniques, with the overshoot of the dynamic specific heat that is obtained in calorimetry techniques.

Turbulence Kinetic Energy budget during the afternoon transition - Part 1: Observed surface TKE budget and boundary layer description for 10 intensive observation period days

NASA Astrophysics Data System (ADS)

Nilsson, E.; Lohou, F.; Lothon, M.; Pardyjak, E.; Mahrt, L.; Darbieu, C.

2015-11-01

The decay of turbulence kinetic energy (TKE) and its budget in the afternoon period from mid-day until zero buoyancy flux at the surface is studied in a two-part paper by means of measurements from the Boundary Layer Late Afternoon and Sunset Turbulence (BLLAST) field campaign for 10 Intensive Observation Period days. Here, in Part 1, near-surface measurements from a small tower are used to estimate a TKE budget. The overall boundary layer characteristics and meso-scale situation at the site are also described based upon taller tower measurements, radiosoundings and remote sensing instrumentation. Analysis of the TKE budget during the afternoon transition reveals a variety of different surface layer dynamics in terms of TKE and TKE decay. This is largely attributed to variations in the 8 m wind speed, which is responsible for different amounts of near-surface shear production on different afternoons and variations within some of the afternoon periods. The partitioning of near surface production into local dissipation and transport in neutral and unstably stratified conditions was investigated. Although variations exist both between and within afternoons, as a rule of thumb, our results suggest that about 50 % of the near surface production of TKE is compensated by local dissipation near the surface, leaving about 50 % available for transport. This result indicates that it is important to also consider TKE transport as a factor influencing the near-surface TKE decay rate, which in many earlier studies has mainly been linked with the production terms of TKE by buoyancy and wind shear. We also conclude that the TKE tendency is smaller than the other budget terms, indicating a quasi-stationary evolution of TKE in the afternoon transition. Even though the TKE tendency was observed to be small, a strong correlation to mean buoyancy production of -0.69 was found for the afternoon period. For comparison with previous results, the TKE budget terms are normalized with

Turbulence kinetic energy budget during the afternoon transition - Part 1: Observed surface TKE budget and boundary layer description for 10 intensive observation period days

NASA Astrophysics Data System (ADS)

Nilsson, Erik; Lohou, Fabienne; Lothon, Marie; Pardyjak, Eric; Mahrt, Larry; Darbieu, Clara

2016-07-01

The decay of turbulence kinetic energy (TKE) and its budget in the afternoon period from midday until zero-buoyancy flux at the surface is studied in a two-part paper by means of measurements from the Boundary Layer Late Afternoon and Sunset Turbulence (BLLAST) field campaign for 10 intensive observation period days. Here, in Part 1, near-surface measurements from a small tower are used to estimate a TKE budget. The overall boundary layer characteristics and mesoscale situation at the site are also described based upon taller tower measurements, radiosoundings and remote sensing instrumentation. Analysis of the TKE budget during the afternoon transition reveals a variety of different surface layer dynamics in terms of TKE and TKE decay. This is largely attributed to variations in the 8 m wind speed, which is responsible for different amounts of near-surface shear production on different afternoons and variations within some of the afternoon periods. The partitioning of near-surface production into local dissipation and transport in neutral and unstably stratified conditions was investigated. Although variations exist both between and within afternoons, as a rule of thumb, our results suggest that about 50 % of the near-surface production of TKE is compensated for by local dissipation near the surface, leaving about 50 % available for transport. This result indicates that it is important to also consider TKE transport as a factor influencing the near-surface TKE decay rate, which in many earlier studies has mainly been linked with the production terms of TKE by buoyancy and wind shear. We also conclude that the TKE tendency is smaller than the other budget terms, indicating a quasi-stationary evolution of TKE in the afternoon transition. Even though the TKE tendency was observed to be small, a strong correlation to mean buoyancy production of -0.69 was found for the afternoon period. For comparison with previous results, the TKE budget terms are normalized with

Multi-scale Observations of High-Energy Electron Precipitation in the Nightside Transition Region

NASA Astrophysics Data System (ADS)

Weatherwax, A. T.; Donovan, E.

2012-12-01

In recent years, the riometer has experienced a renaissance as an important tool for tracking the spatio-temporal evolution of high-energy magnetospheric electron (e-) populations. Networks of single beam riometers give a sparsely sampled picture of the global evolution of magnetospheric high energy e- population; existing imaging riometers resolve smaller-scale processes, but because they are isolated from one another, that resolution cannot be applied to the ionospheric signature of mesoscale magnetospheric processes. With funding from an NSF MRI, we are developing an innovative new facility where, for the first time, absorption related to high energy precipitation will be imaged across a large enough region to allow for tracking the effects of mesoscale magnetospheric processes (such as the dispersionless injection, patchy pulsating aurora, and ULF waves) with high enough space and time resolution to address key unresolved geospace questions. We will deploy in central Canada, taking advantage of excellent coverage of our target region by existing and potential future complimentary networks. The figure shows present coverage spanning auroral latitudes in North American by ASIs (including THEMIS-ASI), the mid-latitude SuperDARN HF radars, Meridian Scanning Photometers (MSPs), and magnetometers. The ASI, SuperDARN, and magnetometer networks will provide significantly more extensive coverage than our target region, thus proving information about (lower energy) auroral precipitation, large-scale magnetospheric convection (as impressed on the ionosphere), and ionospheric currents around and within our target region. For the first time, we will simultaneously observe the coupled convection, auroral, and high-energy electron precipitation in this key geospace region. These observations will be important for RBSP, CEDAR, and GEM science.; Figure: Left: Target region for the new imaging riometer array, and FoVs of THEMIS-ASIs and Canadian Multi-Spectral ASIs. Middle: Scan

GROUND-BASED TRANSIT OBSERVATIONS OF THE SUPER-EARTH 55 Cnc e

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Mooij, E. J. W.; López-Morales, M.; Karjalainen, R.

2014-12-20

We report the first ground-based detections of the shallow transit of the super-Earth exoplanet 55 Cnc e using a 2 m class telescope. Using differential spectrophotometry, we observed one transit in 2013 and another in 2014, with average spectral resolutions of ∼700 and ∼250, spanning the Johnson BVR photometric bands. We find a white light planet-to-star radius ratio of 0.0190{sub −0.0027}{sup +0.0023} from the 2013 observations and 0.0200{sub −0.0018}{sup +0.0017} from the 2014 observations. The two data sets combined result in a radius ratio of 0.0198{sub −0.0014}{sup +0.0013}. These values are all in agreement with previous space-based results. Scintillation noise in themore » data prevents us from placing strong constraints on the presence of an extended hydrogen-rich atmosphere. Nevertheless, our detections of 55 Cnc e in transit demonstrate that moderate-sized telescopes on the ground will be capable of routine follow-up observations of super-Earth candidates discovered by the Transiting Exoplanet Survey Satellite around bright stars. We expect it also will be possible to place constraints on the atmospheric characteristics of those planets by devising observational strategies to minimize scintillation noise.« less

Observation of a Pseudogap in the Vicinity of the Metal-Insulator Transition in the Perovskite-type Vanadium Oxides Nd1-xSrxVO3

NASA Astrophysics Data System (ADS)

Yamamoto, Shintaro; Ootsuki, Daiki; Shimonaka, Daiya; Shibata, Daisuke; Kodera, Kenjiro; Okawa, Mario; Saitoh, Tomohiko; Horio, Masafumi; Fujimori, Atsushi; Kumigashira, Hiroshi; Ono, Kanta; Ikenaga, Eiji; Miyasaka, Shigeki; Tajima, Setsuko; Yoshida, Teppei

2018-02-01

We have performed a photoemission study of the Mott-Hubbard system Nd1-xSrxVO3 (x = 0.20 and 0.30) to investigate the electronic structure in the vicinity of the metal-insulator transition. By using bulk sensitive hard X-ray photoemission spectroscopy, we have observed a large coherent spectral weight near the Fermi level compared to those observed with surface-sensitive low photons. In particular, a pseudogap with an energy of ˜0.2 eV has been observed near the Fermi level, which is consistent with a prediction with a dynamical cluster approximation calculation. In order to understand the characteristic features in the Mott-Hubbard-type metal-insulator transition, particularly the pseudogap opening at x = 0.2 and 0.3, a phenomenological model of the self-energy has been proposed.

Hydrogen and Fuel Cell Transit Bus Evaluations : Joint Evaluation Plan for the U.S. Department of Energy and the Federal Transit Administration

DOT National Transportation Integrated Search

2008-05-01

This document describes the hydrogen transit bus evaluations performed by the National Renewable Energy Laboratory (NREL) and funded by the U.S. Department of Energy (DOE) and the U.S. Department of Transportations Federal Transit Administration (...

The electromagnetic Sigma-to-Lambda hyperon transition form factors at low energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Granados, Carlos; Leupold, Stefan; Perotti, Elisabetta

Using dispersion theory the low-energy electromagnetic form factors for the transition of a Sigma to a Lambda hyperon are related to the pion vector form factor. The additionally required input, i.e. the two-pion-Sigma-Lambda amplitudes are determined from relativistic next-to-leading-order (NLO) baryon chiral perturbation theory including the baryons from the octet and optionally from the decuplet. Pion rescattering is again taken into account by dispersion theory. It turns out that the inclusion of decuplet baryons is not an option but a necessity to obtain reasonable results. The electric transition form factor remains very small in the whole low-energy region. The magneticmore » transition form factor depends strongly on one not very well determined low-energy constant of the NLO Lagrangian. Furthermore, one obtains reasonable predictive power if this low-energy constant is determined from a measurement of the magnetic transition radius. Such a measurement can be performed at the future Facility for Antiproton and Ion Research (FAIR).« less

The electromagnetic Sigma-to-Lambda hyperon transition form factors at low energies

DOE PAGES

Granados, Carlos; Leupold, Stefan; Perotti, Elisabetta

2017-06-09

Using dispersion theory the low-energy electromagnetic form factors for the transition of a Sigma to a Lambda hyperon are related to the pion vector form factor. The additionally required input, i.e. the two-pion-Sigma-Lambda amplitudes are determined from relativistic next-to-leading-order (NLO) baryon chiral perturbation theory including the baryons from the octet and optionally from the decuplet. Pion rescattering is again taken into account by dispersion theory. It turns out that the inclusion of decuplet baryons is not an option but a necessity to obtain reasonable results. The electric transition form factor remains very small in the whole low-energy region. The magneticmore » transition form factor depends strongly on one not very well determined low-energy constant of the NLO Lagrangian. Furthermore, one obtains reasonable predictive power if this low-energy constant is determined from a measurement of the magnetic transition radius. Such a measurement can be performed at the future Facility for Antiproton and Ion Research (FAIR).« less

Ideal glass transitions in thin films: An energy landscape perspective

NASA Astrophysics Data System (ADS)

Truskett, Thomas M.; Ganesan, Venkat

2003-07-01

We introduce a mean-field model for the potential energy landscape of a thin fluid film confined between parallel substrates. The model predicts how the number of accessible basins on the energy landscape and, consequently, the film's ideal glass transition temperature depend on bulk pressure, film thickness, and the strength of the fluid-fluid and fluid-substrate interactions. The predictions are in qualitative agreement with the experimental trends for the kinetic glass transition temperature of thin films, suggesting the utility of landscape-based approaches for studying the behavior of confined fluids.

Measurement of energy transitions for the decay radiations of 75Ge and 69Ge in a high purity germanium detector

NASA Astrophysics Data System (ADS)

Aydın, Güral; Usta, Metin; Oktay, Adem

2018-06-01

Photoactivation experiments have a wide range of application areas in nuclear, particle physics, and medical physics such as measuring energy levels and half-lifes of nuclei, experiments for understanding imaging methods in medicine, isotope production for patient treatment, radiation security and transportation, radiation therapy, and astrophysics processes. In this study, some energy transition values of the decay radiations of 75Ge and 69Ge, which are the products of photonuclear reactions (γ, n) with germanium isotopes (75Ge and 69Ge), were measured. The gamma spectrum as a result of atomic transitions were analysed by using a high purity semiconductor germanium detector and the energy transition values which are presented here were compared with the ones which are the best in literature. It was observed that the results presented are in agreement with literature in error range and some results have better precisions.

Activation energy of the low-load NaCl transition from nanoindentation loading curves.

PubMed

Kaupp, Gerd

2014-01-01

Access to activation energies E(a) of phase transitions is opened by unprecedented analyses of temperature dependent nanoindentation loading curves. It is based on kinks in linearized loading curves, with additional support by coincidence of kink and electrical conductivity of silicon loading curves. Physical properties of B1, B2, NaCl and further phases are discussed. The normalized low-load transition energy of NaCl (Wtrans/µN) increases with temperature and slightly decreases with load. Its semi-logarithmic plot versus T obtains activation energy E(a)/µN for calculation of the transition work for all interesting temperatures and pressures. Arrhenius-type activation energy (kJ/mol) is unavailable for indentation phase transitions. The E(a) per load normalization proves insensitive to creep-on-load, which excludes normalization to depth or volume for large temperature ranges. Such phase transition E(a)/µN is unprecedented material's property and will be of practical importance for the compatibility of composite materials under impact and further shearing interactions at elevated temperatures. © 2014 Wiley Periodicals, Inc.

Large impact of reorganization energy on photovoltaic conversion due to interfacial charge-transfer transitions.

PubMed

Fujisawa, Jun-ichi

2015-05-14

Interfacial charge-transfer (ICT) transitions are expected to be a novel charge-separation mechanism for efficient photovoltaic conversion featuring one-step charge separation without energy loss. Photovoltaic conversion due to ICT transitions has been investigated using several TiO2-organic hybrid materials that show organic-to-inorganic ICT transitions in the visible region. In applications of ICT transitions to photovoltaic conversion, there is a significant problem that rapid carrier recombination is caused by organic-inorganic electronic coupling that is necessary for the ICT transitions. In order to solve this problem, in this work, I have theoretically studied light-to-current conversions due to the ICT transitions on the basis of the Marcus theory with density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. An apparent correlation between the reported incident photon-to-current conversion efficiencies (IPCE) and calculated reorganization energies was clearly found, in which the IPCE increases with decreasing the reorganization energy consistent with the Marcus theory in the inverted region. This activation-energy dependence was systematically explained by the equation formulated by the Marcus theory based on a simple excited-state kinetic scheme. This result indicates that the reduction of the reorganization energy can suppress the carrier recombination and enhance the IPCE. The reorganization energy is predominantly governed by the structural change in the chemical-adsorption moiety between the ground and ICT excited states. This work provides crucial knowledge for efficient photovoltaic conversion due to ICT transitions.

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kutzler, F.W.; Painter, G.S.

1991-03-15

The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

Exchange and relaxation effects in low-energy radiationless transitions

NASA Technical Reports Server (NTRS)

Chen, M. H.; Crasemann, B.; Aoyagi, M.; Mark, H.

1978-01-01

The effect on low-energy atomic inner-shell Coster-Kronig and super Coster-Kronig transitions that is produced by relaxation and by exchange between the continuum electron and bound electrons was examined and illustrated by specific calculations for transitions that deexcite the 3p vacancy state of Zn. Taking exchange and relaxation into account is found to reduce, but not to eliminate, the discrepancies between theoretical rates and measurements.

Correlated natural transition orbital framework for low-scaling excitation energy calculations (CorNFLEx).

PubMed

Baudin, Pablo; Kristensen, Kasper

2017-06-07

We present a new framework for calculating coupled cluster (CC) excitation energies at a reduced computational cost. It relies on correlated natural transition orbitals (NTOs), denoted CIS(D')-NTOs, which are obtained by diagonalizing generalized hole and particle density matrices determined from configuration interaction singles (CIS) information and additional terms that represent correlation effects. A transition-specific reduced orbital space is determined based on the eigenvalues of the CIS(D')-NTOs, and a standard CC excitation energy calculation is then performed in that reduced orbital space. The new method is denoted CorNFLEx (Correlated Natural transition orbital Framework for Low-scaling Excitation energy calculations). We calculate second-order approximate CC singles and doubles (CC2) excitation energies for a test set of organic molecules and demonstrate that CorNFLEx yields excitation energies of CC2 quality at a significantly reduced computational cost, even for relatively small systems and delocalized electronic transitions. In order to illustrate the potential of the method for large molecules, we also apply CorNFLEx to calculate CC2 excitation energies for a series of solvated formamide clusters (up to 4836 basis functions).

A phase transition in energy-filtered RNA secondary structures.

PubMed

Han, Hillary S W; Reidys, Christian M

2012-10-01

In this article we study the effect of energy parameters on minimum free energy (mfe) RNA secondary structures. Employing a simplified combinatorial energy model that is only dependent on the diagram representation and is not sequence-specific, we prove the following dichotomy result. Mfe structures derived via the Turner energy parameters contain only finitely many complex irreducible substructures, and just minor parameter changes produce a class of mfe structures that contain a large number of small irreducibles. We localize the exact point at which the distribution of irreducibles experiences this phase transition from a discrete limit to a central limit distribution and, subsequently, put our result into the context of quantifying the effect of sparsification of the folding of these respective mfe structures. We show that the sparsification of realistic mfe structures leads to a constant time and space reduction, and that the sparsification of the folding of structures with modified parameters leads to a linear time and space reduction. We, furthermore, identify the limit distribution at the phase transition as a Rayleigh distribution.

The energy divide: Integrating energy transitions, regional inequalities and poverty trends in the European Union

PubMed Central

Bouzarovski, Stefan; Tirado Herrero, Sergio

2016-01-01

Energy poverty can be understood as the inability of a household to secure a socially and materially necessitated level of energy services in the home. While the condition is widespread across Europe, its spatial and social distribution is highly uneven. In this paper, the existence of a geographical energy poverty divide in the European Union (EU) provides a starting point for conceptualizing and exploring the relationship between energy transitions – commonly described as wide-ranging processes of socio-technical change – and existing patterns of regional economic inequality. We have undertaken a comprehensive analysis of spatial and temporal trends in the national-scale patterns of energy poverty, as well as gas and electricity prices. The results of our work indicate that the classic economic development distinction between the core and periphery also holds true in the case of energy poverty, as the incidence of this phenomenon is significantly higher in Southern and Eastern European EU Member States. The paper thus aims to provide the building blocks for a novel theoretical integration of questions of path-dependency, uneven development and material deprivation in existing interpretations of energy transitions. PMID:28690374

The energy balance and pressure in the solar transition zone for network and active region features

NASA Technical Reports Server (NTRS)

Nicolas, K. R.; Bartoe, J.-D. F.; Brueckner, G. E.; Vanhoosier, M. E.

1979-01-01

The electron pressure and energy balance in the solar transition zone are determined for about 125 network and active region features on the basis of high spectral and spatial resolution extreme ultraviolet spectra. Si III line intensity ratios obtained from the Naval Research Laboratory high-resolution telescope and spectrograph during a rocket flight are used as diagnostics of electron density and pressure for solar features near 3.5 x 10 to the 4th K. Observed ratios are compared with the calculated dependence of the 1301 A/1312 A and 1301 A/1296 A line intensity ratios on electron density, temperature and pressure. Electron densities ranging from 2 x 10 to the 10th/cu cm to 10 to the 12th/cu cm and active region pressures from 3 x 10 to the 15th to 10 to the 16th/cu cm K are obtained. Energy balance calculations reveal the balance of the divergence of the conductive flux and turbulent energy dissipation by radiative energy losses in a plane-parallel homogeneous transition zone (fill factor of 1), and an energy source requirement for a cylindrical zone geometry (fill factor less than 0.04).

Energy levels, wavelengths, and transition rates of multipole transitions (E1, E2, M1, M2) in Au{sup 67+} and Au{sup 66+} ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hamasha, Safeia, E-mail: safeia@hu.edu.jo

2013-11-15

The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au{sup 67+}) and Al-like Au (Au{sup 66+}) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl{sup ′}, such that n=4,5,6,7. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are consideredmore » by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.« less

Nutrition transition and dietary energy availability in Eastern Europe after the collapse of communism.

PubMed

Ulijaszek, Stanley J; Koziel, Slawomir

2007-12-01

After the economic transition of the late 1980s and early 1990s there was a rapid increase in overweight and obesity in many countries of Eastern Europe. This article describes changing availability of dietary energy from major dietary components since the transition to free-market economic systems among Eastern European nations, using food balance data obtained at national level for the years 1990-92 and 2005 from the FAOSTAT-Nutrition database. Dietary energy available to the East European nations satellite to the former Soviet Union (henceforth, Eastern Europe) was greater than in the nations of the former Soviet Union. Among the latter, the Western nations of the former Soviet Union had greater dietary energy availability than the Eastern and Southern nations of the former Soviet Union. The higher energy availability in Eastern Europe relative to the nations of the former Soviet Union consists mostly of high-protein foods. There has been no significant change in overall dietary energy availability to any category of East European nation between 1990-1992 and 2005, indicating that, at the macro-level, increasing rates of obesity in Eastern European countries cannot be attributed to increased dietary energy availability. The most plausible macro-level explanations for the obesity patterns observed in East European nations are declines in physical activity, increased real income, and increased consumption of goods that contribute to physical activity decline: cars, televisions and computers.

A Framework for Supporting Organizational Transition Processes Towards Sustainable Energy Systems

NASA Astrophysics Data System (ADS)

Buch, Rajesh

Economic development over the last century has driven a tripling of the world's population, a twenty-fold increase in fossil fuel consumption, and a tripling of traditional biomass consumption. The associated broad income and wealth inequities are retaining over 2 billion people in poverty. Adding to this, fossil fuel combustion is impacting the environment across spatial and temporal scales and the cost of energy is outpacing all other variable costs for most industries. With 60% of world energy delivered in 2008 consumed by the commercial and industrial sector, the fragmented and disparate energy-related decision making within organizations are largely responsible for the inefficient and impacting use of energy resources. The global transition towards sustainable development will require the collective efforts of national, regional, and local governments, institutions, the private sector, and a well-informed public. The leadership role in this transition could be provided by private and public sector organizations, by way of sustainability-oriented organizations, cultures, and infrastructure. The diversity in literature exemplifies the developing nature of sustainability science, with most sustainability assessment approaches and frameworks lacking transformational characteristics, tending to focus on analytical methods. In general, some shortfalls in sustainability assessment processes include lack of: · thorough stakeholder participation in systems and stakeholder mapping, · participatory envisioning of future sustainable states, · normative aggregation of results to provide an overall measure of sustainability, and · influence within strategic decision-making processes. Specific to energy sustainability assessments, while some authors aggregate results to provide overall sustainability scores, assessments have focused solely on energy supply scenarios, while including the deficits discussed above. This paper presents a framework for supporting

Critical behavior in the inverse to forward energy transition in two-dimensional magnetohydrodynamic flow.

PubMed

Seshasayanan, Kannabiran; Alexakis, Alexandros

2016-01-01

We investigate the critical transition from an inverse cascade of energy to a forward energy cascade in a two-dimensional magnetohydrodynamic flow as the ratio of magnetic to mechanical forcing amplitude is varied. It is found that the critical transition is the result of two competing processes. The first process is due to hydrodynamic interactions and cascades the energy to the large scales. The second process couples small-scale magnetic fields to large-scale flows, transferring the energy back to the small scales via a nonlocal mechanism. At marginality the two cascades are both present and cancel each other. The phase space diagram of the transition is sketched.

Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system

NASA Astrophysics Data System (ADS)

Kiyokawa, Shuji

2018-05-01

In the Yukawa system with the dimensionless screening parameter κ>1.5 , when bcc-fcc transition occurs via Bain path, we show that spontaneous transitions do not occur even if the system temperature reaches the transition point of bcc-fcc because it is necessary to increase once the free energy in the process of transition from bcc to fcc through Bain deformation. Here, we refer the temporary increment of the free energy during Bain deformation as Bain barrier. Since there are the Bain barriers at the transitions between bcc and fcc phases, these phases may coexist as metastable state in the wide region (not a coexistence line) of κ and the coupling constant Γ. We study the excess energy of the system and the free energy difference between bcc and fcc phases by the Monte Carlo method, where the simulation box is divided into a large number of elements with small volume and a particle in the box is restricted be placed in one of these elements. By this method, we can tabulate the values of the interparticle potential and can calculate the internal energy fast and precisely.

Observations of Transiting Exoplanet Candidates Using BYU Facilities (Abstract)

NASA Astrophysics Data System (ADS)

Joner, M. D.; Hintz, E. G.; Stephens, D. C.

2018-06-01

(Abstract only) During the past five years, faculty and student observers at Brigham Young University have actively participated in observations of candidate objects as part of the follow-up network of observers for the KELT transiting exoplanet survey. These observations have made use of several small telescopes at the main campus Orson Pratt Observatory and adjacent observing deck, as well as the more remote West Mountain Observatory. Examples will be presented in this report to illustrate the wide variety of objects that have been encountered while securing observations for the KELT Follow-up Network. Many of these observations have contributed to publications that include both faculty and student researchers as coauthors.

Minimum Free Energy Path of Ligand-Induced Transition in Adenylate Kinase

PubMed Central

Matsunaga, Yasuhiro; Fujisaki, Hiroshi; Terada, Tohru; Furuta, Tadaomi; Moritsugu, Kei; Kidera, Akinori

2012-01-01

Large-scale conformational changes in proteins involve barrier-crossing transitions on the complex free energy surfaces of high-dimensional space. Such rare events cannot be efficiently captured by conventional molecular dynamics simulations. Here we show that, by combining the on-the-fly string method and the multi-state Bennett acceptance ratio (MBAR) method, the free energy profile of a conformational transition pathway in Escherichia coli adenylate kinase can be characterized in a high-dimensional space. The minimum free energy paths of the conformational transitions in adenylate kinase were explored by the on-the-fly string method in 20-dimensional space spanned by the 20 largest-amplitude principal modes, and the free energy and various kinds of average physical quantities along the pathways were successfully evaluated by the MBAR method. The influence of ligand binding on the pathways was characterized in terms of rigid-body motions of the lid-shaped ATP-binding domain (LID) and the AMP-binding (AMPbd) domains. It was found that the LID domain was able to partially close without the ligand, while the closure of the AMPbd domain required the ligand binding. The transition state ensemble of the ligand bound form was identified as those structures characterized by highly specific binding of the ligand to the AMPbd domain, and was validated by unrestrained MD simulations. It was also found that complete closure of the LID domain required the dehydration of solvents around the P-loop. These findings suggest that the interplay of the two different types of domain motion is an essential feature in the conformational transition of the enzyme. PMID:22685395

Energy Landscape and Transition State of Protein-Protein Association

NASA Astrophysics Data System (ADS)

Alsallaq, Ramzi; Zhou, Huan-Xiang

2006-11-01

Formation of a stereospecific protein complex is favored by specific interactions between two proteins but disfavored by the loss of translational and rotational freedom. Echoing the protein folding process, we have previously proposed a transition state for protein-protein association. Here we clarify the specification of the transition state by working with two toy models for protein association. The models demonstrate that a sharp transition between the bound state with numerous short-range interactions but restricted translation and rotational freedom and the unbound state with at most a small number of interactions but expanded configurational freedom. This transition sets the outer boundary of the bound state as well as the transition state for association. The energy landscape is funnel-like, with the deep well of the bound state surrounded by a broad shallow basin. This formalism of protein-protein association is applied to four protein-protein complexes, and is found to give accurate predictions for the effects of charge mutations and ionic strength on the association rates.

EXTRASOLAR BINARY PLANETS. II. DETECTABILITY BY TRANSIT OBSERVATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewis, K. M.; Ida, S.; Ochiai, H.

2015-05-20

We discuss the detectability of gravitationally bound pairs of gas-giant planets (which we call “binary planets”) in extrasolar planetary systems that are formed through orbital instability followed by planet–planet dynamical tides during their close encounters, based on the results of N-body simulations by Ochiai et al. (Paper I). Paper I showed that the formation probability of a binary is as much as ∼10% for three giant planet systems that undergo orbital instability, and after post-capture long-term tidal evolution, the typical binary separation is three to five times the sum of the physical radii of the planets. The binary planets aremore » stable during the main-sequence lifetime of solar-type stars, if the stellarcentric semimajor axis of the binary is larger than 0.3 AU. We show that detecting modulations of transit light curves is the most promising observational method to detect binary planets. Since the likely binary separations are comparable to the stellar diameter, the shape of the transit light curve is different from transit to transit, depending on the phase of the binary’s orbit. The transit durations and depth for binary planet transits are generally longer and deeper than those for the single planet case. We point out that binary planets could exist among the known inflated gas-giant planets or objects classified as false positive detections at orbital radii ≳0.3 AU, propose a binary planet explanation for the CoRoT candidate SRc01 E2 1066, and show that binary planets are likely to be present in, and could be detected using, Kepler-quality data.« less

Characterizing Giant Exoplanets through Multiwavelength Transit Observations: HAT-P-5 b

NASA Astrophysics Data System (ADS)

PeQueen, David Jeffrey; Cole, Jackson Lane; Gardner, Cristilyn N.; Garver, Bethany Ray; Jarka, Kyla L.; Kar, Aman; McGough, Aylin M.; Rivera, Daniel Ivan; Kasper, David; Jang-Condell, Hannah; Kobulnicky, Henry; Dale, Daniel

2018-01-01

During the summer of 2017, we observed hot Jupiter-type exoplanet transit events using the Wyoming Infrared Observatory’s 2.3 meter telescope. We observed 14 unique exoplanets during transit events; one such target was HAT-P-5 b. In total, we collected 53 usable science images in the Sloan filter set, particularly with the g’, r’, z’, and i’ band wavelength filters. This exoplanet transited approximately 40 minutes earlier than the currently published literature suggests. After reducing the data and running a Markov chain Monte Carlo analysis, we present results describing the planetary radius, semi-major axis, orbital period, and inclination of HAT-P-5 b. Characteristics of Rayleigh scattering are present in the atmosphere of this exoplanet. This work is supported by the National Science Foundation under REU grant AST 1560461.

Transition Dipole Moments and Transition Probabilities of the CN Radical

NASA Astrophysics Data System (ADS)

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

2018-04-01

This paper studies the transition probabilities of electric dipole transitions between 10 low-lying states of the CN radical. These states are X2Σ+, A2Π, B2Σ+, a4Σ+, b4Π, 14Σ‑, 24Π, 14Δ, 16Σ+, and 16Π. The potential energy curves are calculated using the CASSCF method, which is followed by the icMRCI approach with the Davidson correction. The transition dipole moments between different states are calculated. To improve the accuracy of 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 included. The Franck–Condon factors and Einstein coefficients of emissions are calculated. The radiative lifetimes are determined for the vibrational levels of the A2Π, B2Σ+, b4Π, 14Σ‑, 24Π, 14Δ, and 16Π states. According to the transition probabilities and radiative lifetimes, some guidelines for detecting these states spectroscopically are proposed. The spin–orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The splitting energy in the A2Π state is determined to be 50.99 cm‑1, which compares well with the experimental ones. The potential energy curves, transition dipole moments, spectroscopic parameters, and transition probabilities reported in this paper can be considered to be very reliable. The results obtained here can be used as guidelines for detecting these transitions, in particular those that have not been measured in previous experiments or have not been observed in the Sun, comets, stellar atmospheres, dark interstellar clouds, and diffuse interstellar clouds.

Students' Energy Concepts at the Transition Between Primary and Secondary School

NASA Astrophysics Data System (ADS)

Opitz, Sebastian T.; Harms, Ute; Neumann, Knut; Kowalzik, Kristin; Frank, Arne

2015-10-01

Energy is considered both a core idea and a crosscutting concept in science education. A thorough understanding of the energy concept is thought to help students learn about other (related) concepts within and across science subjects, thereby fostering scientific literacy. This study investigates students' progression in understanding the energy concept in biological contexts at the transition from primary to lower secondary school by employing a quantitative, cross-sectional study in grades 3-6 ( N = 540) using complex multiple-choice items. Based on a model developed in a previous study, energy concepts were assessed along four aspects of energy: (1) forms and sources of energy, (2) transfer and transformation, (3) degradation and dissipation, and (4) energy conservation. Two parallel test forms (A and B) indicated energy concept scores to increase significantly by a factor of 2.3 (A)/1.7 (B) from grade 3 to grade 6. Students were observed to progress in their understanding of all four aspects of the concept and scored highest on items for energy forms. The lowest scores and the smallest gain across grades were found for energy conservation. Based on our results, we argue that despite numerous learning opportunities, students lack a more integrated understanding of energy at this stage, underlining the requirement of a more explicit approach to teaching energy to young learners. Likewise, more interdisciplinary links for energy learning between relevant contexts in each science discipline may enable older students to more efficiently use energy as a tool and crosscutting concept with which to analyze complex content.

Improving the Transition of Earth Satellite Observations from Research to Operations

NASA Technical Reports Server (NTRS)

Goodman, Steven J.; Lapenta, William M.; Jedlovec, Gary J.

2004-01-01

There are significant gaps between the observations, models, and decision support tools that make use of new data. These challenges include: 1) Decreasing the time to incorporate new satellite data into operational forecast assimilation systems, 2) Blending in-situ and satellite observing systems to produce the most accurate and comprehensive data products and assessments, 3) Accelerating the transition from research to applications through national test beds, field campaigns, and pilot demonstrations, and 4) Developing the partnerships and organizational structures to effectively transition new technology into operations. At the Short-term Prediction Research and Transition (SPORT) Center in Huntsville, Alabama, a NASA-NOAA-University collaboration has been developed to accelerate the infusion of NASA Earth science observations, data assimilation and modeling research into NWS forecast operations and decision-making. The SPoRT Center research focus is to improve forecasts through new observation capability and the regional prediction objectives of the US Weather Research Program dealing with 0-1 day forecast issues such as convective initiation and 24-hr quantitative precipitation forecasting. The near real-time availability of high-resolution experimental products of the atmosphere, land, and ocean from the Moderate Resolution Imaging Spectroradiometer (MODIS), the Advanced Infrared Spectroradiometer (AIRS), and lightning mapping systems provide an opportunity for science and algorithm risk reduction, and for application assessment prior to planned observations from the next generation of operational low Earth orbiting and geostationary Earth orbiting satellites. This paper describes the process for the transition of experimental products into forecast operations, current products undergoing assessment by forecasters, and plans for the future. The SPoRT Web page is at (http://www.ghcc.msfc.nasa.gov/sport).

Energy storage deployment and innovation for the clean energy transition

NASA Astrophysics Data System (ADS)

Kittner, Noah; Lill, Felix; Kammen, Daniel M.

2017-09-01

The clean energy transition requires a co-evolution of innovation, investment, and deployment strategies for emerging energy storage technologies. A deeply decarbonized energy system research platform needs materials science advances in battery technology to overcome the intermittency challenges of wind and solar electricity. Simultaneously, policies designed to build market growth and innovation in battery storage may complement cost reductions across a suite of clean energy technologies. Further integration of R&D and deployment of new storage technologies paves a clear route toward cost-effective low-carbon electricity. Here we analyse deployment and innovation using a two-factor model that integrates the value of investment in materials innovation and technology deployment over time from an empirical dataset covering battery storage technology. Complementary advances in battery storage are of utmost importance to decarbonization alongside improvements in renewable electricity sources. We find and chart a viable path to dispatchable US$1 W-1 solar with US$100 kWh-1 battery storage that enables combinations of solar, wind, and storage to compete directly with fossil-based electricity options.

Transit investments for greenhouse gas and energy reduction program : first assessment report.

DOT National Transportation Integrated Search

2012-07-01

The purpose of this report is to provide an overview and preliminary analysis of the U.S. Department of Transportation, Federal Transit Administrations TIGGER Program. TIGGER, which stands for Transit Investments for Greenhouse Gas and Energy Redu...

Multi-band transit observations of the TrES-2b exoplanet

NASA Astrophysics Data System (ADS)

Mislis, D.; Schröter, S.; Schmitt, J. H. M. M.; Cordes, O.; Reif, K.

2010-02-01

We present a new data set of transit observations of the TrES-2b exoplanet taken in spring 2009, using the 1.2 m Oskar-Lühning telescope (OLT) of Hamburg Observatory and the 2.2 m telescope at Calar Alto Observatory using BUSCA (Bonn University Simultaneous CAmera). Both the new OLT data, taken with the same instrumental setup as our data taken in 2008, as well as the simultaneously recorded multicolor BUSCA data confirm the low inclination values reported previously, and in fact suggest that the TrES-2b exoplanet has already passed the first inclination threshold (imin,1 = 83.417°) and is not eclipsing the full stellar surface any longer. Using the multi-band BUSCA data we demonstrate that the multicolor light curves can be consistently fitted with a given set of limb darkening coefficients without the need to adjust these coefficients, and further, we can demonstrate that wavelength dependent stellar radius changes must be small as expected from theory. Our new observations provide further evidence for a change of the orbit inclination of the transiting extrasolar planet TrES-2b reported previously. We examine in detail possible causes for this inclination change and argue that the observed change should be interpreted as nodal regression. While the assumption of an oblate host star requires an unreasonably large second harmonic coefficient, the existence of a third body in the form of an additional planet would provide a very natural explanation for the observed secular orbit change. Given the lack of clearly observed short-term variations of transit timing and our observed secular nodal regression rate, we predict a period between approximately 50 and 100 days for a putative perturbing planet of Jovian mass. Such an object should be detectable with present-day radial velocity (RV) techniques, but would escape detection through transit timing variations. Photometric transit data are only available in electronic form at the CDS via anonymous ftp to cdsarc

Phase Transition of H 2 in Subnanometer Pores Observed at 75 K

DOE PAGES

Olsen, Raina J.; Gillespie, Andrew K.; Contescu, Cristian I.; ...

2017-10-30

In this paper, we report a phase transition in H 2 adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5–0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly. The phase transition is observed at 75 K, temperatures far higher than other systems in which an adsorbent is known to increase phase transition temperatures: for instance, H 2 melts at 14 K in the bulk, but at 20 K on graphite because the solid H 2 is stabilized by the surface structure. Here we observe a transition at 75 Kmore » and 77–200 bar: from a low-temperature, low-density phase to a high-temperature, higher density phase. We model the low-density phase as a monolayer commensurate solid composed mostly of para-H 2 (the ground nuclear spin state, S = 0) and the high-density phase as an orientationally ordered bilayer commensurate solid composed mostly of ortho-H 2 (S = 1). We attribute the increase in density with temperature to the fact that the oblong ortho-H 2 can pack more densely. The transition is observed using two experiments. The high-density phase is associated with an increase in neutron backscatter by a factor of 7.0 ± 0.1. Normally, hydrogen produces no backscatter (scattering angle >90°). This backscatter appears along with a discontinuous increase in the excitation mass from 1.2 amu to 21.0 ± 2.3 amu, which we associate with collective nuclear spin excitations in the orientationally ordered phase. Film densities were measured using hydrogen adsorption. Finally, no phase transition was observed in H 2 adsorbed in control activated carbon materials.« less

Phase Transition of H 2 in Subnanometer Pores Observed at 75 K

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olsen, Raina J.; Gillespie, Andrew K.; Contescu, Cristian I.

In this paper, we report a phase transition in H 2 adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5–0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly. The phase transition is observed at 75 K, temperatures far higher than other systems in which an adsorbent is known to increase phase transition temperatures: for instance, H 2 melts at 14 K in the bulk, but at 20 K on graphite because the solid H 2 is stabilized by the surface structure. Here we observe a transition at 75 Kmore » and 77–200 bar: from a low-temperature, low-density phase to a high-temperature, higher density phase. We model the low-density phase as a monolayer commensurate solid composed mostly of para-H 2 (the ground nuclear spin state, S = 0) and the high-density phase as an orientationally ordered bilayer commensurate solid composed mostly of ortho-H 2 (S = 1). We attribute the increase in density with temperature to the fact that the oblong ortho-H 2 can pack more densely. The transition is observed using two experiments. The high-density phase is associated with an increase in neutron backscatter by a factor of 7.0 ± 0.1. Normally, hydrogen produces no backscatter (scattering angle >90°). This backscatter appears along with a discontinuous increase in the excitation mass from 1.2 amu to 21.0 ± 2.3 amu, which we associate with collective nuclear spin excitations in the orientationally ordered phase. Film densities were measured using hydrogen adsorption. Finally, no phase transition was observed in H 2 adsorbed in control activated carbon materials.« less

Energy at the Frontier: Low Carbon Energy System Transitions and Innovation in Four Prime Mover Countries

NASA Astrophysics Data System (ADS)

Araujo, Kathleen M.

All too often, discussion about the imperative to change national energy pathways revolves around long timescales and least cost economics of near-term energy alternatives. While both elements certainly matter, they don't fully reflect what can drive such development trajectories. This study explores national energy transitions by examining ways in which four prime mover countries of low carbon energy technology shifted away from fossil fuels, following the first global oil crisis of 1973. The research analyzes the role of readiness, sectoral contributions and adaptive policy in the scale-up and innovations of advanced, alternative energy technologies. Cases of Brazilian biofuels, Danish wind power, French nuclear power and Icelandic geothermal energy are analyzed for a period of four decades. Fundamentally, the research finds that significant change can occur in under 15 years; that technology complexity need not necessarily impede change; and that countries of different governance approaches and consumption levels can effectuate such transitions. This research also underscores that low carbon energy technologies may be adopted before they are competitive and then become competitive in the process. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs - docs mit.edu)

Porous nanoarchitectures of spinel-type transition metal oxides for electrochemical energy storage systems.

PubMed

Park, Min-Sik; Kim, Jeonghun; Kim, Ki Jae; Lee, Jong-Won; Kim, Jung Ho; Yamauchi, Yusuke

2015-12-14

Transition metal oxides possessing two kinds of metals (denoted as AxB3-xO4, which is generally defined as a spinel structure; A, B = Co, Ni, Zn, Mn, Fe, etc.), with stoichiometric or even non-stoichiometric compositions, have recently attracted great interest in electrochemical energy storage systems (ESSs). The spinel-type transition metal oxides exhibit outstanding electrochemical activity and stability, and thus, they can play a key role in realising cost-effective and environmentally friendly ESSs. Moreover, porous nanoarchitectures can offer a large number of electrochemically active sites and, at the same time, facilitate transport of charge carriers (electrons and ions) during energy storage reactions. In the design of spinel-type transition metal oxides for energy storage applications, therefore, nanostructural engineering is one of the most essential approaches to achieving high electrochemical performance in ESSs. In this perspective, we introduce spinel-type transition metal oxides with various transition metals and present recent research advances in material design of spinel-type transition metal oxides with tunable architectures (shape, porosity, and size) and compositions on the micro- and nano-scale. Furthermore, their technological applications as electrode materials for next-generation ESSs, including metal-air batteries, lithium-ion batteries, and supercapacitors, are discussed.

Energy levels, radiative rates, and lifetimes for transitions in W LVIII

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aggarwal, Kanti M., E-mail: K.Aggarwal@qub.ac.uk; Keenan, Francis P.

2014-11-15

Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the general-purpose relativistic atomic structure package (GRASP) adopted for the calculations. Since no other results of comparable complexity are available, calculations have also been performed with the flexible atomic code (FAC), which help in assessing the accuracy of our results. Energies are listed for the lowest 400 levels (with energies up to ∼98 Ryd), which mainly belong to the 3s{sup 2}3p{sup 5}, 3s3p{sup 6}, 3s{supmore » 2}3p{sup 4}3d, 3s{sup 2}3p{sup 3}3d{sup 2}, 3s3p{sup 4}3d{sup 2}, 3s{sup 2}3p{sup 2}3d{sup 3}, and 3p{sup 6}3d configurations, and radiative rates are provided for four types of transitions, i.e. E1, E2, M1, and M2. Our energy levels are assessed to be accurate to better than 0.5%, whereas radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.« less

Non-resonant electromechanical energy harvesting using inter-ferroelectric phase transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pérez Moyet, Richard; Rossetti, George A., E-mail: george.rossetti-jr@uconn.edu; Stace, Joseph

Non-resonant electromechanical energy harvesting is demonstrated under low frequency excitation (<50 Hz) using [110]{sub C}-poled lead indium niobate-lead magnesium niobate-lead titanate relaxor ferroelectric single crystals with compositions near the morphotropic phase boundary. The efficiency of power generation at the stress-induced phase transition between domain-engineered rhombohedral and orthorhombic ferroelectric states is as much as four times greater than is obtained in the linear piezoelectric regime under identical measurement conditions but during loading below the coercive stress of the phase change. The phase transition mode of electromechanical transduction holds potential for non-resonant energy harvesting from low-frequency vibrations and does not require mechanical frequencymore » up-conversion.« less

Asymmetric shape transitions of epitaxial quantum dots

PubMed Central

2016-01-01

We construct a two-dimensional continuum model to describe the energetics of shape transitions in fully faceted epitaxial quantum dots (strained islands) via minimization of elastic energy and surface energy at fixed volume. The elastic energy of the island is based on a third-order approximation, enabling us to consider shape transitions between pyramids, domes, multifaceted domes and asymmetric intermediate states. The energetics of the shape transitions are determined by numerically calculating the facet lengths that minimize the energy of a given island type of prescribed island volume. By comparing the energy of different island types with the same volume and analysing the energy surface as a function of the island shape parameters, we determine the bifurcation diagram of equilibrium solutions and their stability, as well as the lowest barrier transition pathway for the island shape as a function of increasing volume. The main result is that the shape transition from pyramid to dome to multifaceted dome occurs through sequential nucleation of facets and involves asymmetric metastable transition shapes. We also explicitly determine the effect of corner energy (facet edge energy) on shape transitions and interpret the results in terms of the relative stability of asymmetric island shapes as observed in experiment. PMID:27436989

Cohesion and coordination effects on transition metal surface energies

NASA Astrophysics Data System (ADS)

Ruvireta, Judit; Vega, Lorena; Viñes, Francesc

2017-10-01

Here we explore the accuracy of Stefan equation and broken-bond model semiempirical approaches to obtain surface energies on transition metals. Cohesive factors are accounted for either via the vaporization enthalpies, as proposed in Stefan equation, or via cohesive energies, as employed in the broken-bond model. Coordination effects are considered including the saturation degree, as suggested in Stefan equation, employing Coordination Numbers (CN), or as the ratio of broken bonds, according to the bond-cutting model, considering as well the square root dependency of the bond strength on CN. Further, generalized coordination numbers CN bar are contemplated as well, exploring a total number of 12 semiempirical formulations on the three most densely packed surfaces of 3d, 4d, and 5d Transition Metals (TMs) displaying face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. Estimates are compared to available experimental surface energies obtained extrapolated to zero temperature. Results reveal that Stefan formula cohesive and coordination dependencies are only qualitative suited, but unadvised for quantitative discussion, as surface energies are highly overestimated, favoring in addition the stability of under-coordinated surfaces. Broken-bond cohesion and coordination dependencies are a suited basis for quantitative comparison, where square-root dependencies on CN to account for bond weakening are sensibly worse. An analysis using Wulff shaped averaged surface energies suggests the employment of broken-bond model using CN to gain surface energies for TMs, likely applicable to other metals.

Simultaneous broadband observations and high-resolution X-ray spectroscopy of the transitional millisecond pulsar PSR J1023+0038

NASA Astrophysics Data System (ADS)

Coti Zelati, F.; Campana, S.; Braito, V.; Baglio, M. C.; D'Avanzo, P.; Rea, N.; Torres, D. F.

2018-03-01

We report on the first simultaneous XMM-Newton, NuSTAR, and Swift observations of the transitional millisecond pulsar PSR J1023+0038 in the X-ray active state. Our multi-wavelength campaign allowed us to investigate with unprecedented detail possible spectral variability over a broad energy range in the X-rays, as well as correlations and lags among emissions in different bands. The soft and hard X-ray emissions are significantly correlated, with no lags between the two bands. On the other hand, the X-ray emission does not correlate with the UV emission. We refine our model for the observed mode switching in terms of rapid transitions between a weak propeller regime and a rotation-powered radio pulsar state, and report on a detailed high-resolution X-ray spectroscopy using all XMM-Newton Reflection Grating Spectrometer data acquired since 2013. We discuss our results in the context of the recent discoveries on the system and of the state of the art simulations on transitional millisecond pulsars, and show how the properties of the narrow emission lines in the soft X-ray spectrum are consistent with an origin within the accretion disc.

A space bourne crystal diffraction telescope for the energy range of nuclear transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

von Ballmoos, P.; Naya, J.E.; Albernhe, F.

1995-10-01

Recent experimental work of the Toulouse-Argonne collaboration has opened for perspective of a focusing gamma-ray telescope operating in the energy range of nuclear transitions, featuring unprecedented sensitivity, angular and energy resolution. The instrument consists of a tunable crystal diffraction lens situated on a stabilized spacecraft, focusing gamma-rays onto a small array of Germanium detectors perched on an extendible boom. While the weight of such an instrument is less than 500 kg, it features an angular resolution of 15 in., an energy resolution of 2 keV and a 3 {sigma} narrow line sensitivity of a few times 10{sup {minus}7} photons s{supmore » {minus}1} cm{sup {minus}2} (10{sup 6} sec observation). This instrumental concept permits observation of any identified source at any selected line-energy in a range of typically 200 keV to 1300 keV. The resulting ``sequential`` operation mode makes sites of explosive nucleosynthesis natural scientific objectives for such a telescope: the nuclear lines of extragalactic supernovae ({sup 56}Ni, {sup 44}Ti, {sup 60}Fe) and galactic novae (p{sup {minus}}p{sup +} line, {sup 7}Be) are accessible to observation, one at a time, due to the erratic appearance and the sequence of half-lifes of these events. Other scientific objectives, include the narrow 511 keV line from galactic broad class annihilators (such as 1E1740-29, nova musca) and possible redshifted annihilation lines from AGN`s.« less

Multi-band, multi-epoch observations of the transiting warm Jupiter WASP-80b

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukui, Akihiko; Kuroda, Daisuke; Kawashima, Yui

WASP-80b is a warm Jupiter transiting a bright late-K/early-M dwarf, providing a good opportunity to extend the atmospheric study of hot Jupiters toward the lower temperature regime. We report multi-band, multi-epoch transit observations of WASP-80b by using three ground-based telescopes covering from optical (g', R{sub c}, and I{sub c} bands) to near-infrared (NIR; J, H, and K{sub s} bands) wavelengths. We observe 5 primary transits, each in 3 or 4 different bands simultaneously, obtaining 17 independent transit light curves. Combining them with results from previous works, we find that the observed transmission spectrum is largely consistent with both a solarmore » abundance and thick cloud atmospheric models at a 1.7σ discrepancy level. On the other hand, we find a marginal spectral rise in the optical region compared to the NIR region at the 2.9σ level, which possibly indicates the existence of haze in the atmosphere. We simulate theoretical transmission spectra for a solar abundance but hazy atmosphere, finding that a model with equilibrium temperature of 600 K can explain the observed data well, having a discrepancy level of 1.0σ. We also search for transit timing variations, but find no timing excess larger than 50 s from a linear ephemeris. In addition, we conduct 43 day long photometric monitoring of the host star in the optical bands, finding no significant variation in the stellar brightness. Combined with the fact that no spot-crossing event is observed in the five transits, our results confirm previous findings that the host star appears quiet for spot activities, despite the indications of strong chromospheric activities.« less

A theoretical and observational study of the Red Giant Branch phase transition in Magellanic Cloud clusters - A progress report

NASA Technical Reports Server (NTRS)

Buonanno, R.; Corsi, C. E.; Fusi Pecci, F.; Greggio, L.; Renzini, A.; Sweigart, A. V.

1986-01-01

Preliminary results are reported for an investigation comparing theoretical models of the sudden appearance of an extended RGB (and its effects on the spectral energy distributions of stellar populations) with data from ESO CCD observations of clusters in the LMC and SMC. Isochrones for the entire RGB are being constructed on the basis of 100 new evolutionary sequences (calculated using the evolution code of Sweigart and Gross, 1976 and 1978) to permit determination of synthetic colors and spectral energy distributions. The observations so far indicate a main sequence about 0.1 mag redder than that predicted by the present models or by the isochrones of VandenBerg and Bell (1985), and fail to show a B-V color difference at the RGB phase transition.

What determines transitions between energy- and moisture-limited evaporative regimes?

NASA Astrophysics Data System (ADS)

Haghighi, E.; Gianotti, D.; Akbar, R.; Salvucci, G.; Entekhabi, D.

2017-12-01

The relationship between evaporative fraction (EF) and soil moisture (SM) has traditionally been used in atmospheric and land-surface modeling communities to determine the strength of land-atmosphere coupling in the context of the dominant evaporative regime (energy- or moisture-limited). However, recent field observations reveal that EF-SM relationship is not unique and could vary substantially with surface and/or meteorological conditions. This implies that conventional EF-SM relationships (exclusive of surface and meteorological conditions) are embedded in more complex dependencies and that in fact it is a multi-dimensional function. To fill the fundamental knowledge gaps on the important role of varying surface and meteorological conditions not accounted for by the traditional evaporative regime conceptualization, we propose a generalized EF framework using a mechanistic pore-scale model for evaporation and energy partitioning over drying soil surfaces. Nonlinear interactions among the components of the surface energy balance are reflected in a critical SM that marks the onset of transition between energy- and moisture-limited evaporative regimes. The new generalized EF framework enables physically based estimates of the critical SM, and provides new insights into the origin of land surface EF partitioning linked to meteorological input data and the evolution of land surface temperature during surface drying that affect the relative efficiency of surface energy balance components. Our results offer new opportunities to advance predictive capabilities quantifying land-atmosphere coupling for a wide range of present and projected meteorological input data.

Enhancement of elliptic flow can signal a first-order phase transition in high-energy heavy-ion collisions

NASA Astrophysics Data System (ADS)

Nara, Yasushi; Niemi, Harri; Ohnishi, Akira; Steinheimer, Jan; Luo, Xiaofeng; Stöcker, Horst

2018-02-01

The beam energy dependence of the elliptic flow, v2, is studied in mid-central Au+Au collisions in the energy range of 3≤ √{s_{NN}} ≤ 30 GeV within the microscopic transport model JAM. The results of three different modes of JAM are compared; cascade-, hadronic mean field-, and a new mode with modified equations of state, with a first-order phase transition and with a crossover transition. The standard hadronic mean field suppresses the elliptic flow v2, while the inclusion of the effects of a first-order phase transition (and also of a crossover transition) does enhance the elliptic flow at √{s_{NN}} < 30 GeV. This is due to the high sensitivity of v2 on the early, compression stage, pressure gradients of the systems created in high-energy heavy-ion collisions. The enhancement or suppression of the scaled energy flow, dubbed "elliptic flow", v2= <(px2-py2)/pT2 >, is understood as being due to out-of-plane flow, py > px, i.e. v2 < 0, dubbed out of plane - "squeeze-out", which occurs predominantly in the early, compression stage. Subsequently, the in-plane flow dominates, px > py, in the expansion stage, v2 > 0. The directed flow, v1(y) = < px(y)/pT(y)>, dubbed "bounce-off", is an independent measure of the pressure, which quickly builds up the transverse momentum transfer in the reaction plane. When the spectator matter leaves the participant fireball region, where the highest compression occurs, a hard expansion leads to larger v2. A combined analysis of the three transverse flow coefficients, radial v0 ˜ v_{\\perp}-, directed v1- and elliptic v2- flow of nucleons, in the beam energy range 3≤√{s_{NN}} ≤ 10 GeV, distinguishes the different compression and expansion scenarios: a characteristic dependence on the early stage equation of state is observed. The enhancement of both the elliptic and the transverse radial flow and the simultaneous collapse of the directed flow of nucleons offers a clear signature if a first-order phase transition is realized

Dependence of transition width on current and critical current in transition-edge sensors

NASA Astrophysics Data System (ADS)

Morgan, K. M.; Pappas, C. G.; Bennett, D. A.; Gard, J. D.; Hays-Wehle, J. P.; Hilton, G. C.; Reintsema, C. D.; Schmidt, D. R.; Ullom, J. N.; Swetz, D. S.

2017-05-01

In superconducting transition-edge sensor X-ray detectors, we observe that as the thermal conductance (G) to the heat bath increases, the resistive transition broadens. Consequently, the sensitivity of films to deposited energy worsens. Using a two-fluid model for the superconducting-to-normal transition in a thin film, we show that this broadening can be attributed to the larger current (I0) necessary for biasing the film at a given point in the transition for higher-G devices, resulting in a higher Ic0/I0 ratio (Ic0 is the film's critical current at zero temperature). To recover a sharper transition, we fabricated rectangular films with varying numbers of internal normal-metal structures while keeping G constant, allowing the independent variation of both I0 and Ic0. We show that it is possible to manipulate the transition width and G independently, thus enabling fast thermal sensors with an excellent energy resolution.

Tapir: A web interface for transit/eclipse observability

NASA Astrophysics Data System (ADS)

Jensen, Eric

2013-06-01

Tapir is a set of tools, written in Perl, that provides a web interface for showing the observability of periodic astronomical events, such as exoplanet transits or eclipsing binaries. The package provides tools for creating finding charts for each target and airmass plots for each event. The code can access target lists that are stored on-line in a Google spreadsheet or in a local text file.

Local energy governance in vermont: an analysis of energy system transition strategies and actor capacity

NASA Astrophysics Data System (ADS)

Rowse, Tarah

While global, national, and regional efforts to address climate and energy challenges remain essential, local governments and community groups are playing an increasingly stronger and vital role. As an active state in energy system policy, planning and innovation, Vermont offers a testing ground for research into energy governance at the local level. A baseline understanding of the energy planning and energy organizing activities initiated at the local level can support efforts to foster a transition to a sustainable energy system in Vermont. Following an inductive, applied and participatory approach, and grounded in the fields of sustainability transitions, energy planning, and community energy, this research project identifies conditions for change, including opportunities and challenges, within Vermont energy system decision-making and governance at the local level. The following questions are posed: What are the main opportunities and challenges for sustainable energy development at the town level? How are towns approaching energy planning? What are the triggers that will facilitate a faster transition to alternative energy systems, energy efficiency initiatives, and localized approaches? In an effort to answer these questions two studies were conducted: 1) an analysis of municipal energy plans, and 2) a survey of local energy actors. Study 1 examined Vermont energy planning at the state and local level through a review and comparison of 40 municipal plan energy chapters with the state 2011 Comprehensive Energy Plan. On average, municipal plans mentioned just over half of the 24 high-level strategies identified in the Comprehensive Energy Plan. Areas of strong and weak agreement were examined. Increased state and regional interaction with municipal energy planners would support more holistic and coordinated energy planning. The study concludes that while municipalities are keenly aware of the importance of education and partnerships, stronger policy mechanisms

Global Warming and Energy Transition: A Public Policy Imperative

NASA Astrophysics Data System (ADS)

Stone, G. T.

2006-12-01

The historic transition from fossil fuels to alternative energy resources has begun. This development is commonly attributed to increasing energy costs and the need for energy security. Looming ever larger, however, is the issue that will soon drive the third energy revolution: global warming. A preponderance of evidence documents accelerating warming, enlarging impacts, and human causes -- principally combustion of fossil fuels. The carbon dioxide (C02) content of Earth's atmosphere has increased more than 35 percent since the beginning of the industrial revolution and is the highest in 650,000 years. This dramatic rise of C02 and attendant positive feedbacks are already forcing significant impacts worldwide. These include atmospheric warming with shifting climatic and habitat zones, spreading tropical disease, and more extreme weather events; rapid ice loss at high latitude and high altitude; ocean warming and acidification with coral reef bleaching and intensifying tropical storms; rising sea level; and accelerating extinction rates. The 2007 draft report of the Intergovernmental Panel on Climate Change (IPCC) predicts greater warming than in previous models. A tipping point to abrupt climate change may be imminent. It is incumbent upon geoscientists and geoscience educators to assume leadership in addressing this challenge through public outreach and general education. The following topics should be integrated into all appropriate courses: the evidence of global warming and its causes; observed present and predicted future impacts of global warming; mitigation and adaptation strategies; and implications for energy policies and economic opportunities. New entry-level science and general education courses -- such as Climate Change Fundamentals and Energy in Nature, Technology, and Society -- are proving to be effective should be widely developed In addition, by workshops and presentations to civic and business organizations and by demonstrated examples of

The roles of users in shaping transitions to new energy systems

NASA Astrophysics Data System (ADS)

Schot, Johan; Kanger, Laur; Verbong, Geert

2016-05-01

Current government information policies and market-based instruments aimed at influencing the energy choices of consumers often ignore the fact that consumer behaviour is not fully reducible to individuals making rational conscious decisions all the time. The decisions of consumers are largely configured by shared routines embedded in socio-technical systems. To achieve a transition towards a decarbonized and energy-efficient system, an approach that goes beyond individual consumer choice and puts shared routines and system change at its centre is needed. Here, adopting a transitions perspective, we argue that consumers should be reconceptualized as users who are important stakeholders in the innovation process shaping new routines and enacting system change. We review the role of users in shifts to new decarbonized and energy-efficient systems and provide a typology of user roles.

Nonequilibrium phase transitions in cuprates observed by ultrafast electron crystallography.

PubMed

Gedik, Nuh; Yang, Ding-Shyue; Logvenov, Gennady; Bozovic, Ivan; Zewail, Ahmed H

2007-04-20

Nonequilibrium phase transitions, which are defined by the formation of macroscopic transient domains, are optically dark and cannot be observed through conventional temperature- or pressure-change studies. We have directly determined the structural dynamics of such a nonequilibrium phase transition in a cuprate superconductor. Ultrafast electron crystallography with the use of a tilted optical geometry technique afforded the necessary atomic-scale spatial and temporal resolutions. The observed transient behavior displays a notable "structural isosbestic" point and a threshold effect for the dependence of c-axis expansion (Deltac) on fluence (F), with Deltac/F = 0.02 angstrom/(millijoule per square centimeter). This threshold for photon doping occurs at approximately 0.12 photons per copper site, which is unexpectedly close to the density (per site) of chemically doped carriers needed to induce superconductivity.

Laboratory measurements of the K-shell transition energies in L-shell ions of Si and S [Energy measurements of K-shell transitions in L-shell ions of Si and S

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hell, Natalie; Brown, G. V.; Wilms, J.

We have measured the energies of the strongest 1s–2more » $${\\ell }\\ ({\\ell }={\\rm{s}},{\\rm{p}})$$ transitions in He- through Ne-like silicon and sulfur ions to an accuracy of $$\\lt 1\\,\\mathrm{eV}$$ using the Lawrence Livermore National Laboratory's electron beam ion traps, EBIT-I and SuperEBIT, and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify and measure the energies of 18 and 21 X-ray features from silicon and sulfur, respectively. The results are compared to new Flexible Atomic Code calculations and to semi-relativistic Hartree–Fock calculations by Palmeri et al. (2008). These results will be especially useful for wind diagnostics in high-mass X-ray binaries, such as Vela X-1 and Cygnus X-1, where high-resolution spectral measurements using Chandra's high-energy transmission grating has made it possible to measure Doppler shifts of $$100\\,\\mathrm{km}\\,{{\\rm{s}}}^{-1}$$. The accuracy of our measurements is consistent with that needed to analyze Chandra observations, exceeding Chandra's $$100\\,\\mathrm{km}\\,{{\\rm{s}}}^{-1}$$ limit. Hence, the results presented here not only provide benchmarks for theory, but also accurate rest energies that can be used to determine the bulk motion of material in astrophysical sources. Finally, we show the usefulness of our results by applying them to redetermine Doppler shifts from Chandra observations of Vela X-1.« less

Laboratory measurements of the K-shell transition energies in L-shell ions of Si and S [Energy measurements of K-shell transitions in L-shell ions of Si and S

DOE PAGES

Hell, Natalie; Brown, G. V.; Wilms, J.; ...

2016-10-04

We have measured the energies of the strongest 1s–2more » $${\\ell }\\ ({\\ell }={\\rm{s}},{\\rm{p}})$$ transitions in He- through Ne-like silicon and sulfur ions to an accuracy of $$\\lt 1\\,\\mathrm{eV}$$ using the Lawrence Livermore National Laboratory's electron beam ion traps, EBIT-I and SuperEBIT, and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify and measure the energies of 18 and 21 X-ray features from silicon and sulfur, respectively. The results are compared to new Flexible Atomic Code calculations and to semi-relativistic Hartree–Fock calculations by Palmeri et al. (2008). These results will be especially useful for wind diagnostics in high-mass X-ray binaries, such as Vela X-1 and Cygnus X-1, where high-resolution spectral measurements using Chandra's high-energy transmission grating has made it possible to measure Doppler shifts of $$100\\,\\mathrm{km}\\,{{\\rm{s}}}^{-1}$$. The accuracy of our measurements is consistent with that needed to analyze Chandra observations, exceeding Chandra's $$100\\,\\mathrm{km}\\,{{\\rm{s}}}^{-1}$$ limit. Hence, the results presented here not only provide benchmarks for theory, but also accurate rest energies that can be used to determine the bulk motion of material in astrophysical sources. Finally, we show the usefulness of our results by applying them to redetermine Doppler shifts from Chandra observations of Vela X-1.« less

Transition Metal Nitrides for Electrocatalytic Energy Conversion: Opportunities and Challenges.

PubMed

Xie, Junfeng; Xie, Yi

2016-03-07

Electrocatalytic energy conversion has been considered as one of the most efficient and promising pathways for realizing energy storage and energy utilization in modern society. To improve electrocatalytic reactions, specific catalysts are needed to lower the overpotential. In the search for efficient alternatives to noble metal catalysts, transition metal nitrides have attracted considerable interest due to their high catalytic activity and unique electronic structure. Over the past few decades, numerous nitride-based catalysts have been explored with respect to their ability to drive various electrocatalytic reactions, such as the hydrogen evolution reaction and the oxygen evolution reaction to achieve water splitting and the oxygen reduction reaction coupled with the methanol oxidation reaction to construct fuel cells or rechargeable Li-O2 batteries. This Minireview provides a brief overview of recent progress on electrocatalysts based on transition metal nitrides, and outlines the current challenges and future opportunities. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling the Oil Transition: A Summary of the Proceedings of the DOE/EPA Workshop on the Economic and Environmental Implications of Global Energy Transitions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greene, David L

2007-02-01

The global energy system faces sweeping changes in the next few decades, with potentially critical implications for the global economy and the global environment. It is important that global institutions have the tools necessary to predict, analyze and plan for such massive change. This report summarizes the proceedings of an international workshop concerning methods of forecasting, analyzing, and planning for global energy transitions and their economic and environmental consequences. A specific case, it focused on the transition from conventional to unconventional oil and other energy sources likely to result from a peak in non-OPEC and/or global production of conventional oil.more » Leading energy models from around the world in government, academia and the private sector met, reviewed the state-of-the-art of global energy modeling and evaluated its ability to analyze and predict large-scale energy transitions.« less

Determination of the energy transitions and half-lives of Rubidium nuclei

NASA Astrophysics Data System (ADS)

Biçer, Ahmet; Manisa, Kaan; Engin Çalık, Abdullah; Erdoğan, Mehmet; Şen, Mürsel; Bircan, Hasan; Dapo, Haris; Boztosun, Ismail

2018-03-01

The photonuclear reactions, first extensively studied in the 1970's and performed using the gamma rays obtained via bremsstrahlung, are a standard nuclear physics experiment. In this study, a non-enriched Rubidium sample was irradiated with photons produced by a clinical linear electron accelerator (cLINACs) with energies up to 18 MeV with the aim of activating it through photonuclear reactions. The activated sample was measured with a high purity germanium detector (HPGe) with the aim of measuring the transition energies and half-lives. The spectroscopic analysis performed on the obtained data yielded high quality results for the transition energies with precision matching or surpassing the literature data. For the half-lives the results were consistent with the literature, most notably the half-life of 84mRb decay was determined as 20.28(2) m. The results for both energies and half-lives further show that the clinical linear accelerators can be successfully used as an efficient tool in experimental nuclear research endeavors.

TRANSIT TIMING OBSERVATIONS FROM KEPLER. I. STATISTICAL ANALYSIS OF THE FIRST FOUR MONTHS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ford, Eric B.; Rowe, Jason F.; Caldwell, Douglas A.

The architectures of multiple planet systems can provide valuable constraints on models of planet formation, including orbital migration, and excitation of orbital eccentricities and inclinations. NASA's Kepler mission has identified 1235 transiting planet candidates. The method of transit timing variations (TTVs) has already confirmed seven planets in two planetary systems. We perform a transit timing analysis of the Kepler planet candidates. We find that at least {approx}11% of planet candidates currently suitable for TTV analysis show evidence suggestive of TTVs, representing at least {approx}65 TTV candidates. In all cases, the time span of observations must increase for TTVs to providemore » strong constraints on planet masses and/or orbits, as expected based on N-body integrations of multiple transiting planet candidate systems (assuming circular and coplanar orbits). We find the fraction of planet candidates showing TTVs in this data set does not vary significantly with the number of transiting planet candidates per star, suggesting significant mutual inclinations and that many stars with a single transiting planet should host additional non-transiting planets. We anticipate that Kepler could confirm (or reject) at least {approx}12 systems with multiple transiting planet candidates via TTVs. Thus, TTVs will provide a powerful tool for confirming transiting planets and characterizing the orbital dynamics of low-mass planets. If Kepler observations were extended to at least seven years, then TTVs would provide much more precise constraints on the dynamics of systems with multiple transiting planets and would become sensitive to planets with orbital periods extending into the habitable zone of solar-type stars.« less

Cool transition region loops observed by the Interface Region Imaging Spectrograph

NASA Astrophysics Data System (ADS)

Huang, Z.; Xia, L.; Li, B.; Madjarska, M. S.

2015-12-01

An important class of loops in the solar atmosphere, cool transition region loops, have received little attention mainly due to instrumental limitations. We analyze a cluster of these loops in the on-disk active region NOAA 11934 recorded in a Si IV 1402.8 Å spectral raster and 1400Å slit-jaw (SJ) images taken by the Interface Region Imaging Spectrograph. We divide these loops into three groups and study their dynamics, evolution and interaction.The first group comprises geometrically relatively stable loops, which are finely scaled with 382~626 km cross-sections. Siphon flows in these loops are suggested by the Doppler velocities gradually changing from -10 km/s (blue-shifts) in one end to 20 km/s (red-shifts) in the other. Nonthermal velocities from 15 to 25 km/s were determined. The obtained physical properties suggest that these loops are impulsively heated by magnetic reconnection occurring at the blue-shifted footpoints where magnetic cancellation with a rate of 1015 Mx/s is found. The released magnetic energy is redistributed by the siphon flows. The second group corresponds to two active footpoints rooted in mixed-magnetic-polarity regions. Magnetic reconnection in both footpoints is suggested by explosive-event line profiles with enhanced wings up to 200 km/s and magnetic cancellation with a rate of ~1015 Mx/s. In the third group, an interaction between two cool loop systems is observed. Mixed-magnetic polarities are seen in their conjunction area where explosive-event line profiles and magnetic cancellation with a rate of 3×1015 Mx/s are found. This is a clear indication that magnetic reconnection occurs between these two loop systems. Our observations suggest that the cool transition region loops are heated impulsively most likely by sequences of magnetic reconnection events.

Ultrasonic guided wave propagation across waveguide transitions: energy transfer and mode conversion.

PubMed

Puthillath, Padmakumar; Galan, Jose M; Ren, Baiyang; Lissenden, Cliff J; Rose, Joseph L

2013-05-01

Ultrasonic guided wave inspection of structures containing adhesively bonded joints requires an understanding of the interaction of guided waves with geometric and material discontinuities or transitions in the waveguide. Such interactions result in mode conversion with energy being partitioned among the reflected and transmitted modes. The step transition between an aluminum layer and an aluminum-adhesive-aluminum multi-layer waveguide is analyzed as a model structure. Dispersion analysis enables assessment of (i) synchronism through dispersion curve overlap and (ii) wavestructure correlation. Mode-pairs in the multi-layer waveguide are defined relative to a prescribed mode in a single layer as being synchronized and having nearly perfect wavestructure matching. Only a limited number of mode-pairs exist, and each has a unique frequency range. A hybrid model based on semi-analytical finite elements and the normal mode expansion is implemented to assess mode conversion at a step transition in a waveguide. The model results indicate that synchronism and wavestructure matching is associated with energy transfer through the step transition, and that the energy of an incident wave mode in a single layer is transmitted almost entirely to the associated mode-pair, where one exists. This analysis guides the selection of incident modes that convert into transmitted modes and improve adhesive joint inspection with ultrasonic guided waves.

Dependence of the third-order coefficients in Landau free energies for bcc --> fcc structural transition on hydrogen concentration in zirconium hydrides

NASA Astrophysics Data System (ADS)

Ashida, Yuh; Yamamoto, Masahiro; Naito, Shizuo; Mabuchi, Mahito; Hashino, Tomoyasu

1997-08-01

Young's modulus E and the modulus of rigidity G of zirconium hydrides ZrHx(0.9⩽x⩽1.65) at 941 and 1001 K have been obtained as a function of hydrogen concentration c by measuring resonance frequencies for bending and torsion vibrations of a polycrystalline wire. As c increases, observed E and G increase in the bcc β phase, slightly increase linearly in the β+δ phase, and then decrease in the fcc δ phase. On the basis of a phenomenological free energy in terms of strain components taking account of space group symmetry, two types of Landau expansion of the free energies for the β phase in terms of the strain components which play an important role in the structural phase transition between the β and the δ phases are examined. The observed E and G are assumed to be the same as the second-order coefficients of the free energy for the Bain distortions, which occur at the structural phase transition. The dependence of the third-order coefficients on c permits the expanded free energies to describe the fact that the β phase is more stable than the δ phase at low c.

Technical Note: Effect of explicit M and N-shell atomic transitions on a low-energy x-ray source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watson, Peter G. F., E-mail: peter.watson@mail.mcgill.ca; Seuntjens, Jan

Purpose: In EGSnrc, atomic transitions to and from the M and N-shells are treated in an average way by default. This approach is justified in which the energy difference between explicit and average M and N-shell binding energies is less than 1 keV, and for most applications can be considered negligible. However, for simulations of low energy x-ray sources on thin, high-Z targets, characteristic x-rays can make up a significant portion of the source spectra. As of release V4-2.4.0, EGSnrc has included an option to enable a more complete algorithm of all atomic transitions available in the EADL compilation. Inmore » this paper, the effect of M and N-shell averaging on the calculation of half-value layer (HVL) and relative depth dose (RDD) curve of a 50 kVp intraoperative x-ray tube with a thin gold target was investigated. Methods: A 50 kVp miniature x-ray source with a gold target (The INTRABEAM System, Carl Zeiss, Germany) was modeled with the EGSnrc user code cavity, both with and without M and N-shell averaging. From photon fluence spectra simulations, the source HVLs were determined analytically. The same source model was then used with egs-chamber to calculate RDD curves in water. Results: A 4% increase of HVL was reported when accounting for explicit M and N-shell transitions, and up to a 9% decrease in local relative dose for normalization at 3 mm depth in water. Conclusions: The EGSnrc default of using averaged M and N-shell binding energies has an observable effect on the HVL and RDD of a low energy x-ray source with high-Z target. For accurate modeling of this class of devices, explicit atomic transitions should be included.« less

Effects of the menopausal transition on energy expenditure: a MONET Group Study.

PubMed

Duval, K; Prud'homme, D; Rabasa-Lhoret, R; Strychar, I; Brochu, M; Lavoie, J-M; Doucet, E

2013-04-01

Factors that influence weight gain during the menopausal transition are not fully understood. The purpose of this study was to investigate changes in energy expenditure (EE) across the menopausal transition. In all, 102 premenopausal women (age: 49.9 ± 1.9 years; body mass index: 23.3 ± 2.2 kg/m(2)) were followed for 5 years. Body composition (dual-energy X-ray absorptiometry), physical activity EE (accelerometer), resting EE and thermic effect of food (indirect calorimetry) were measured annually. Total EE decreased significantly over time in postmenopausal women (P<0.05), which was mostly due to a decrease in physical activity EE (P<0.05). Although average resting EE remained stable over time in postmenopausal women, a significant increase, over the 5-year period, was noted in women who were in the menopausal transition by year 5 (P<0.05). Finally, the time spent in moderate physical activity decreased and the time spent in sedentary physical activity increased during the menopausal transition (P<0.05). These results suggest that menopausal transition is accompanied with a decline in EE mainly characterized by a decrease in physical activity EE and a shift to a more sedentary lifestyle.

Femtoscopy as a tool for studying phase transition phenomena at STAR/BES energies in context of femtoscopic analysis at NICA

NASA Astrophysics Data System (ADS)

Wielanek, D.

2017-08-01

Femtoscopy is a tool to study the space-time evolution of hot and dense matter during high energy collision by using two-particle correlations. The femtoscopic and flow measurements at RHIC and LHC energies are well reproduced by the hydrodynamics models that contains equation of state (EoS) with crossover type transition from Quark-Gluon Plasma to hadron gas phase. Similar studies where performed at AGS and SPS accelerators and was performed in Beam Energy Scan (BES) program at Relativistic Heavy Ion Collider for exploring phase diagram of QCD matter. I present the femtoscopic observables calculated for Au-Au collisions at √sNN = 7:7 - 62:4 GeV calculated from viscous hydro + cascade model vHLLE+UrQMD with two types of EoSs - one that correspond to 1st order phase transition (PT) and second that correspond to crossover PT. I also discuss perspectives of femtoscopic measurements at NICA energy scale √sNN = 4 - 11 GeV.1

OSO-8 observations of the impulsive phase of solar flares in the transition-zone and corona

NASA Technical Reports Server (NTRS)

Lites, B. W.; Bruner, E. C., Jr.; Wolfson, C. J.

1981-01-01

Several solar flares were observed from their onset in C IV 1548.2 A and 1-8 A X-rays using instruments on OSO-8. It is found that impulsive brightening in C IV is often accompanied by redshifts, interpreted as downflows, of the order of 80 km/s. The maximum soft X-ray intensity usually arrives several minutes after the maximum C IV intensity. The most energetic C IV event observed shows a small blueshift just before reaching maximum intensity; estimates of the mass flux associated with this upflow through the transition zone are consistent with the increase of mass in the coronal loops as observed in soft X-rays. Finally, it is suggested that the frequent occurrence of violent dynamical processes at the onset of the flare is associated with the initial energy release mechanism.

Negative energy seen by accelerated observers

NASA Astrophysics Data System (ADS)

Ford, L. H.; Roman, Thomas A.

2013-04-01

The sampled negative energy density seen by inertial observers, in arbitrary quantum states is limited by quantum inequalities, which take the form of an inverse relation between the magnitude and duration of the negative energy. The quantum inequalities severely limit the utilization of negative energy to produce gross macroscopic effects, such as violations of the second law of thermodynamics. The restrictions on the sampled energy density along the worldlines of accelerated observers are much weaker than for inertial observers. Here we will illustrate this with several explicit examples. We consider the worldline of a particle undergoing sinusoidal motion in space in the presence of a single mode squeezed vacuum state of the electromagnetic field. We show that it is possible for the integrated energy density along such a worldline to become arbitrarily negative at a constant average rate. Thus the averaged weak energy condition is violated in these examples. This can be the case even when the particle moves at nonrelativistic speeds. We use the Raychaudhuri equation to show that there can be net defocusing of a congruence of these accelerated worldlines. This defocusing is an operational signature of the negative integrated energy density. These results in no way invalidate nor undermine either the validity or utility of the quantum inequalities for inertial observers. In particular, they do not change previous constraints on the production of macroscopic effects with negative energy, e.g., the maintenance of traversable wormholes.

Controlled transition dipole alignment of energy donor and energy acceptor molecules in doped organic crystals, and the effect on intermolecular Förster energy transfer.

PubMed

Wang, Huan; Yue, Bailing; Xie, Zengqi; Gao, Bingrong; Xu, Yuanxiang; Liu, Linlin; Sun, Hongbo; Ma, Yuguang

2013-03-14

The orientation factor κ(2) ranging from 0 to 4, which depends on the relative orientation of the transition dipoles of the energy donor (D) and the energy acceptor (A) in space, is one of the pivotal factors deciding the efficiency and directionality of resonance energy transfer (RET) in a D-A molecular system. In this work, tetracene (Tc) and pentacene (Pc) are successfully doped in a trans-1,4-distyrylbenzene (DSB) crystalline lattice to form definite D-A mutually perpendicular transition dipole orientations. The cross D-A dipole arrangement results in an extremely small orientation factor, which is about two orders smaller than that in the disordered films. The energy transfer properties from the host (DSB) to the guest (Tc/Pc) were investigated in detail by steady-state as well as time-resolved fluorescence spectroscopy. Our experimental research results show that the small value of κ(2) allows less or partial energy transfer from the host (DSB) to the guest (Tc) in a wide range of guest concentration, with the Förster distance of around 1.5 nm. By controlling the doping concentrations in the Tc and Pc doubly doped DSB crystals, we demonstrate, as an example, for the first time the application of the restricted energy transfer by D-A cross transition dipole arrangement for preparation of a large-size, white-emissive organic crystal with the CIE coordinates of (0.36, 0.37) approaching an ideal white light. In contrast, Tc is also doped in an anthracene crystalline lattice to form head-to-tail D-A transition dipole alignment, which is proved to be highly effective to promote the intermolecular energy transfer. In this doped system, the orientation factor is relatively large and the Förster distance is around 7 nm.

Strain controlled ferromagnetic-ferrimagnetic transition and vacancy formation energy of defective graphene.

PubMed

Zhang, Yajun; Sahoo, Mpk; Wang, Jie

2016-09-23

Single vacancy (SV)-induced magnetism in graphene has attracted much attention motivated by its potential in achieving new functionalities. However, a much higher vacancy formation energy limits its direct application in electronic devices and the dependency of spin interaction on the strain is unclear. Here, through first-principles density-functional theory calculations, we investigate the possibility of strain engineering towards lowering vacancy formation energy and inducing new magnetic states in defective graphene. It is found that the SV-graphene undergoes a phase transition from an initial ferromagnetic state to a ferrimagnetic state under a biaxial tensile strain. At the same time, the biaxial tensile strain significantly lowers the vacancy formation energy. The charge density, density of states and band theory successfully identify the origin and underlying physics of the transition. The predicted magnetic phase transition is attributed to the strain driven spin flipping at the C-atoms nearest to the SV-site. The magnetic semiconducting graphene induced by defect and strain engineering suggests an effective way to modulate both spin and electronic degrees of freedom in future spintronic devices.

Energy efficient engine: Turbine transition duct model technology report

NASA Technical Reports Server (NTRS)

Leach, K.; Thurlin, R.

1982-01-01

The Low-Pressure Turbine Transition Duct Model Technology Program was directed toward substantiating the aerodynamic definition of a turbine transition duct for the Energy Efficient Engine. This effort was successful in demonstrating an aerodynamically viable compact duct geometry and the performance benefits associated with a low camber low-pressure turbine inlet guide vane. The transition duct design for the flight propulsion system was tested and the pressure loss goal of 0.7 percent was verified. Also, strut fairing pressure distributions, as well as wall pressure coefficients, were in close agreement with analytical predictions. Duct modifications for the integrated core/low spool were also evaluated. The total pressure loss was 1.59 percent. Although the increase in exit area in this design produced higher wall loadings, reflecting a more aggressive aerodynamic design, pressure profiles showed no evidence of flow separation. Overall, the results acquired have provided pertinent design and diagnostic information for the design of a turbine transition duct for both the flight propulsion system and the integrated core/low spool.

Determination of hyperfine-induced transition rates from observations of a planetary nebula.

PubMed

Brage, Tomas; Judge, Philip G; Proffitt, Charles R

2002-12-31

Observations of the planetary nebula NGC3918 made with the STIS instrument on the Hubble Space Telescope reveal the first unambiguous detection of a hyperfine-induced transition 2s2p 3P(o)(0)-->2s2 1S0 in the berylliumlike emission line spectrum of N IV at 1487.89 A. A nebular model allows us to confirm a transition rate of 4x10(-4) sec(-1)+/-33% for this line. The measurement represents the first independent confirmation of the transition rate of hyperfine-induced lines in low ionization stages, and it provides support for the techniques used to compute these transitions for the determination of very low densities and isotope ratios.

Kinetics of First-Row Transition Metal Cations (V+, Fe+, Co+) with OCS at Thermal Energies.

PubMed

Sweeny, Brendan C; Ard, Shaun G; Shuman, Nicholas S; Viggiano, Albert A

2018-05-03

The temperature-dependent kinetics for reactions of V + , Fe + , and Co + with OCS are measured using a selected ion flow tube apparatus heated to 300-600 K. All three reactions proceed solely by C-S activation at thermal energies, resulting in metal sulfide cation formation. Previously calculated reaction pathways were employed to inform statistical modeling of these reactions for comparison to the data. As surmised previously, all three reactions at thermal energies require spin crossing, with the Fe + reaction crossing once circumventing a prohibitive transition state, before crossing again to form ground state products. The Fe + and Co + reaction efficiencies increase with energy. For the Co + reaction, and to a lesser extent the Fe + reaction, the apparent activation energies are less than the reaction endothermicities, possibly indicating increasing diabatic behavior of the spin crossings with energy. The V + reaction was well modeled assuming an entirely adiabatic spin crossing, such that the resultant avoided crossing behaves similarly to a tight transition state. The subsequent reaction of VS + with OCS producing VS 2 + is also investigated; the rate-limiting transition state energy derived from statistical modeling is poorly reproduced by quantum calculations using a variety of methods, highlighting the large (1-2 eV) uncertainty in calculated energetics of transition-metal containing species.

Evidence for Abnormal H α Variability During Near-transit Observations of HD 189733 b

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cauley, P. Wilson; Redfield, Seth; Jensen, Adam G., E-mail: pcauley@wesleyan.edu

2017-04-01

Changes in levels of stellar activity can mimic absorption signatures in transmission spectra from circumplanetary material. Thus, it is critical to understand the frequency and magnitude of these changes in order to attribute any particular signal to the circumplanetary environment. We present short-cadence, high-resolution out-of-transit H α spectra for the hot Jupiter host HD 189733 in order to establish the frequency and magnitude of intrinsic stellar variations in the H α line core. We find that changes in the line core strength similar to those observed immediately pre- and post-transit in two independent data sets are uncommon. This suggests thatmore » the observed near-transit signatures are either due to absorption of circumplanetary material or they occur preferentially in time, very near planetary transits. In either case, the evidence for abnormal H α variability is strengthened, though the short-cadence out-of-transit data do not argue for circumplanetary absorption versus stellar activity caused by a star–planet interaction. Further out-of-transit monitoring at higher signal-to-noise would be useful to more strictly constrain the frequency of the near-transit changes in the H α line core.« less

Energy levels and radiative rates for transitions in Co XI

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Keenan, F. P.; Msezane, A. Z.

2007-10-01

Aims: In this paper we report calculations for energy levels and radiative rates for transitions in Co xi. Methods: The General purpose Relativistic Atomic Structure Package (grasp) and the Flexible Atomic Code (fac) have been adopted for the calculations of energy levels and radiative rates. Results: Energies for the lowest 287 levels of Co xi, including those among the (1s^22s^22p^6) 3s^23p^5, 3s3p^6, 3s^23p^43d, 3s3p^53d, 3s^23p^33d^2, and 3s^23p^44s configurations, are reported. Additionally, radiative rates and oscillator strengths are reported for all electric dipole (E1) transitions with f ≥ 10-5 among these levels, and similar results for magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions are reported only for those with f≥10-8. Comparisons are made with the available results in the literature, and the accuracy of the present data is assessed. Finally, lifetimes for all excited levels are also listed, although measurements are presently available for only one of these. Tables 1 and 3-6 are only available in electronic form at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsweb.u-strasbg.fr/cgi-bin/qcat?J/A+A/473/995

Public Education and Outreach for Observing Solar Eclipses and Transits

NASA Astrophysics Data System (ADS)

Pasachoff, Jay M.

2015-08-01

The general public is often very interested in observing solar eclipses, with widespread attention from newspapers and other sources often available only days before the events. Recently, the 2012 eclipse's partial phases in Australia and the 2015 eclipse's partial phases throughout Europe as well as western Asia and northern Africa, were widely viewed. The 21 August 2017 eclipse, whose totality will sweep across the Continental United States from northwest to southeast, will have partial phases visible throughout the U.S., Canada, Mexico, Central America, and into South America. The 2019 and 2020 partial phases of total eclipses will be visible throughout South America, and partial phases from annular eclipses will be visible from other parts of the world. The 9 May 2016 transit of Mercury will be best visible from the Western Hemisphere, Europe, and Africa. Many myths and misunderstandings exist about the safety of observing partial phases, and it is our responsibility as astronomers and educators to transmit accurate information and to attempt the widest possible distribution of such information. The Working Group on Public Education at Eclipses and Transits, formerly of Commission 46 on Education and Development and now of New Commission 11, tries to coordinate the distribution of information. In collaboration with the Solar Division's Working Group on Solar Eclipses, their website at http://eclipses.info is a one-stop shop for accurate information on how to observe eclipses, why it is interesting to do so, where they will be visible (with links to online maps and weather statistics), and how encouraging students to observe eclipses can be inspirational for them, perhaps even leading them to realize that the Universe can be understood and therefore renewing the strength of their studies. Links to information about transits of Mercury and Venus are also included.

Energy balance in the solar transition region. III - Helium emission in hydrostatic, constant-abundance models with diffusion

NASA Technical Reports Server (NTRS)

Fontenla, J. M.; Avrett, E. H.; Loeser, R.

1993-01-01

In our previous papers we described the mathematical formalism and the computed results for energy-balance hydrostatic models of the solar transition region. In this paper we discuss in some detail the limitations of the hydrostatic and one-dimensional assumptions used. Then we analyze the determination of helium emission when diffusion is included. We use transport coefficients estimated from kinetic theory to determine the helium departures from local ionization balance. We calculate the helium spectra for each of our models and evaluate the role of helium in the energy transport. Also, we investigate the effects of coronal illumination on the structure of the transition region and upper chromosphere, and show how coronal illumination affects various EUV lines and the He I 10830 A line. Comparing with both absolute intensities and detailed line profiles, we show that our models are consistent not only with the observed hydrogen spectra but also with the available helium spectra.

Observation and modeling of deflagration-to-detonation transition (DDT) in low-density HMX

NASA Astrophysics Data System (ADS)

Tringe, Joseph W.; Vandersall, Kevin S.; Reaugh, John E.; Levie, Harold W.; Henson, Bryan F.; Smilowitz, Laura B.; Parker, Gary R.

2017-01-01

We employ simultaneous flash x-ray radiography and streak imaging, together with a multi-phase finite element model, to understand deflagration-to-detonation transition (DDT) phenomena in low-density (˜1.2 gm/cm3) powder of the explosive cyclotetramethylene-tetranitramine (HMX). HMX powder was lightly hand-tamped in a 12.7 mm diameter column, relatively lightly-confined in an optically-transparent polycarbonate cylinder with wall thickness 25.4 mm. We observe apparent compaction of the powder in advance of the detonation transition by the motion of small steel spheres pre-emplaced throughout the length of explosive. High-speed imaging along the explosive cylinder length provides a more temporally continuous record of the transition that is correlated with the high-resolution x-ray image record. Preliminary simulation of these experiments with the HERMES model implemented in the ALE3D code enables improved understanding of the explosive particle burning, compaction and detonation phenomena which are implied by the observed reaction rate and transition location within the cylinder.

Calculations for energies, transition rates, and lifetimes in Al-like Kr XXIV

NASA Astrophysics Data System (ADS)

Zhang, C. Y.; Si, R.; Liu, Y. W.; Yao, K.; Wang, K.; Guo, X. L.; Li, S.; Chen, C. Y.

2018-05-01

Using the second-order many-body perturbation theory (MBPT) method, a complete and accurate data set of excitation energies, lifetimes, wavelengths, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) line strengths, transition rates, and oscillator strengths for the lowest 880 levels arising from the 3l3 (0 ≤ l ≤ 2), 3l2 4l‧ (0 ≤ l ≤ 2, 0 ≤l‧ ≤ 3), 3s2 5 l (0 ≤ l ≤ 4), 3p2 5 l (0 ≤ l ≤ 1), and 3s3p5 l (0 ≤ l ≤ 4) configurations in Al-like Kr XXIV is provided. Comparisons are made with available experimental and theoretical results. Our calculated energies are expected to be accurate enough to facilitate identifications of observed lines involving the n = 4 , 5 levels. The complete data set is also useful for modeling and diagnosing fusion plasma.

IBS and Potential Luminosity Improvement for RHIC Operation Below Transition Energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fedotov,A.

There is a strong interest in low-energy RHIC operations in the single-beam total energy range of 2.5-25 GeV/nucleon [1-3]. Collisions in this energy range, much of which is below nominal RHIC injection energy, will help to answer one of the key questions in the field of QeD about the existence and location of a critical point on the QCD phase diagram [4]. There have been several short test runs during 2006-2008 RHIC operations to evaluate RHIC operational challenges at these low energies [5]. Beam lifetimes observed during the test runs were limited by machine nonlinearities. This performance limit can bemore » improved with sufficient machine tuning. The next luminosity limitation comes from transverse and longitudinal Intra-beam Scattering (IBS), and ultimately from the space-charge limit. Detailed discussion of limiting beam dynamics effects and possible luminosity improvement with electron cooling can be found in Refs. [6-8]. For low-energy RHIC operation, particle losses from the RF bucket are of particular concern since the longitudinal beam size is comparable to the existing RF bucket at low energies. However, operation below transition energy allows us to exploit an Intra-beam Scattering (IBS) feature that drives the transverse and longitudinal beam temperatures towards equilibrium by minimizing the longitudinal diffusion rate using a high RF voltage. Simulation studies were performed with the goal to understand whether one can use this feature of IBS to improve luminosity of RHIC collider at low-energies. This Note presents results of simulations which show that additional luminosity improvement for low-energy RHIC project may be possible with high RF voltage from a 56 MHz superconducting RF cavity that is presently under development for RHIC.« less

Temperature-Controlled High-Speed AFM: Real-Time Observation of Ripple Phase Transitions.

PubMed

Takahashi, Hirohide; Miyagi, Atsushi; Redondo-Morata, Lorena; Scheuring, Simon

2016-11-01

With nanometer lateral and Angstrom vertical resolution, atomic force microscopy (AFM) has contributed unique data improving the understanding of lipid bilayers. Lipid bilayers are found in several different temperature-dependent states, termed phases; the main phases are solid and fluid phases. The transition temperature between solid and fluid phases is lipid composition specific. Under certain conditions some lipid bilayers adopt a so-called ripple phase, a structure where solid and fluid phase domains alternate with constant periodicity. Because of its narrow regime of existence and heterogeneity ripple phase and its transition dynamics remain poorly understood. Here, a temperature control device to high-speed atomic force microscopy (HS-AFM) to observe dynamics of phase transition from ripple phase to fluid phase reversibly in real time is developed and integrated. Based on HS-AFM imaging, the phase transition processes from ripple phase to fluid phase and from ripple phase to metastable ripple phase to fluid phase could be reversibly, phenomenologically, and quantitatively studied. The results here show phase transition hysteresis in fast cooling and heating processes, while both melting and condensation occur at 24.15 °C in quasi-steady state situation. A second metastable ripple phase with larger periodicity is formed at the ripple phase to fluid phase transition when the buffer contains Ca 2+ . The presented temperature-controlled HS-AFM is a new unique experimental system to observe dynamics of temperature-sensitive processes at the nanoscopic level. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High current density ion beam obtained by a transition to a highly focused state in extremely low-energy region.

PubMed

Hirano, Y; Kiyama, S; Fujiwara, Y; Koguchi, H; Sakakita, H

2015-11-01

A high current density (≈3 mA/cm(2)) hydrogen ion beam source operating in an extremely low-energy region (E(ib) ≈ 150-200 eV) has been realized by using a transition to a highly focused state, where the beam is extracted from the ion source chamber through three concave electrodes with nominal focal lengths of ≈350 mm. The transition occurs when the beam energy exceeds a threshold value between 145 and 170 eV. Low-level hysteresis is observed in the transition when E(ib) is being reduced. The radial profiles of the ion beam current density and the low temperature ion current density can be obtained separately using a Faraday cup with a grid in front. The measured profiles confirm that more than a half of the extracted beam ions reaches the target plate with a good focusing profile with a full width at half maximum of ≈3 cm. Estimation of the particle balances in beam ions, the slow ions, and the electrons indicates the possibility that the secondary electron emission from the target plate and electron impact ionization of hydrogen may play roles as particle sources in this extremely low-energy beam after the compensation of beam ion space charge.

Emulating JWST Exoplanet Transit Observations in a Testbed laboratory experiment

NASA Astrophysics Data System (ADS)

Touli, D.; Beichman, C. A.; Vasisht, G.; Smith, R.; Krist, J. E.

2014-12-01

The transit technique is used for the detection and characterization of exoplanets. The combination of transit and radial velocity (RV) measurements gives information about a planet's radius and mass, respectively, leading to an estimate of the planet's density (Borucki et al. 2011) and therefore to its composition and evolutionary history. Transit spectroscopy can provide information on atmospheric composition and structure (Fortney et al. 2013). Spectroscopic observations of individual planets have revealed atomic and molecular species such as H2O, CO2 and CH4 in atmospheres of planets orbiting bright stars, e.g. Deming et al. (2013). The transit observations require extremely precise photometry. For instance, Jupiter transit results to a 1% brightness decrease of a solar type star while the Earth causes only a 0.0084% decrease (84 ppm). Spectroscopic measurements require still greater precision <30ppm. The Precision Projector Laboratory (PPL) is a collaboration between the Jet Propulsion Laboratory (JPL) and California Institute of Technology (Caltech) to characterize and validate detectors through emulation of science images. At PPL we have developed a testbed to project simulated spectra and other images onto a HgCdTe array in order to assess precision photometry for transits, weak lensing etc. for Explorer concepts like JWST, WFIRST, EUCLID. In our controlled laboratory experiment, the goal is to demonstrate ability to extract weak transit spectra as expected for NIRCam, NIRIS and NIRSpec. Two lamps of variable intensity, along with spectral line and photometric simulation masks emulate the signals from a star-only, from a planet-only and finally, from a combination of a planet + star. Three masks have been used to simulate spectra in monochromatic light. These masks, which are fabricated at JPL, have a length of 1000 pixels and widths of 2 pixels, 10 pixels and 1 pixel to correspond respectively to the noted above JWST instruments. From many-hour long

Magnetic response of gelatin ferrogels across the sol-gel transition: the influence of high energy crosslinking on thermal stability.

PubMed

Wisotzki, Emilia I; Eberbeck, Dietmar; Kratz, Harald; Mayr, Stefan G

2016-05-07

As emerging responsive materials, ferrogels have demonstrated significant potential for applications in areas of engineering to regenerative medicine. Promising techniques to study the behavior of magnetic nanoparticles (MNPs) in such matrices include magnetic particle spectroscopy (MPS) and magnetorelaxometry (MRX). This work investigated the magnetic response of gelatin-based ferrogels with increasing temperatures, before and after high energy crosslinking. The particle response was characterized by the nonlinear magnetization using MPS and quasistatic magnetization measurements as well as MRX to discriminate between Néel and Brownian relaxation mechanisms. The effective magnetic response of MNPs in gelatin was suppressed, indicating that the magnetization of the ferrogels was strongly influenced by competing dipole-dipole interactions. Significant changes in the magnetic behavior were observed across the gelatin sol-gel transition, as influenced by the matrix viscosity. These relaxation processes were modeled by Fourier transformation of the Langevin function, combined with a Debye term for the nonlinear magnetic response, for single core MNPs embedded in matrices of changing viscosities. Using high energy electron irradiation as a crosslinking method, modified ferrogels exhibited thermal stability on a range of timescales. However, MRX relaxation times revealed a slight softening around the gelatin sol-gel transition felt by the smallest particles, demonstrating a high sensitivity to observe local changes in the viscoelasticity. Overall, MPS and MRX functioned as non-contact methods to observe changes in the nanorheology around the native sol-gel transition and in crosslinked ferrogels, as well as provided an understanding of how MNPs were integrated into and influenced by the surrounding matrix.

Puckering transitions in cyclohexane: Revisited

NASA Astrophysics Data System (ADS)

Kang, Young Kee; Park, Hae Sook

2018-06-01

The interconversion pathways along the puckering transitions in cyclohexane were explored on the two-dimensional projection of the Cremer-Pople sphere using DFT methods and the CCSD(T), MP2, and dispersion-corrected DFT methods with various basis sets were assessed for the relative energies of local minima and transition states for the representative puckering transition pathways. The ωB97X-D/cc-pVTZ and ωB97X-D/def2-QZVP levels of theory well reproduced the relative energies with RMSD = 0.13 kcal/mol against the CCSD(T)/CBS-limit energies. The calculated activation parameters for chair to twist-boat interconversion of cyclohexane at the ωB97X-D/cc-pVTZ//(PCM) M06-2X/6-31+G(d) level of theory were consistent with the observed values.

MRCI study on transition dipole moments and transition probabilities of 18 low-lying states of CP+ cation

NASA Astrophysics Data System (ADS)

Zhou, Dan; Wang, Kedong; Li, Xue

2018-07-01

This study calculates the potential energy curves of 18 Λ-S and 50 Ω states, which arise from the C(3Pg) + P+(3Pg) dissociation channel of the CP+ cation. The calculations are made using the CASSCF method, followed by the icMRCI approach with the Davidson correction. Core-valence correlation and scalar relativistic corrections, as well as extrapolation to the complete basis set limit are included. The transition dipole moments are computed for 25 pairs of Λ-S states. The spin-orbit coupling effect on the spectroscopic and vibrational properties is evaluated. The Franck-Condon factors and Einstein coefficients of emissions are calculated. Radiative lifetimes are obtained for several vibrational levels of some states. The transitions are evaluated and spectroscopic measurement schemes for observing these Λ-S states are proposed. The potential energy curves, spectroscopic constants, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very accurate and reliable. Because no experimental observations are currently available, the results obtained here can be used as guidelines for the detection of these states in appropriate spectroscopy experiments, in particular for observations in stellar atmospheres and in interstellar space.

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-06-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

Well-Known Distinctive Signatures of Quantum Phase Transition in Shape Coexistence Configuration of Nuclei

NASA Astrophysics Data System (ADS)

Majarshin, A. Jalili; Sabri, H.

2018-03-01

It is interesting that a change of nuclear shape may be described in terms of a phase transition. This paper studies the quantum phase transition of the U(5) to SO(6) in the interacting boson model (IBM) on the finite number N of bosons. This paper explores the well-known distinctive signatures of transition from spherical vibrational to γ-soft shape phase in the IBM with the variation of a control parameter. Quantum phase transitions occur as a result of properties of ground and excited states levels. We apply an affine \\widehat {SU(1,1)} approach to numerically solve non-linear Bethe Ansatz equation and point out what observables are particularly sensitive to the transition. The main aim of this work is to describe the most prominent observables of QPT by using IBM in shape coexistence configuration. We calculate energies of excited states and signatures of QPT as energy surface, energy ratio, energy differences, quadrupole electric transition rates and expectation values of boson number operators and show their behavior in QPT. These observables are calculated and examined for 98 - 102Mo isotopes.

Three-quasiparticle isomer in 173Ta and the excitation energy dependence of K -forbidden transition rates

NASA Astrophysics Data System (ADS)

Wood, R. T.; Walker, P. M.; Lane, G. J.; Carroll, R. J.; Cullen, D. M.; Dracoulis, G. D.; Hota, S. S.; Kibédi, T.; Palalani, N.; Podolyák, Zs.; Reed, M. W.; Schiffl, K.; Wright, A. M.

2017-05-01

Using the 168Er(10B,5 n ) reaction at a beam energy of 68 MeV, new data have been obtained for the population and decay of a T1 /2=148 ns, Kπ=21 /2- three-quasiparticle isomer at 1717 keV in 173Ta. Revised decay energies and intensities have been determined, together with newly observed members of a rotational band associated with the isomer. By comparison with other isomers in the A ≈180 deformed region, the 173Ta isomer properties help to specify the key degrees of freedom that determine K -forbidden transition rates. In particular, when all three quasiparticles are of the same nucleon type, there is a strong dependence of the E 2 reduced hindrance factor on the isomer excitation energy.

Giant Transiting Planets Observations GITPO

NASA Astrophysics Data System (ADS)

Afonso, C.; Henning, Th.; Weldrake, D.; Mazeh, T.; Dreizler, S.

The search for extrasolar planets is nowadays one of the most promising science drivers in Astronomy. The radial velocity technique proved to be successful in planet hunting, harvesting more than a hundred planets to date. In these last recent years, the transit method has come to fruition, with the detection of seven Jupiter-mass extrasolar transiting planets in close-in orbits ({ AU). Currently, the radius of planets can only be determined from transiting planets, representing the principal motivation and strength of this technique. The MPIA is presently building the Large Area Imager (LAIWO) for the 1m telescope in the Wise Observatory, Israel. LAIWO will have a field of view of one square degree. An intensive search for extra-solar planets will be performed with the 1m Wise telescope, together with the 1.2m MONET telescope in Texas. We will monitor three fields at a given time during three years and more than 200 nights per year. We expect several dozens of extra-solar planets.

Phase Transition to Exact Susy

NASA Astrophysics Data System (ADS)

Clavelli, L.

2007-04-01

The anthropic principle is based on the observation that, within narrow bounds, the laws of physics are such as to have allowed the evolution of life. The string theoretic approach to understanding this observation is based on the expectation that the effective potential has an enormous number of local minima with different particle masses and perhaps totally different fundamental couplings and space time topology. The vast majority of these alternative universes are totally inhospitable to life, having, for example, vacuum energies near the natural (Planck) scale. The statistics, however, are assumed to be such that a few of these local minima (and not more) have a low enough vacuum energy and suitable other properties to support life. In the inflationary era, the "multiverse" made successive transitions between the available minima until arriving at our current state of low vacuum energy. String theory, however, also suggests that the absolute minimum of the effective potential is exactly supersymmetric. Questions then arise as to why the inflationary era did not end by a transition to one of these, when will the universe make the phase transition to the exactly supersymmetric ground state, and what will be the properties of this final state.

Synthetic IRIS spectra of the solar transition region: Effect of high-energy tails

NASA Astrophysics Data System (ADS)

Dzifčáková, E.; Vocks, C.; Dudík, J.

2017-06-01

Aims: The solar transition region satisfies the conditions for presence of non-Maxwellian electron energy distributions with high-energy tails at energies corresponding to the ionization potentials of many ions emitting in the extreme-ultraviolet and ultraviolet portions of the spectrum. Methods: We calculate the synthetic Si iv, O iv, and S iv spectra in the far ultraviolet channel of the Interface Region Imaging Spectrograph (IRIS). Ionization, recombination, and excitation rates are obtained by integration of the cross-sections or their approximations over the model electron distributions considering particle propagation from the hotter corona. Results: The ionization rates are significantly affected by the presence of high-energy tails. This leads to the peaks of the relative abundance of individual ions to be broadened with pronounced low-temperature shoulders. As a result, the contribution functions of individual lines observable by IRIS also exhibit low-temperature shoulders, or their peaks are shifted to temperatures an order of magnitude lower than for the Maxwellian distribution. The integrated emergent spectra can show enhancements of Si iv compared to O iv by more than a factor of two. Conclusions: The high-energy particles can have significant impact on the emergent spectra and their presence needs to be considered even in situations without strong local acceleration.

Global Infrared Observations of Roughness Induced Transition on the Space Shuttle Orbiter

NASA Technical Reports Server (NTRS)

Horvath, Thomas J.; Zalameda, Joseph N.; Wood, William A.; Berry, Scott A.; Schwartz, Richard J.; Dantowitz, Ronald F.; Spisz, Thomas S.; Taylor, Jeff C.

2012-01-01

High resolution infrared observations made from a mobile ground based optical system captured the laminar-to-turbulent boundary layer transition process as it occurred during Space Shuttle Endeavour's return to earth following its final mission in 2011. The STS-134 imagery was part of a larger effort to demonstrate an emerging and reliable non-intrusive global thermal measurement capability and to complement a series of boundary layer transition flight experiments that were flown on the Shuttle. The STS-134 observations are believed to be the first time that the development and movement of a hypersonic boundary layer transition front has been witnessed in flight over the entire vehicle surface and in particular, at unprecedented spatial resolution. Additionally, benchmark surface temperature maps of the Orbiter lower surface collected over multiple flights and spanning a Mach range of 18 to 6 are now available and represent an opportunity for collaborative comparison with computational techniques focused on hypersonic transition and turbulence modeling. The synergy of the global temperature maps with the companion in-situ thermocouple measurements serve as an example of the effective leveraging of resources to achieve a common goal of advancing our understanding of the complex nature of high Mach number transition. It is shown that quantitative imaging can open the door to a multitude of national and international opportunities for partnership associated with flight-testing and subsequent validation of numerical simulation techniques. The quantitative imaging applications highlighted in this paper offer unique and complementary flight measurement alternatives and suggest collaborative instrumentation opportunities to advance the state of the art in transition prediction and maximize the return on investment in terms of developmental flight tests for future vehicle designs.

Absorbing phase transitions in deterministic fixed-energy sandpile models

NASA Astrophysics Data System (ADS)

Park, Su-Chan

2018-03-01

We investigate the origin of the difference, which was noticed by Fey et al. [Phys. Rev. Lett. 104, 145703 (2010), 10.1103/PhysRevLett.104.145703], between the steady state density of an Abelian sandpile model (ASM) and the transition point of its corresponding deterministic fixed-energy sandpile model (DFES). Being deterministic, the configuration space of a DFES can be divided into two disjoint classes such that every configuration in one class should evolve into one of absorbing states, whereas no configurations in the other class can reach an absorbing state. Since the two classes are separated in terms of toppling dynamics, the system can be made to exhibit an absorbing phase transition (APT) at various points that depend on the initial probability distribution of the configurations. Furthermore, we show that in general the transition point also depends on whether an infinite-size limit is taken before or after the infinite-time limit. To demonstrate, we numerically study the two-dimensional DFES with Bak-Tang-Wiesenfeld toppling rule (BTW-FES). We confirm that there are indeed many thresholds. Nonetheless, the critical phenomena at various transition points are found to be universal. We furthermore discuss a microscopic absorbing phase transition, or a so-called spreading dynamics, of the BTW-FES, to find that the phase transition in this setting is related to the dynamical isotropic percolation process rather than self-organized criticality. In particular, we argue that choosing recurrent configurations of the corresponding ASM as an initial configuration does not allow for a nontrivial APT in the DFES.

Absorbing phase transitions in deterministic fixed-energy sandpile models.

PubMed

Park, Su-Chan

2018-03-01

We investigate the origin of the difference, which was noticed by Fey et al. [Phys. Rev. Lett. 104, 145703 (2010)PRLTAO0031-900710.1103/PhysRevLett.104.145703], between the steady state density of an Abelian sandpile model (ASM) and the transition point of its corresponding deterministic fixed-energy sandpile model (DFES). Being deterministic, the configuration space of a DFES can be divided into two disjoint classes such that every configuration in one class should evolve into one of absorbing states, whereas no configurations in the other class can reach an absorbing state. Since the two classes are separated in terms of toppling dynamics, the system can be made to exhibit an absorbing phase transition (APT) at various points that depend on the initial probability distribution of the configurations. Furthermore, we show that in general the transition point also depends on whether an infinite-size limit is taken before or after the infinite-time limit. To demonstrate, we numerically study the two-dimensional DFES with Bak-Tang-Wiesenfeld toppling rule (BTW-FES). We confirm that there are indeed many thresholds. Nonetheless, the critical phenomena at various transition points are found to be universal. We furthermore discuss a microscopic absorbing phase transition, or a so-called spreading dynamics, of the BTW-FES, to find that the phase transition in this setting is related to the dynamical isotropic percolation process rather than self-organized criticality. In particular, we argue that choosing recurrent configurations of the corresponding ASM as an initial configuration does not allow for a nontrivial APT in the DFES.

Pressure dependence of transverse acoustic phonon energy in ferropericlase across the spin transition.

PubMed

Fukui, Hiroshi; Baron, Alfred Q R; Ishikawa, Daisuke; Uchiyama, Hiroshi; Ohishi, Yasuo; Tsuchiya, Taku; Kobayashi, Hisao; Matsuzaki, Takuya; Yoshino, Takashi; Katsura, Tomoo

2017-06-21

We investigated transverse acoustic (TA) phonons in iron-bearing magnesium oxide (ferropericlase) up to 56 GPa using inelastic x-ray scattering (IXS). The results show that the energy of the TA phonon far from the Brillouin zone center suddenly increases with increasing pressure above the spin transition pressure of ferropericlase. Ab initio calculations revealed that the TA phonon energy far from the Brillouin zone center is higher in the low-spin state than in the high spin state; that the TA phonon energy depend weakly on pressure; and that the energy gap between the TA and the lowest-energy-optic phonons is much narrower in the low-spin state than in the high-spin state. This allows us to conclude that the anomalous behavior of the TA mode in the present experiments is the result of gap narrowing due to the spin transition and explains contradictory results in previous experimental studies.

Effects of Low-Energy Excitations on Spectral Properties at Higher Binding Energy: The Metal-Insulator Transition of VO2

NASA Astrophysics Data System (ADS)

Gatti, Matteo; Panaccione, Giancarlo; Reining, Lucia

2015-03-01

The effects of electron interaction on spectral properties can be understood in terms of coupling between excitations. In transition-metal oxides, the spectral function close to the Fermi level and low-energy excitations between d states have attracted particular attention. In this work we focus on photoemission spectra of vanadium dioxide over a wide (10 eV) range of binding energies. We show that there are clear signatures of the metal-insulator transition over the whole range due to a cross coupling of the delocalized s and p states with low-energy excitations between the localized d states. This coupling can be understood by advanced calculations based on many-body perturbation theory in the G W approximation. We also advocate the fact that tuning the photon energy up to the hard-x-ray range can help to distinguish fingerprints of correlation from pure band-structure effects.

Efficient Geometry Minimization and Transition Structure Optimization Using Interpolated Potential Energy Surfaces and Iteratively Updated Hessians.

PubMed

Zheng, Jingjing; Frisch, Michael J

2017-12-12

An efficient geometry optimization algorithm based on interpolated potential energy surfaces with iteratively updated Hessians is presented in this work. At each step of geometry optimization (including both minimization and transition structure search), an interpolated potential energy surface is properly constructed by using the previously calculated information (energies, gradients, and Hessians/updated Hessians), and Hessians of the two latest geometries are updated in an iterative manner. The optimized minimum or transition structure on the interpolated surface is used for the starting geometry of the next geometry optimization step. The cost of searching the minimum or transition structure on the interpolated surface and iteratively updating Hessians is usually negligible compared with most electronic structure single gradient calculations. These interpolated potential energy surfaces are often better representations of the true potential energy surface in a broader range than a local quadratic approximation that is usually used in most geometry optimization algorithms. Tests on a series of large and floppy molecules and transition structures both in gas phase and in solutions show that the new algorithm can significantly improve the optimization efficiency by using the iteratively updated Hessians and optimizations on interpolated surfaces.

Observation of the 1S-2S transition in trapped antihydrogen.

PubMed

Ahmadi, M; Alves, B X R; Baker, C J; Bertsche, W; Butler, E; Capra, A; Carruth, C; Cesar, C L; Charlton, M; Cohen, S; Collister, R; Eriksson, S; Evans, A; Evetts, N; Fajans, J; Friesen, T; Fujiwara, M C; Gill, D R; Gutierrez, A; Hangst, J S; Hardy, W N; Hayden, M E; Isaac, C A; Ishida, A; Johnson, M A; Jones, S A; Jonsell, S; Kurchaninov, L; Madsen, N; Mathers, M; Maxwell, D; McKenna, J T K; Menary, S; Michan, J M; Momose, T; Munich, J J; Nolan, P; Olchanski, K; Olin, A; Pusa, P; Rasmussen, C Ø; Robicheaux, F; Sacramento, R L; Sameed, M; Sarid, E; Silveira, D M; Stracka, S; Stutter, G; So, C; Tharp, T D; Thompson, J E; Thompson, R I; van der Werf, D P; Wurtele, J S

2017-01-26

The spectrum of the hydrogen atom has played a central part in fundamental physics over the past 200 years. Historical examples of its importance include the wavelength measurements of absorption lines in the solar spectrum by Fraunhofer, the identification of transition lines by Balmer, Lyman and others, the empirical description of allowed wavelengths by Rydberg, the quantum model of Bohr, the capability of quantum electrodynamics to precisely predict transition frequencies, and modern measurements of the 1S-2S transition by Hänsch to a precision of a few parts in 10 15 . Recent technological advances have allowed us to focus on antihydrogen-the antimatter equivalent of hydrogen. The Standard Model predicts that there should have been equal amounts of matter and antimatter in the primordial Universe after the Big Bang, but today's Universe is observed to consist almost entirely of ordinary matter. This motivates the study of antimatter, to see if there is a small asymmetry in the laws of physics that govern the two types of matter. In particular, the CPT (charge conjugation, parity reversal and time reversal) theorem, a cornerstone of the Standard Model, requires that hydrogen and antihydrogen have the same spectrum. Here we report the observation of the 1S-2S transition in magnetically trapped atoms of antihydrogen. We determine that the frequency of the transition, which is driven by two photons from a laser at 243 nanometres, is consistent with that expected for hydrogen in the same environment. This laser excitation of a quantum state of an atom of antimatter represents the most precise measurement performed on an anti-atom. Our result is consistent with CPT invariance at a relative precision of about 2 × 10 -10 .

Observation of the 1S-2S transition in trapped antihydrogen

NASA Astrophysics Data System (ADS)

Ahmadi, M.; Alves, B. X. R.; Baker, C. J.; Bertsche, W.; Butler, E.; Capra, A.; Carruth, C.; Cesar, C. L.; Charlton, M.; Cohen, S.; Collister, R.; Eriksson, S.; Evans, A.; Evetts, N.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Gutierrez, A.; Hangst, J. S.; Hardy, W. N.; Hayden, M. E.; Isaac, C. A.; Ishida, A.; Johnson, M. A.; Jones, S. A.; Jonsell, S.; Kurchaninov, L.; Madsen, N.; Mathers, M.; Maxwell, D.; McKenna, J. T. K.; Menary, S.; Michan, J. M.; Momose, T.; Munich, J. J.; Nolan, P.; Olchanski, K.; Olin, A.; Pusa, P.; Rasmussen, C. Ø.; Robicheaux, F.; Sacramento, R. L.; Sameed, M.; Sarid, E.; Silveira, D. M.; Stracka, S.; Stutter, G.; So, C.; Tharp, T. D.; Thompson, J. E.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.

2017-02-01

The spectrum of the hydrogen atom has played a central part in fundamental physics over the past 200 years. Historical examples of its importance include the wavelength measurements of absorption lines in the solar spectrum by Fraunhofer, the identification of transition lines by Balmer, Lyman and others, the empirical description of allowed wavelengths by Rydberg, the quantum model of Bohr, the capability of quantum electrodynamics to precisely predict transition frequencies, and modern measurements of the 1S-2S transition by Hänsch to a precision of a few parts in 1015. Recent technological advances have allowed us to focus on antihydrogen—the antimatter equivalent of hydrogen. The Standard Model predicts that there should have been equal amounts of matter and antimatter in the primordial Universe after the Big Bang, but today’s Universe is observed to consist almost entirely of ordinary matter. This motivates the study of antimatter, to see if there is a small asymmetry in the laws of physics that govern the two types of matter. In particular, the CPT (charge conjugation, parity reversal and time reversal) theorem, a cornerstone of the Standard Model, requires that hydrogen and antihydrogen have the same spectrum. Here we report the observation of the 1S-2S transition in magnetically trapped atoms of antihydrogen. We determine that the frequency of the transition, which is driven by two photons from a laser at 243 nanometres, is consistent with that expected for hydrogen in the same environment. This laser excitation of a quantum state of an atom of antimatter represents the most precise measurement performed on an anti-atom. Our result is consistent with CPT invariance at a relative precision of about 2 × 10-10.

Energy harvesting from localized dynamic transitions in post-buckled elastic beams under quasi-static loading

NASA Astrophysics Data System (ADS)

Borchani, Wassim

The deployability of structural health monitoring self-powered sensors relies on their capability to harvest energy from signals being monitored. Many of the signals required to assess the structure condition are quasi-static events which limits the levels of power that can be extracted. Several vibration-based techniques have been proposed to increase the transferred level of power and broaden the harvester operating bandwidth. However, these techniques require vibration input excitations at frequencies higher than dominant structural response frequencies which makes them inefficient and not suitable for ambient quasi-static excitations. This research proposes a novel sensing and energy harvesting technique at low frequencies using mechanical energy concentrators and triggers. These mechanisms consist of axially-loaded bilaterally-constrained beams with attached piezoelectric energy harvesters. When the quasi-static axial load reaches a certain mechanical threshold, a sudden snap-through mode-switching occurs. These transitions excite the attached piezoelectric scavengers with high-rate input accelerations, generating then electric power. The main objectives are to understand and model the post-buckling behavior of bilaterally-constrained beams, control it by tailoring geometry and material properties of the buckled elements or stacking them into system assemblies, and finally characterize the energy harvesting and sensing capability of the system under quasi-static excitations. The fundamental principle relies on the following concept. Under axial load, a straight slender beam buckles in the first buckling mode. The increased transverse deformations from a buckled shape lead to contact interaction with the lateral boundaries. The contact interaction generates transverse forces that induce the development of higher order buckling configurations. Transitions between the buckled configurations occur not only during loading, but also unloading. In this work, the post

Superconducting transition detectors for low-energy gamma-ray astrophysics

NASA Astrophysics Data System (ADS)

Kurfess, J. D.; Johnson, W. N.; Fritz, G. G.; Strickman, M. S.; Kinzer, R. L.; Jung, G.; Drukier, A. K.; Chmielowski, M.

1990-08-01

A program to investigate superconducting devices such as STDs for use in high-resolution Compton telescopes and coded-aperture detectors is presented. For higher energy applications, techniques are investigated with potential for scaling to large detectors, while also providing excellent energy and positional resolution. STDs are discussed, utilizing a uniform array of spherical granules tens of microns in diameter. The typical temperature-magnetic field phase for a low-temperature superconductor, the signal produced by the superconducting-normal transition in the 32-m diameter Sn granule, and the temperature history of an STD granule following heating by an ionizing particle are illustrated.

Giant Transiting Planets Observations - GITPO

NASA Astrophysics Data System (ADS)

Afonso, C.

2006-08-01

The search for extrasolar planets is nowadays one of the most promising science drivers in Astronomy. The radial velocity technique proved to be successful in planet hunting, harvesting more than a hundred planets to date. In these last years, the transit method has come to fruition, with the detection of seven Jupiter-mass extrasolar transiting planets in close-in orbits (< 0.05 AU). Currently, the radius of planets can only be determined from transiting planets, representing the principal motivation and strength of this technique. The MPIA is presently building the Large Area Imager (LAIWO) for the 1m telescope in the Wise Observatory, Israel. LAIWO will have a field of view of one square degree. An intensive search for extra-solar planets will be performed with the 1m Wise telecope, together with the 1.2m MONET telescope in Texas. We will monitor three fields at a given time during three years and more than 200 nights per year. We expect several dozens of extra-solar planets.

Modeling and control of distributed energy systems during transition between grid connected and standalone modes

NASA Astrophysics Data System (ADS)

Arafat, Md Nayeem

Distributed generation systems (DGs) have been penetrating into our energy networks with the advancement in the renewable energy sources and energy storage elements. These systems can operate in synchronism with the utility grid referred to as the grid connected (GC) mode of operation, or work independently, referred to as the standalone (SA) mode of operation. There is a need to ensure continuous power flow during transition between GC and SA modes, referred to as the transition mode, in operating DGs. In this dissertation, efficient and effective transition control algorithms are developed for DGs operating either independently or collectively with other units. Three techniques are proposed in this dissertation to manage the proper transition operations. In the first technique, a new control algorithm is proposed for an independent DG which can operate in SA and GC modes. The proposed transition control algorithm ensures low total harmonic distortion (THD) and less voltage fluctuation during mode transitions compared to the other techniques. In the second technique, a transition control is suggested for a collective of DGs operating in a microgrid system architecture to improve the reliability of the system, reduce the cost, and provide better performance. In this technique, one of the DGs in a microgrid system, referred to as a dispatch unit , takes the additional responsibility of mode transitioning to ensure smooth transition and supply/demand balance in the microgrid. In the third technique, an alternative transition technique is proposed through hybridizing the current and droop controllers. The proposed hybrid transition control technique has higher reliability compared to the dispatch unit concept. During the GC mode, the proposed hybrid controller uses current control. During the SA mode, the hybrid controller uses droop control. During the transition mode, both of the controllers participate in formulating the inverter output voltage but with different

Burning to Detonation Transition in Porous Beds of a High Energy Propellant

DTIC Science & Technology

1979-11-01

deflagration to detonation transition (DDT) behavior of porous charges of a high-energy propellant (VL-U) has been stualed at both high and low...transition (DDT) behavior of porous charges of a high-eneryy propellant (VLU) has been studied at both high confinement (steel tube) and low confinement...plastic tube). The physical nature of thet propellant ised to construct the porous beds was varied: shredded, powdered CI ,-: and cuboid materials were

Theoretical studies of the transition state structures and free energy barriers for base-catalyzed hydrolysis of amides

PubMed Central

Xiong, Ying; Zhan, Chang-Guo

2010-01-01

The transition state structures and free energy barriers for the rate-determining step (i.e. the formation of a tetrahedral intermediate) of base-catalyzed hydrolysis of a series of amides in aqueous solution have been studied by performing first-principle electronic structure calculations using a hybrid supermolecule-polarizable continuum approach. The calculated results and a revisit of recently reported experimental proton inventory data reveal that the favorable transition state structure optimized for the tetrahedral intermediate formation of hydroxide ion-catalyzed hydrolysis of formamide may have three solvating water molecules remaining on the attacking hydroxide oxygen and two additional water molecules attached to the carbonyl oxygen of formamide. The calculated results have also demonstrated interesting substituent effects on the optimized transition state geometries, on the transition-state stabilization, and on the calculated free energy barriers for the base-catalyzed hydrolysis of amides. When some or all of the hydrogen atoms of formamide are replaced by methyl groups, the total number of water molecules hydrogen-bonding with the attacking hydroxide in the transition state decreases from three for formamide to two for N-methylacetamide, N,N-dimethylformamide (DMF), and N,N-dimethylacetamide (DMA). The larger substituents of the amide hinder the solvent water molecules approaching the attacking hydroxide oxygen in the transition state and, therefore, destabilize the transition state structure and increase the free energy barrier. By using the optimized most favorable transition state structures, the calculated free energy barriers, i.e. 21.6 (or 21.7), 22.7, 23.1, and 26.0 kcal/mol for formamide, N-methylacetamide, DMF, and DMA, respectively, are in good agreement with the available experimental free energy barriers, i.e. 21.2, 21.5, 22.6, and 24.1 kcal/mol for formamide, N-methylacetamide, DMF, and DMA, respectively. PMID:17107116

High current density ion beam obtained by a transition to a highly focused state in extremely low-energy region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirano, Y., E-mail: y.hirano@aist.go.jp, E-mail: hirano.yoichi@phys.cst.nihon-u.ac.jp; College of Science and Technologies, Nihon University, Chiyodaku, Tokyo 101-0897; Kiyama, S.

2015-11-15

A high current density (≈3 mA/cm{sup 2}) hydrogen ion beam source operating in an extremely low-energy region (E{sub ib} ≈ 150–200 eV) has been realized by using a transition to a highly focused state, where the beam is extracted from the ion source chamber through three concave electrodes with nominal focal lengths of ≈350 mm. The transition occurs when the beam energy exceeds a threshold value between 145 and 170 eV. Low-level hysteresis is observed in the transition when E{sub ib} is being reduced. The radial profiles of the ion beam current density and the low temperature ion current densitymore » can be obtained separately using a Faraday cup with a grid in front. The measured profiles confirm that more than a half of the extracted beam ions reaches the target plate with a good focusing profile with a full width at half maximum of ≈3 cm. Estimation of the particle balances in beam ions, the slow ions, and the electrons indicates the possibility that the secondary electron emission from the target plate and electron impact ionization of hydrogen may play roles as particle sources in this extremely low-energy beam after the compensation of beam ion space charge.« less

Anchoring Energy Measurements at the Aqueous Phase/Liquid Crystal Interface with Cationic Surfactants Using Magnetic Fréedericksz Transition.

PubMed

Yesil, Fatma; Suwa, Masayori; Tsukahara, Satoshi

2018-01-09

We constructed the apparatus to observe the Fréedericksz transition of liquid crystal in contact with water. The Fréedericksz transition is a distortion of nematic liquid crystals (LCs) induced by external fields. In the present system, sweeping homogeneous magnetic field was applied to the sample, and the distortion of the LC was visualized with a polarized light microscope with the crossed Nichols configuration. The anchoring energy (W AQ/LC ) at the aqueous phase/LC interface was measured in the presence of surfactant from the threshold magnetic field of the Fréedericksz transition. We studied two cationic surfactants: dodecyltrimethylammonium bromide and tetradecyltrimethylammonium bromide. A nematic LC, 4-cyano-4'-pentylbiphenyl (5CB), was examined, which was confined in a copper grid on an octadecyltrichlorosilane-treated microscope glass plate. Measured W AQ/LC were reproducible and showed consistence with the reported region for the water/LC interface. Interfacial excess of surfactants was also measured by the pendant drop method, and the relationship between the obtained W AQ/LC and the interfacial excess was investigated. Experiments showed that an increase in the anchoring energy depends on the surfactant and its interfacial excess. The region of the interfacial coverage, at which W AQ/LC increases, varied with the chain length of the surfactant. The measurement of the anchoring energy will provide new fundamental information on aqueous phase/LC interface.

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

NASA Astrophysics Data System (ADS)

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

2014-06-01

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

Transition between inverse and direct energy cascades in multiscale optical turbulence

DOE PAGES

Malkin, V. M.; Fisch, N. J.

2018-03-06

Transition between inverse and direct energy cascades in multiscale optical turbulence. Multiscale turbulence naturally develops and plays an important role in many fluid, gas, and plasma phenomena. Statistical models of multiscale turbulence usually employ Kolmogorov hypotheses of spectral locality of interactions (meaning that interactions primarily occur between pulsations of comparable scales) and scale-invariance of turbulent pulsations. However, optical turbulence described by the nonlinear Schrodinger equation exhibits breaking of both the Kolmogorov locality and scale-invariance. A weaker form of spectral locality that holds for multi-scale optical turbulence enables a derivation of simplified evolution equations that reduce the problem to a singlemore » scale modeling. We present the derivation of these equations for Kerr media with random inhomogeneities. Then, we find the analytical solution that exhibits a transition between inverse and direct energy cascades in optical turbulence.« less

Computer Series 41: Potential-Energy Surfaces and Transition-State Theory.

ERIC Educational Resources Information Center

Moss, S. J.; Coady, C. J.

1983-01-01

Describes computer programs involving the London-Eyring-Polany-Sato method (LEPS). The programs provide a valuable means of introducing students to potential energy surfaces and to the foundations of transition state theory. Program listings (with copies of student scripts) or programs on DOS 3.3 disc are available from authors. (JN)

First-order metal-insulator transition not accompanied by the structural phase transition observed in VO2-based devices

NASA Astrophysics Data System (ADS)

Kim, Hyun-Tak; Chae, Byung-Gyu; Kim, Bong-Jun; Lee, Yong-Wook; Yun, Sun-Jin; Kang, Kwang-Yong

2006-03-01

An abrupt first-order metal-insulator transition (MIT) is observed during the application of a switching pulse voltage to VO2-based two-terminal devices. When the abrupt MIT occurs, the structural phase transition (SPT) is investigated by a micro- Raman spectroscopy and a micro-XRD. The result shows that the MIT is not accompanied with the structural phase transition (SPT); the abrupt MIT is prior to the SPT. Moreover, any switching pulse over a threshold voltage of 7.1 V for the MIT enabled the device material to transform efficiently from an insulator to a metal. The measured delay time from the source switching pulse to an induced MIT pulse is an order of 20 nsec which is much less than a delay time of about one msec deduced by thermal model. This indicates that the first-order MIT does not occur due to thermal. We think this MIT is the Mott transition. (Reference: New J. Phys. 6 (1994) 52 (www.njp.org), Appl. Phys. Lett. 86 (2005) 242101, Physica B 369 (2005. December) xxxx)

Few-photon color imaging using energy-dispersive superconducting transition-edge sensor spectrometry

NASA Astrophysics Data System (ADS)

Niwa, Kazuki; Numata, Takayuki; Hattori, Kaori; Fukuda, Daiji

2017-04-01

Highly sensitive spectral imaging is increasingly being demanded in bioanalysis research and industry to obtain the maximum information possible from molecules of different colors. We introduce an application of the superconducting transition-edge sensor (TES) technique to highly sensitive spectral imaging. A TES is an energy-dispersive photodetector that can distinguish the wavelength of each incident photon. Its effective spectral range is from the visible to the infrared (IR), up to 2800 nm, which is beyond the capabilities of other photodetectors. TES was employed in this study in a fiber-coupled optical scanning microscopy system, and a test sample of a three-color ink pattern was observed. A red-green-blue (RGB) image and a near-IR image were successfully obtained in the few-incident-photon regime, whereas only a black and white image could be obtained using a photomultiplier tube. Spectral data were also obtained from a selected focal area out of the entire image. The results of this study show that TES is feasible for use as an energy-dispersive photon-counting detector in spectral imaging applications.

Few-photon color imaging using energy-dispersive superconducting transition-edge sensor spectrometry.

PubMed

Niwa, Kazuki; Numata, Takayuki; Hattori, Kaori; Fukuda, Daiji

2017-04-04

Highly sensitive spectral imaging is increasingly being demanded in bioanalysis research and industry to obtain the maximum information possible from molecules of different colors. We introduce an application of the superconducting transition-edge sensor (TES) technique to highly sensitive spectral imaging. A TES is an energy-dispersive photodetector that can distinguish the wavelength of each incident photon. Its effective spectral range is from the visible to the infrared (IR), up to 2800 nm, which is beyond the capabilities of other photodetectors. TES was employed in this study in a fiber-coupled optical scanning microscopy system, and a test sample of a three-color ink pattern was observed. A red-green-blue (RGB) image and a near-IR image were successfully obtained in the few-incident-photon regime, whereas only a black and white image could be obtained using a photomultiplier tube. Spectral data were also obtained from a selected focal area out of the entire image. The results of this study show that TES is feasible for use as an energy-dispersive photon-counting detector in spectral imaging applications.

N(+)-N and O(+)-O interaction energies, dipole transition moments, and transport cross sections

NASA Technical Reports Server (NTRS)

Partridge, H.; Stallcop, J. R.

1986-01-01

Complete sets of ion-atom interaction energies have been computed for nitrogen and oxygen with accurate large scale structure calculations. The computed energies agree well with the accurate potential curves available from spectroscopic measurement. The state functions from the nitrogen calculations have been applied to determine the transition moment for all allowed dipole transitions. These results can be combined to compute a detailed radiation spectrum such as that required to define the highly nonequilibrium environment of aeroassisted orbital transfer vehicle (AOTV). The long-range interaction energies have been used to determine the ion-atom resonance charge exchange cross sections that are important for transport processes such as diffusion. A calculation to determine reliable transport properties for energies that include the AOTV temperature range from these computed properties is described.

Results of thermal modeling of Smart Energy Coating with phase-transition material for independent electricity generation

NASA Astrophysics Data System (ADS)

Pospelova, I. Y.; Pospelova, M. Y.; Bondarenko, A. S.; Kornilov, D. A.

2018-05-01

The modeling for Smart Energy Coating is presented. The coating is able to produce electricity on the surface of pipelines and structural elements. Along with electric output, Smart Energy Coating ensures the stable temperature conditions of work for structures, pipelines and regulating elements. The energy production scheme is based on the Peltier principle and the insulating layer with a phase transition. Thermally conductive inclusions of the inside layer with a phase transition material ensure the stable operation of the Peltier element.

Emulating JWST/NIRCam Exoplanet Transit Observations in a Testbed laboratory experiment

NASA Astrophysics Data System (ADS)

Touli-Lebreton, D.; Vasisht, G.; Smith, R.; Krist, J.; Beichman, C.

2014-03-01

The transit technique is used for the detection and characterization of exoplanets. The combination of a transit measurement with a radial velocity measurement gives information about a planet's radius and mass, respectively, leading to an estimate of the planet's density and therefore to its composition and evolutionary history. Spectroscopic observations of individual planets have revealed atomic and molecular species such as H2O, CO2 and CH4 in atmospheres of planets orbiting bright stars, e.g. Deming et al 2013. These transit observations require extremely precise photometry. For instance, Jupiter transit results to a 1% brightness decrease of a solar type star while the Earth causes only a 0.0084% decrease (84 ppm). In our controlled laboratory experiment, we use a H2RG detector, two lamps of variable intensity, along with spectral line and photometric simulation masks to emulate the signals from a star-only, from a planet-only and finally, from a combination of a planet + star. Two masks have been used to simulate spectra in monochromatic light. The masks are 1040 pixels in length with one mask having a 2-pixel width and the other a 10-pixel width. From many-hour long observing sequences we obtain time series photometry with deliberate offsets introduced to test sensitivity to pointing jitter and other effects. We can modify the star- planet brightness contrast by factors up to 104:1. With cross correlation techniques we calculate positional shifts which are then used to decorrelate the effects of vertical and lateral offsets due to turbulence and instrumental vibrations on the photometry. Using Principal Component Analysis (PCA), we reject correlated temporal noise to achieve a precision lower than 50 ppm (Clanton et al 2012). Testbed experiments are ongoing to provide quantitative information on the achievable spectroscopic precision using realistic exoplanet spectra with the goal to define optimized data acquisition sequences for use, for example, with the

HIGH-PRESSURE PHYSICS. Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium.

PubMed

Knudson, M D; Desjarlais, M P; Becker, A; Lemke, R W; Cochrane, K R; Savage, M E; Bliss, D E; Mattsson, T R; Redmer, R

2015-06-26

Eighty years ago, it was proposed that solid hydrogen would become metallic at sufficiently high density. Despite numerous investigations, this transition has not yet been experimentally observed. More recently, there has been much interest in the analog of this predicted metallic transition in the dense liquid, due to its relevance to planetary science. Here, we show direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium. Experimental determination of the location of this transition provides a much-needed benchmark for theory and may constrain the region of hydrogen-helium immiscibility and the boundary-layer pressure in standard models of the internal structure of gas-giant planets. Copyright © 2015, American Association for the Advancement of Science.

Energy barriers and rates of tautomeric transitions in DNA bases: ab initio quantum chemical study.

PubMed

Basu, Soumalee; Majumdar, Rabi; Das, Gourab K; Bhattacharyya, Dhananjay

2005-12-01

Tautomeric transitions of DNA bases are proton transfer reactions, which are important in biology. These reactions are involved in spontaneous point mutations of the genetic material. In the present study, intrinsic reaction coordinates (IRC) analyses through ab initio quantum chemical calculations have been carried out for the individual DNA bases A, T, G, C and also A:T and G:C base pairs to estimate the kinetic and thermodynamic barriers using MP2/6-31G** method for tautomeric transitions. Relatively higher values of kinetic barriers (about 50-60 kcal/mol) have been observed for the single bases, indicating that tautomeric alterations of isolated single bases are quite unlikely. On the other hand, relatively lower values of the kinetic barriers (about 20-25 kcal/mol) for the DNA base pairs A:T and G:C clearly suggest that the tautomeric shifts are much more favorable in DNA base pairs than in isolated single bases. The unusual base pairing A':C, T':G, C':A or G':T in the daughter DNA molecule, resulting from a parent DNA molecule with tautomeric shifts, is found to be stable enough to result in a mutation. The transition rate constants for the single DNA bases in addition to the base pairs are also calculated by computing the free energy differences between the transition states and the reactants.

Pressure-Induced Structural Transition and Enhancement of Energy Gap of CuAlO2

NASA Astrophysics Data System (ADS)

Nakanishi, Akitaka

2011-02-01

By using first-principles calculations, we studied the stable crystal structures and energy gaps of CuAlO2 under high pressure. Our simulation shows that CuAlO2 transforms from a delafossite structure to a leaning delafossite structure. The critical pressure of the transition was determined to be 60 GPa. The energy gap of CuAlO2 increases through the structural transition due to the enhanced covalency of Cu 3d and O 2p states. We found that a chalcopyrite structure does not appear as a stable structure under high pressure.

Identification of forbidden vibration-rotation transitions in 15NH3

NASA Astrophysics Data System (ADS)

Urban, Š.; D'Cunha, Romola; Narahari Rao, K.

1984-07-01

Forbidden Δk - l = 3 vibration-rotation transitions have been observed in the ν4 band of 15NH3. The analysis of these transitions, together with previously published data on the allowed transitions, has made it possible to determine a set of molecular parameters, including for the first time the rotational constant C as well as the centrifugal distortion constants DK and HKKK, which are necessary for the calculation of energy levels. Some weak forbidden transitions in the ν2 band have also been observed.

Nuclear forward scattering for high energy mössbauer transitions.

PubMed

Sergueev, I; Chumakov, A I; Beaume-Dang, T H Deschaux; Rüffer, R; Strohm, C; van Bürck, U

2007-08-31

We have studied nuclear forward scattering of synchrotron radiation for the 67.41 keV resonance of 61Ni using a silicon crystal monochromator with low-index reflections and a multielement detector. This approach can be extended to other high-energy Mössbauer transitions and does not pose any restrictions on the sample environment. Under conditions of large sample thickness and short nuclear lifetime, typical for work with high-energy nuclear resonances, the nuclear decay follows a universal dependence where both thickness effects and hyperfine interactions are taken into account by time scaling.

Benchmarking transition energies and emission strengths for X-ray astrophysics with measurements at the Livermore EBITs

NASA Astrophysics Data System (ADS)

Hell, Natalie

2017-03-01

K-shell transitions in astrophysically abundant metals and L-shell transitions in Fe group elements show characteristic signatures in the soft X-ray spectrum in the energy range 0.1-10 keV. These signatures have great diagnostic value for plasma parameters such as electron and ion temperatures and densities, and can thus help understand the physics controlling the energetic processes in astrophysical sources. This diagnostic power increases with advances in spectral resolution and effective area of the employed X-ray observatories. However, to make optimal use of the diagnostic potential - whether through global spectral modeling or through diagnostics from local modeling of individual lines - the underlying atomic physics has to be complete and well known. With the next generation of soft X-ray observatories featuring micro-calorimeters such as the SXS on Astro-H /Hitomi and the X-IFU on Athena, broadband high-resolution spectroscopy with large effective area will become more commonly available in the next decade. With these spectrometers, the accuracy of the plasma parameters derived from spectral modeling will be limited by the uncertainty of the reference atomic data rather than by instrumental factors, as is sometimes already the case for the high-resolution grating observations with Chandra-HETG and XMM-Newton-RGS. To take full advantage of the measured spectra, assessment of the accuracy of and improvements to the available atomic reference data are therefore important. Dedicated measurements in the laboratory are essential to benchmark the theoretical calculations providing the bulk of the reference data used in astrophysics. Experiments at the Lawrence Livermore National Laboratory electron beam ion traps (EBIT-I and SuperEBIT) have a long history of providing this service. In this work, I present new measurements of transition energies and absolute electron impact excitation cross sections geared towards currently open atomic physics data needs. First, I

Surface energy from order parameter profile: At the QCD phase transition

NASA Technical Reports Server (NTRS)

Frei, Z.; Patkos, A.

1989-01-01

The order parameter profile between coexisting confined and plasma regions at the quantum chromodynamic (QCD) phase transition is constructed. The dimensionless combination of the surface energy (Sigma) and the correlation length (Zeta) is estimated to be Sigma Zeta 3 approximately equals 0.8.

Energy management guidelines for rail transit systems : volume I. final report

DOT National Transportation Integrated Search

1986-09-01

The cost of electricity is a significant portion of the operating costs of rail transit systems. The impact of increasing energy costs is felt by those systems presently in operation and will be felt by those in the planning or construction phases. B...

Phase transition studies of germanium to 1. 25 Mbar

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vohra, Y.K.; Brister, K.E.; Desgreniers, S.

1986-05-05

New phase transitions in Ge were observed by energy-dispersive x-ray diffraction techniques for pressures up to 125 GPa (1.25 Mbar) as follows: the ..beta..-Sn structure to the simple hexagonal (sh) phase at 75 +- 3 GPa and to the double hexagonal close-packed structure (dhcp) at 102 +- 5 GPa. These are the highest pressures for which a crystalline structure change has been directly observed in any material by x-ray diffraction. Total-energy pseudopotential calculations predict 84 +- 10 GPa for the ..beta..-Sn to sh phase transition and 105 +- 21 GPa for sh to hcp (not dhcp) transition. The role ofmore » 3d core electrons in increasing the transformation pressures in Ge, as compared to Si, is emphasized.« less

Precise Determination of the Lyman-1 Transition Energy in Hydrogen-like Gold Ions with Microcalorimeters

NASA Astrophysics Data System (ADS)

Kraft-Bermuth, S.; Andrianov, V.; Bleile, A.; Echler, A.; Egelhof, P.; Grabitz, P.; Kilbourne, C.; Kiselev, O.; McCammon, D.; Scholz, P.

2014-09-01

The precise determination of the transition energy of the Lyman-1 line in hydrogen-like heavy ions provides a sensitive test of quantum electrodynamics in very strong Coulomb fields. We report the determination of the Lyman-1 transition energy of gold ions (Au) with microcalorimeters at the experimental storage ring at GSI. X-rays produced by the interaction of 125 MeV/u Au ions with an internal argon gas-jet target were detected. The detector array consisted of 14 pixels with silicon thermistors and Sn absorbers, for which an energy resolution of 50 eV for an X-ray energy of 59.5 keV was obtained in the laboratory. The Lyman-1 transition energy was determined for each pixel in the laboratory frame, then transformed into the emitter frame and averaged. A Dy-159 source was used for energy calibration. The absolute positions of the detector pixels, which are needed for an accurate correction of the Doppler shift, were determined by topographic measurements and by scanning a collimated Am-241 source across the cryostat window. The energy of the Lyman-1 line in the emitter frame is eV, in good agreement with theoretical predictions. The systematic error is dominated by the uncertainty in the position of the cryostat relative to the interaction region of beam and target.

Responses of energy balance, physiology, and production for transition dairy cows fed with a low-energy prepartum diet during hot season.

PubMed

Su, Huawei; Wang, Yachun; Zhang, Qian; Wang, Fuwei; Cao, Zhijun; Rahman, Muhammad Aziz Ur; Cao, Binghai; Li, Shengli

2013-10-01

Twenty multiparous Chinese Holstein dairy cows calving in hot summer (S group), were compared with 20 similar control cows calving in cool autumn (C group). Diets were the same for both groups; prepartum diets had relatively low energy density. Average temperature-humidity index was 76.5 and 53.0 in summer and autumn, respectively. S group cows had significantly higher rectal temperatures (39.6 vs. 39.0 °C) and respiration rates (79.0 vs. 31.3 breaths/min) than C group, and consumed less feed (prepartum 8.0 vs. 12.3 kg/day, postpartum 16.3 vs. 21.2 kg/day). Calculated energy balance (EB) was -7.98 vs. -5.15 Mcal/day for S group prepartum and postpartum, respectively. In contrast, EB was 1.36 vs. -2.03 Mcal/day for C group prepartum and postpartum, respectively. S group produced significantly less milk than C group by 15.4 % (5.2 kg/day) and 26.8 % (10.2 kg/d) for milk yield and energy-corrected milk, respectively. Percentages of milk fat (3.28 vs. 4.29 %), protein (3.08 vs. 3.33 %), and solids-not-fat (8.46 vs. 8.78 %) were significantly lower for S group. Milk urea nitrogen (19.54 vs. 13.31 mg/dL) was significantly higher in S group. Significantly lower feed efficiency was observed in S group (1.56 vs. 1.66). During the entire transition period, S group had significantly lower circulating glucose levels. S group had significantly higher levels of nonesterified fatty acids (NEFA) prepartum, but after 14 days in milk, NEFA was significantly lower. We conclude that increasing dietary energy density during transition period (especially prepartum) is necessary to minimize adverse effects of hot season.

Energy Landscape and Pathways for Transitions between Watson-Crick and Hoogsteen Base Pairing in DNA.

PubMed

Chakraborty, Debayan; Wales, David J

2018-01-04

The recent discovery that Hoogsteen (HG) base pairs are widespread in DNA across diverse sequences and positional contexts could have important implications for understanding DNA replication and DNA-protein recognition. While evidence is emerging that the Hoogsteen conformation could be a thermodynamically accessible conformation of the DNA duplex and provide a means to expand its functionality, relatively little is known about the molecular mechanism underlying the Watson-Crick (WC) to HG transition. In this Perspective, we describe pathways and kinetics for this transition at an atomic level of detail, using the energy landscape perspective. We show that competition between the duplex conformations results in a double funnel landscape, which explains some recent experimental observations. The interconversion pathways feature a number of intermediates, with a variable number of WC and HG base pairs. The relatively slow kinetics, with possible deviations from two-state behavior, suggest that this conformational switch is likely to be a challenging target for both simulation and experiment.

The Flow of Energy

NASA Astrophysics Data System (ADS)

Znidarsic, F.; Robertson, G. A.

In this paper, the flow of energy in materials is presented as mechanical waves with a distinct velocity or speed of transition. This speed of transition came about through the observations of cold fusion experiments, i.e., Low Energy Nuclear Reactions (LENR) and superconductor gravity experiments, both assumed speculative by mainstream science. In consideration of superconductor junctions, the LENR experiments have a similar speed of transition, which seems to imply that the reactions in the LENR experiment are discrete quantized reactions (energy - burst vs. continuous). Here an attempt is made to quantify this new condition as it applies to electrons; toward the progression of quantized energy flows (discrete energy burst) as a new source of clean energy and force mechanisms (i.e, propulsion).

Effect of temperature-driven phase transition on energy-storage and -release properties of Pb0.97La0.02[Zr0.55Sn0.30Ti0.15]O3 ceramics

NASA Astrophysics Data System (ADS)

Xu, Ran; Tian, Jingjing; Zhu, Qingshan; Feng, Yujun; Wei, Xiaoyong; Xu, Zhuo

2017-07-01

Temperature-driven phase transition of Pb0.97La0.02[Zr0.55Sn0.30Ti0.15]O3 ceramics was studied, and the consecutive ferroelectric-antiferroelectric-paraelectric (FE-AFE-PE) switching was confirmed. The materials have better dielectric tunability (-82% to 50%) in the AFE state than in the FE state. Also, the phase transition influences the energy-storage and -release performance significantly. A sharp increase in releasable energy density and efficiency was observed due to the temperature-driven FE-AFE transition. Highest releasable energy density, current density, and peak power density were achieved at 130 °C, which was attributed to the highest backward transition field. The stored charge was released completely in AFE and PE states in the microseconds scale, while only a small part of it was released in the FE state. The above results indicate the huge impact of temperature-driven phase transition on dielectrics' performance, which is significant when developing AFE materials working in a wide temperature range.

Energy spectra and E2 transition rates of 124—130Ba

NASA Astrophysics Data System (ADS)

Sabri, H.; Seidi, M.

2016-10-01

In this paper, we have studied the energy spectra and B(E2) values of 124—130Ba isotopes in the shape phase transition region between the spherical and gamma unstable deformed shapes. We have used a transitional interacting Boson model (IBM), Hamiltonian which is based on affine SU(1,1) Lie algebra in the both IBM-1 and 2 versions and also the Catastrophe theory in combination with a coherent state formalism to generate energy surfaces and determine the exact values of control parameters. Our results for control parameters suggest a combination of U(5) and SO(6) dynamical symmetries in this isotopic chain. Also, the theoretical predictions can be rather well reproduce the experimental counterparts, when the control parameter is approached to the SO(6) limit.

Free energy of conformational transition paths in biomolecules: The string method and its application to myosin VI

PubMed Central

Ovchinnikov, Victor; Karplus, Martin; Vanden-Eijnden, Eric

2011-01-01

A set of techniques developed under the umbrella of the string method is used in combination with all-atom molecular dynamics simulations to analyze the conformation change between the prepowerstroke (PPS) and rigor (R) structures of the converter domain of myosin VI. The challenges specific to the application of these techniques to such a large and complex biomolecule are addressed in detail. These challenges include (i) identifying a proper set of collective variables to apply the string method, (ii) finding a suitable initial string, (iii) obtaining converged profiles of the free energy along the transition path, (iv) validating and interpreting the free energy profiles, and (v) computing the mean first passage time of the transition. A detailed description of the PPS↔R transition in the converter domain of myosin VI is obtained, including the transition path, the free energy along the path, and the rates of interconversion. The methodology developed here is expected to be useful more generally in studies of conformational transitions in complex biomolecules. PMID:21361558

The Differential Gibbs Free Energy of Activation and its Implications in the Transition-State of Enzymatic Reactions

NASA Astrophysics Data System (ADS)

Maggi, F.; Riley, W. J.

2016-12-01

We propose a mathematical framework to introduce the concept of differential free energy of activation in enzymatically catalyzed reactions, and apply it to N uptake by microalgae and bacteria. This framework extends the thermodynamic capabilities of the classical transition-state theory in and harmonizes the consolidated definitions of kinetic parameters with their thermodynamic and physical meaning. Here, the activation energy is assumed to be a necessary energetic level for equilibrium complexation between reactants and activated complex; however, an additional energy contribution is required for the equilibrium activated complex to release reaction products. We call this "differential free energy of activation"; it can be described by a Boltzmann distribution, and corresponds to a free energy level different from that of complexation. Whether this level is above or below the free energy of activation depends on the reaction, and defines energy domains that correspond to "superactivated", "activated", and "subactivated" complexes. The activated complex reaching one of those states will eventually release the products from an energy level different than that of activation. The concept of differential free energy of activation was tested on 57 independent experiments of NH­4+ and NO3- uptake by various microalgae and bacteria at temperatures ranging between 1 and 45oC. Results showed that the complexation equilibrium always favored the activated complex, but the differential energy of activation led to an apparent energy barrier consistent with observations. Temperature affected all energy levels within this framework but did not alter substantially these thermodynamic features. Overall the approach: (1) provides a thermodynamic and mathematical link between Michaelis-Menten and rate constants; (2) shows that both kinetic parameters can be described or approximated by Arrhenius' like equations; (3) describes the likelihood of formation of sub-, super-, and

Analysis of Some New Electronic Transitions Observed Using Intracavity Laser Spectroscopy (ils): Possible Identification of HCuN

NASA Astrophysics Data System (ADS)

Harms, Jack C.; Grames, Ethan M.; O'Brien, Leah C.; O'Brien, James J.

2017-06-01

Four new electronic transitions with blue-degraded bandheads were observed in the orange-red region of the visible spectrum. The transitions were observed in the plasma discharge of a hollow copper cathode placed within the cavity of a tunable dye laser system, allowing molecular absorbance to be enhanced upon laser amplification. To produce the molecules, the surface of the copper cathode was soaked in a dilute ammonia solution prior to installation, and 1 torr of H_2 was used as the sputter gas in the dc plasma discharge. The bandheads were observed at 16,560 \\wn, 16,485 \\wn, 16,027 \\wn, and 15,960 \\wn. Using 1.5 torr of D_2 as the sputter gas resulted in a -3 \\wn shift in origin for the bands in the 16,000 \\wn region. Four rotational branches have been identified in each transition, and the transitions have been fit to independent ^{2}Σ - ^{2}Π transitions using PGOPHER, with spin-orbit splittings in the Hund's case (a) Π-states of -71.2 \\wn and -65.4 \\wn. The transitions have tentatively been assigned to HCuN. Results of this analysis will be presented.

Mechanisms affecting the transition from shallow to deep convection over land: Inferences from observations collected at the ARM Southern Great Plains site

NASA Astrophysics Data System (ADS)

Zhang, Y.; Klein, S. A.

2009-12-01

11 years of summertime observations at the Atmospheric Radiation Measurement (ARM) Climate Research Facility Southern Great Plains (SGP) site are used to investigate mechanisms controlling the transition from shallow to deep convection over land. A more humid environment above the boundary layer favors the occurrence of late-afternoon heavy precipitation events. The higher moisture content is brought by wind from south. Greater boundary layer inhomogeneity in moist static energy (MSE) is correlated to larger rain rates at the initial stage of precipitation. MSE inhomogeneity is attributed to both moisture and temperature fields, and is correlated with westerly winds. In an examination of afternoon rain statistics, higher relative humidity above the boundary layer is correlated to an earlier onset and longer duration of precipitation, while greater boundary layer inhomogeneity and atmospheric instability are positively correlated to the total rain amount and the maximum rain rate. On balance, these observations favor theories for the transition that involve a moist free troposphere and boundary layer heterogeneity in preference to those that involve convective available potential energy or convective inhibition. Thus the evidence presented here supports the current emphasis in the modeling community on the entraining nature of convection and the role of boundary layer cold pools in triggering new convection.

Melting-solidification transition of Zn nanoparticles embedded in SiO2: Observation by synchrotron x-ray and ultraviolet-visible-near-infrared light

NASA Astrophysics Data System (ADS)

Amekura, H.; Tanaka, M.; Katsuya, Y.; Yoshikawa, H.; Ohnuma, M.; Matsushita, Y.; Kobayashi, K.; Kishimoto, N.

2010-11-01

Melting-solidification transition of Zn nanoparticles (NPs) with the mean diameter of 11.5 nm, embedded in silica glass, was investigated by glancing incident x-ray diffraction (GIXRD) at high temperatures using synchrotron radiation (SR). With increasing temperature, 101Zn diffraction peak gradually decreases up to ˜360 °C and then steeply decreases. This is due to the melting of Zn NPs, which completes around 420 °C. With decreasing temperature, the solidification of the NPs begins around ˜310 °C. The temperature hysteresis with a width of ˜110 °C was observed. With temperature, the diffraction angle shows a shift without hysteresis, which is ascribed to thermal expansion of Zn NP lattice. Thermal expansion coefficient of Zn NPs was determined as 24.4×10-6 K-1 along the ⟨101⟩ direction. Optical absorption spectroscopy shows a broad ultraviolet (UV) peak which was observed at even higher temperatures than the melting temperature but shifts to the low-energy side with the melting. The energy shift in the UV peak also shows the temperature hysteresis which resembles with the melting-solidification hysteresis recorded by SR-GIXRD. The melting-solidification transition is also detectable by the optical absorption spectroscopy in the UV-visible-near-infrared region.

Experimental Observation of the Aubry Transition in Two-Dimensional Colloidal Monolayers

NASA Astrophysics Data System (ADS)

Brazda, T.; Silva, A.; Manini, N.; Vanossi, A.; Guerra, R.; Tosatti, E.; Bechinger, C.

2018-01-01

The possibility to achieve entirely frictionless, i.e., superlubric, sliding between solids holds enormous potential for the operation of mechanical devices. At small length scales, where mechanical contacts are well defined, Aubry predicted a transition from a superlubric to a pinned state when the mechanical load is increased. Evidence for this intriguing Aubry transition (AT), which should occur in one dimension (1D) and at zero temperature, was recently obtained in few-atom chains. Here, we experimentally and theoretically demonstrate the occurrence of the AT in an extended two-dimensional (2D) system at room temperature using a colloidal monolayer on an optical lattice. Unlike the continuous nature of the AT in 1D, we observe a first-order transition in 2D leading to a coexistence regime of pinned and unpinned areas. Our data demonstrate that the original concept of Aubry not only survives in 2D but is relevant for the design of nanoscopic machines and devices at ambient temperature.

Compensation effects and relation between the activation energy of spin transition and the hysteresis loop width for an iron(ii) complex.

PubMed

Bushuev, Mark B; Pishchur, Denis P; Nikolaenkova, Elena B; Krivopalov, Viktor P

2016-06-22

The enthalpy-entropy compensation was observed for the cooperative → spin transition (the phase is a mononuclear complex [FeL2](BF4)2, L is 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6-methylpyrimidine). The physical origin of this effect is the fact that the → spin transition is the first order phase transition accompanied by noticeable variations in the Tonset↑, ΔH and ΔS values. Higher ΔH and ΔS values are correlated with higher Tonset↑ values. The higher the enthalpy and entropy of the spin transition, the wider the hysteresis loop. The kinetic compensation effect, i.e. a linear relationship between ln A and Ea, was observed for the → spin transition. Moreover, an isokinetic relationship was detected in this system: the Arrhenius lines (ln k vs. 1/T) obtained from magnetochemical data for different samples of the phase undergoing the → transition show a common point of intersection (Tiso = 490 ± 2 K, ln kiso = -6.0 ± 0.2). The validity of this conclusion was confirmed by the Exner-Linert statistical method. This means that the isokinetic relationship and the kinetic compensation effect (ln A vs. Ea) in this system are true ones. The existence of a true kinetic compensation effect is supported independently by the fact that the hysteresis loop width for the cooperative spin transition ↔ increases with increasing activation barrier height. Estimating the energy of excitations for the phase with Tiso ∼ 490 K yields wavenumbers of ca. 340 cm(-1) corresponding to the frequencies of the stretching vibrations of the Fe(LS)-N bonds, i.e. the bonds directly involved in the mechanism of the spin transition. This is the first observation of the kinetic compensation effect (ln A vs. Ea) and the isokinetic relationship for a cooperative spin crossover system showing thermal hysteresis. Our results provide the first experimental evidence that the higher the activation barrier for the spin transition, the wider the hysteresis loop for a

A simulation study on the constancy of cardiac energy metabolites during workload transition.

PubMed

Saito, Ryuta; Takeuchi, Ayako; Himeno, Yukiko; Inagaki, Nobuya; Matsuoka, Satoshi

2016-12-01

The cardiac energy metabolites such as ATP, phosphocreatine, ADP and NADH are kept relatively constant during physiological cardiac workload transition. How this is accomplished is not yet clarified, though Ca 2+ has been suggested to be one of the possible mechanisms. We constructed a detailed mathematical model of cardiac mitochondria based on experimental data and studied whether known Ca 2+ -dependent regulation mechanisms play roles in the metabolite constancy. Model simulations revealed that the Ca 2+ -dependent regulation mechanisms have important roles under the in vitro condition of isolated mitochondria where malate and glutamate were mitochondrial substrates, while they have only a minor role and the composition of substrates has marked influence on the metabolite constancy during workload transition under the simulated in vivo condition where many substrates exist. These results help us understand the regulation mechanisms of cardiac energy metabolism during physiological cardiac workload transition. The cardiac energy metabolites such as ATP, phosphocreatine, ADP and NADH are kept relatively constant over a wide range of cardiac workload, though the mechanisms are not yet clarified. One possible regulator of mitochondrial metabolism is Ca 2+ , because it activates several mitochondrial enzymes and transporters. Here we constructed a mathematical model of cardiac mitochondria, including oxidative phosphorylation, substrate metabolism and ion/substrate transporters, based on experimental data, and studied whether the Ca 2+ -dependent activation mechanisms play roles in metabolite constancy. Under the in vitro condition of isolated mitochondria, where malate and glutamate were used as mitochondrial substrates, the model well reproduced the Ca 2+ and inorganic phosphate (P i ) dependences of oxygen consumption, NADH level and mitochondrial membrane potential. The Ca 2+ -dependent activations of the aspartate/glutamate carrier and the F 1 F o -ATPase, and

Transition model for ricin-aptamer interactions with multiple pathways and energy barriers

NASA Astrophysics Data System (ADS)

Wang, Bin; Xu, Bingqian

2014-02-01

We develop a transition model to interpret single-molecule ricin-aptamer interactions with multiple unbinding pathways and energy barriers measured by atomic force microscopy dynamic force spectroscopy. Molecular simulations establish the relationship between binding conformations and the corresponding unbinding pathways. Each unbinding pathway follows a Bell-Evans multiple-barrier model. Markov-type transition matrices are developed to analyze the redistribution of unbinding events among the pathways under different loading rates. Our study provides detailed information about complex behaviors in ricin-aptamer unbinding events.

A stochastic estimation procedure for intermittently-observed semi-Markov multistate models with back transitions.

PubMed

Aralis, Hilary; Brookmeyer, Ron

2017-01-01

Multistate models provide an important method for analyzing a wide range of life history processes including disease progression and patient recovery following medical intervention. Panel data consisting of the states occupied by an individual at a series of discrete time points are often used to estimate transition intensities of the underlying continuous-time process. When transition intensities depend on the time elapsed in the current state and back transitions between states are possible, this intermittent observation process presents difficulties in estimation due to intractability of the likelihood function. In this manuscript, we present an iterative stochastic expectation-maximization algorithm that relies on a simulation-based approximation to the likelihood function and implement this algorithm using rejection sampling. In a simulation study, we demonstrate the feasibility and performance of the proposed procedure. We then demonstrate application of the algorithm to a study of dementia, the Nun Study, consisting of intermittently-observed elderly subjects in one of four possible states corresponding to intact cognition, impaired cognition, dementia, and death. We show that the proposed stochastic expectation-maximization algorithm substantially reduces bias in model parameter estimates compared to an alternative approach used in the literature, minimal path estimation. We conclude that in estimating intermittently observed semi-Markov models, the proposed approach is a computationally feasible and accurate estimation procedure that leads to substantial improvements in back transition estimates.

Energy levels and radiative transition rates for Ge XXXI, As XXXII, and Se XXXIII

NASA Astrophysics Data System (ADS)

Aggarwal, Sunny; Singh, J.; Jha, A. K. S.; Mohan, Man

2014-07-01

Fine-structure energies of the 67 levels belonging to the 1s2, 1s 2l, 1s3l, 1s4l, 1s5l, and 1s6l configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.

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

PubMed

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

2016-03-08

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

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

PubMed Central

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

2016-01-01

We use continuum mechanics to calculate an entire least energy pathway of membrane fusion, from stalk formation, to pore creation, and through fusion pore enlargement. The model assumes that each structure in the pathway is axially symmetric. The static continuum stalk structure agrees quantitatively with experimental stalk architecture. Calculations show that in a stalk, the distal monolayer is stretched and the stored stretching energy is significantly less than the tilt energy of an unstretched distal monolayer. The string method is used to determine the energy of the transition barriers that separate intermediate states and the dynamics of two bilayers as they pass through them. Hemifusion requires a small amount of energy independently of lipid composition, while direct transition from a stalk to a fusion pore without a hemifusion intermediate is highly improbable. Hemifusion diaphragm expansion is spontaneous for distal monolayers containing at least two lipid components, given sufficiently negative diaphragm spontaneous curvature. Conversely, diaphragms formed from single-component distal monolayers do not expand without the continual injection of energy. We identify a diaphragm radius, below which central pore expansion is spontaneous. For larger diaphragms, prior studies have shown that pore expansion is not axisymmetric, and here our calculations supply an upper bound for the energy of the barrier against pore formation. The major energy-requiring deformations in the steps of fusion are: widening of a hydrophobic fissure in bilayers for stalk formation, splay within the expanding hemifusion diaphragm, and fissure widening initiating pore formation in a hemifusion diaphragm. PMID:26958888

Coastal Wind and Turbulence Observations during the Morning and Evening Transitions over Tropical Terrain

DOE PAGES

Jensen, Derek D.; Price, Timothy A.; Nadeau, Daniel F.; ...

2017-12-15

Data collected during a multiyear, wind-resource assessment over a multi-land-use coastal environment in Belize are used to study the development and decay of wind and turbulence through the morning and evening transitions. Observations were made on three tall masts, forming an inland transect of approximately 5 km. The wind distribution is found to be bimodal and governed by synoptic scales, with onshore and offshore flow regimes. The behavior between the coastal and inland sites is found to be very similar when the flow is directed offshore; for onshore flow, stark differences occur. The mean wind speed at the coastal sitemore » is approximately 20% greater than the most inland site and is nearly constant throughout the diurnal cycle. Furthermore, for both flow regimes, the influence of the land–sea breeze circulation is inconsequential relative to the large-scale synoptic forcing. Composite time series are used to study the evolution of sensible heat flux and turbulence kinetic energy (TKE) throughout the morning and evening transitions. The TKE budget reveals that at the coastal site mechanical production of TKE is much more important than buoyant production. This allows for the unexpected case in which TKE increases through the ET despite the decrease of buoyant TKE production. Multiresolution flux decomposition is used to further study this phenomenon as well as the evolution of the sensible heat flux at differing time scales. We present an idealized schematic to illustrate the timing and structure of the morning and evening transitions for an inland site and a coastal site that are subjected to similar synoptic forcing.« less

Coastal Wind and Turbulence Observations during the Morning and Evening Transitions over Tropical Terrain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jensen, Derek D.; Price, Timothy A.; Nadeau, Daniel F.

Data collected during a multiyear, wind-resource assessment over a multi-land-use coastal environment in Belize are used to study the development and decay of wind and turbulence through the morning and evening transitions. Observations were made on three tall masts, forming an inland transect of approximately 5 km. The wind distribution is found to be bimodal and governed by synoptic scales, with onshore and offshore flow regimes. The behavior between the coastal and inland sites is found to be very similar when the flow is directed offshore; for onshore flow, stark differences occur. The mean wind speed at the coastal sitemore » is approximately 20% greater than the most inland site and is nearly constant throughout the diurnal cycle. Furthermore, for both flow regimes, the influence of the land–sea breeze circulation is inconsequential relative to the large-scale synoptic forcing. Composite time series are used to study the evolution of sensible heat flux and turbulence kinetic energy (TKE) throughout the morning and evening transitions. The TKE budget reveals that at the coastal site mechanical production of TKE is much more important than buoyant production. This allows for the unexpected case in which TKE increases through the ET despite the decrease of buoyant TKE production. Multiresolution flux decomposition is used to further study this phenomenon as well as the evolution of the sensible heat flux at differing time scales. We present an idealized schematic to illustrate the timing and structure of the morning and evening transitions for an inland site and a coastal site that are subjected to similar synoptic forcing.« less

Equipartition terms in transition path ensemble: Insights from molecular dynamics simulations of alanine dipeptide.

PubMed

Li, Wenjin

2018-02-28

Transition path ensemble consists of reactive trajectories and possesses all the information necessary for the understanding of the mechanism and dynamics of important condensed phase processes. However, quantitative description of the properties of the transition path ensemble is far from being established. Here, with numerical calculations on a model system, the equipartition terms defined in thermal equilibrium were for the first time estimated in the transition path ensemble. It was not surprising to observe that the energy was not equally distributed among all the coordinates. However, the energies distributed on a pair of conjugated coordinates remained equal. Higher energies were observed to be distributed on several coordinates, which are highly coupled to the reaction coordinate, while the rest were almost equally distributed. In addition, the ensemble-averaged energy on each coordinate as a function of time was also quantified. These quantitative analyses on energy distributions provided new insights into the transition path ensemble.

Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions.

PubMed

Vosmeer, C Ruben; Kooi, Derk P; Capoferri, Luigi; Terpstra, Margreet M; Vermeulen, Nico P E; Geerke, Daan P

2016-01-01

Recently an iterative method was proposed to enhance the accuracy and efficiency of ligand-protein binding affinity prediction through linear interaction energy (LIE) theory. For ligand binding to flexible Cytochrome P450s (CYPs), this method was shown to decrease the root-mean-square error and standard deviation of error prediction by combining interaction energies of simulations starting from different conformations. Thereby, different parts of protein-ligand conformational space are sampled in parallel simulations. The iterative LIE framework relies on the assumption that separate simulations explore different local parts of phase space, and do not show transitions to other parts of configurational space that are already covered in parallel simulations. In this work, a method is proposed to (automatically) detect such transitions during the simulations that are performed to construct LIE models and to predict binding affinities. Using noise-canceling techniques and splines to fit time series of the raw data for the interaction energies, transitions during simulation between different parts of phase space are identified. Boolean selection criteria are then applied to determine which parts of the interaction energy trajectories are to be used as input for the LIE calculations. Here we show that this filtering approach benefits the predictive quality of our previous CYP 2D6-aryloxypropanolamine LIE model. In addition, an analysis is performed of the gain in computational efficiency that can be obtained from monitoring simulations using the proposed filtering method and by prematurely terminating simulations accordingly.

Energy Levels, Lifetimes, and Transition Rates for P-like Ions from Cr X to Zn XVI from Large-scale Relativistic Multiconfiguration Calculations

NASA Astrophysics Data System (ADS)

Wang, K.; Jönsson, P.; Gaigalas, G.; Radžiūtė, L.; Rynkun, P.; Del Zanna, G.; Chen, C. Y.

2018-04-01

The fully relativistic multiconfiguration Dirac–Hartree–Fock method is used to compute excitation energies and lifetimes for the 143 lowest states of the 3{s}23{p}3, 3s3p 4, 3{s}23{p}23d, 3s3p 33d, 3p 5, 3{s}23p3{d}2 configurations in P-like ions from Cr X to Zn XVI. Multipole (E1, M1, E2, M2) transition rates, line strengths, oscillator strengths, and branching fractions among these states are also given. Valence–valence and core–valence electron correlation effects are systematically accounted for using large basis function expansions. Computed excitation energies are compared with the NIST ASD and CHIANTI compiled values and previous calculations. The mean average absolute difference, removing obvious outliers, between computed and observed energies for the 41 lowest identified levels in Fe XII, is only 0.057%, implying that the computed energies are accurate enough to aid identification of new emission lines from the Sun and other astrophysical sources. The amount of energy and transition data of high accuracy are significantly increased for several P-like ions of astrophysics interest, where experimental data are still very scarce.

Determining Empirical Stellar Masses and Radii from Transits and Gaia Parallaxes as Illustrated by Spitzer Observations of KELT-11b

NASA Astrophysics Data System (ADS)

Beatty, Thomas G.; Stevens, Daniel J.; Collins, Karen A.; Colón, Knicole D.; James, David J.; Kreidberg, Laura; Pepper, Joshua; Rodriguez, Joseph E.; Siverd, Robert J.; Stassun, Keivan G.; Kielkopf, John F.

2017-07-01

Using the Spitzer Space Telescope, we observed a transit at 3.6 μm of KELT-11b. We also observed three partial planetary transits from the ground. We simultaneously fit these observations, ground-based photometry from Pepper et al., radial velocity data from Pepper et al., and a spectral energy distribution (SED) model using catalog magnitudes and the Hipparcos parallax to the system. The only significant difference between our results and those of Pepper et al. is that we find the orbital period to be shorter by 37 s, 4.73610 ± 0.00003 versus 4.73653 ± 0.00006 days, and we measure a transit center time of {{BJD}}{TDB} 2457483.4310 ± 0.0007, which is 42 minutes earlier than predicted. Using our new photometry, we precisely measure the density of the star KELT-11 to 4%. By combining the parallax and catalog magnitudes of the system, we are able to measure the radius of KELT-11b essentially empirically. Coupled with the stellar density, this gives a parallactic mass and radius of 1.8 {M}⊙ and 2.9 {R}⊙ , which are each approximately 1σ higher than the adopted model-estimated mass and radius. If we conduct the same fit using the expected parallax uncertainty from the final Gaia data release, this difference increases to 4σ. The differences between the model and parallactic masses and radii for KELT-11 demonstrate the role that precise Gaia parallaxes, coupled with simultaneous photometric, radial velocity, and SED fitting, can play in determining stellar and planetary parameters. With high-precision photometry of transiting planets and high-precision Gaia parallaxes, the parallactic mass and radius uncertainties of stars become 1% and 3%, respectively. TESS is expected to discover 60-80 systems where these measurements will be possible. These parallactic mass and radius measurements have uncertainties small enough that they may provide observational input into the stellar models themselves.

High energy primary electron spectrum observed by the emulsion chamber

NASA Technical Reports Server (NTRS)

Nishimura, J.; Fujii, M.; Aizu, H.; Hiraiwa, N.; Taira, T.; Kobayashi, T.; Niu, K.; Koss, T. A.; Lord, J. J.; Golden, R. L.

1978-01-01

A detector of the emulsion chamber type is used to measure the energy spectrum of cosmic-ray electrons. Two large emulsion chambers, each having an area of 40 by 50 sq cm, are exposed for about 25.5 hr at an average pressure altitude of 3.9 mbar. About 500 high-energy cascades (no less than about 600 GeV) are detected by searching for dark spots on the X-ray films. A power-law energy dependence formula is derived for the spectrum of primary cosmic-ray electrons in the energy region over 100 GeV. The results are in good agreement with the transition curves obtained previously by theoretical and Monte Carlo calculations.

Cook, Green, Maskelyne and the 1769 transit of Venus: the legacy of the Tahitian observations

NASA Astrophysics Data System (ADS)

Orchiston, Wayne

2017-04-01

The 1769 transit of Venus was seen by astronomers as an important opportunity to pin down a figure for the solar parallax (P), and thus establish the Astronomical Unit and the size of the Solar System. Britain therefore mounted a number of expeditions, the most important of which was led by Lieutenant James Cook in the Endeavour, with Tahiti as the intended observing location. In this paper we trace the planning that preceded this expedition; provide biographical accounts of the Endeavour's two astronomers and others who also carried out astronomical observations; describe the astronomical instruments taken on the voyage; document the various transit observations; and track the post-transit path of the Endeavour as it returned to England. We then discuss the values of P that derived from this expedition and others, and end the paper by examining a number of research issues relating to the astronomical aspects of Cook's voyage that have yet to be resolved.

Ground-based transit observations of the super-Earth GJ 1214 b

NASA Astrophysics Data System (ADS)

Cáceres, C.; Kabath, P.; Hoyer, S.; Ivanov, V. D.; Rojo, P.; Girard, J. H.; Miller-Ricci Kempton, E.; Fortney, J. J.; Minniti, D.

2014-05-01

Context. GJ 1214 b is one of the few known transiting super-Earth-sized exoplanets with a measured mass and radius. It orbits an M-dwarf, only 14.55 pc away, making it a favorable candidate for follow-up studies. However, the composition of GJ 1214 b's mysterious atmosphere has yet to be fully unveiled. Aims: Our goal is to distinguish between the various proposed atmospheric models to explain the properties of GJ 1214 b: hydrogen-rich or hydrogen-He mix, or a heavy molecular weight atmosphere with reflecting high clouds, as latest studies have suggested. Methods: Wavelength-dependent planetary radii measurements from the transit depths in the optical/NIR are the best tool to investigate the atmosphere of GJ 1214 b. We present here (i) photometric transit observations with a narrow-band filter centered on 2.14 μm and a broad-band I-Bessel filter centered on 0.8665 μm, and (ii) transmission spectroscopy in the H and K atmospheric windows that cover three transits. The photometric and spectrophotometric time series obtained were analyzed with MCMC simulations to measure the planetary radii as a function of wavelength. We determined radii ratios of 0.1173-0.0024+0.0022 for I-Bessel and 0.11735-0.00076+0.00072 at 2.14 μm. Results: Our measurements indicate a flat transmission spectrum, in agreement with the last atmospheric models that favor featureless spectra with clouds and high molecular weight compositions. Based on observations obtained at the Southern Astrophysical Research (SOAR) Telescope, which is a joint project of the Ministério da Ciência, Tecnologia, e Inovação (MCTI) da República Federativa do Brasil, the US National Optical Astronomy Observatory (NOAO), the University of North Carolina at Chapel Hill (UNC), and Michigan State University (MSU). SofI results are based on observations made with ESO Telescopes at the La Silla Paranal Observatory under programme ID 087.C-0509.Tables of the lightcurve data are only available at the CDS via anonymous

Thermodynamic free energy methods to investigate shape transitions in bilayer membranes.

PubMed

Ramakrishnan, N; Tourdot, Richard W; Radhakrishnan, Ravi

2016-06-01

The conformational free energy landscape of a system is a fundamental thermodynamic quantity of importance particularly in the study of soft matter and biological systems, in which the entropic contributions play a dominant role. While computational methods to delineate the free energy landscape are routinely used to analyze the relative stability of conformational states, to determine phase boundaries, and to compute ligand-receptor binding energies its use in problems involving the cell membrane is limited. Here, we present an overview of four different free energy methods to study morphological transitions in bilayer membranes, induced either by the action of curvature remodeling proteins or due to the application of external forces. Using a triangulated surface as a model for the cell membrane and using the framework of dynamical triangulation Monte Carlo, we have focused on the methods of Widom insertion, thermodynamic integration, Bennett acceptance scheme, and umbrella sampling and weighted histogram analysis. We have demonstrated how these methods can be employed in a variety of problems involving the cell membrane. Specifically, we have shown that the chemical potential, computed using Widom insertion, and the relative free energies, computed using thermodynamic integration and Bennett acceptance method, are excellent measures to study the transition from curvature sensing to curvature inducing behavior of membrane associated proteins. The umbrella sampling and WHAM analysis has been used to study the thermodynamics of tether formation in cell membranes and the quantitative predictions of the computational model are in excellent agreement with experimental measurements. Furthermore, we also present a method based on WHAM and thermodynamic integration to handle problems related to end-point-catastrophe that are common in most free energy methods.

Exploring transition pathway and free-energy profile of large-scale protein conformational change by combining normal mode analysis and umbrella sampling molecular dynamics.

PubMed

Wang, Jinan; Shao, Qiang; Xu, Zhijian; Liu, Yingtao; Yang, Zhuo; Cossins, Benjamin P; Jiang, Hualiang; Chen, Kaixian; Shi, Jiye; Zhu, Weiliang

2014-01-09

Large-scale conformational changes of proteins are usually associated with the binding of ligands. Because the conformational changes are often related to the biological functions of proteins, understanding the molecular mechanisms of these motions and the effects of ligand binding becomes very necessary. In the present study, we use the combination of normal-mode analysis and umbrella sampling molecular dynamics simulation to delineate the atomically detailed conformational transition pathways and the associated free-energy landscapes for three well-known protein systems, viz., adenylate kinase (AdK), calmodulin (CaM), and p38α kinase in the absence and presence of respective ligands. For each protein under study, the transient conformations along the conformational transition pathway and thermodynamic observables are in agreement with experimentally and computationally determined ones. The calculated free-energy profiles reveal that AdK and CaM are intrinsically flexible in structures without obvious energy barrier, and their ligand binding shifts the equilibrium from the ligand-free to ligand-bound conformation (population shift mechanism). In contrast, the ligand binding to p38α leads to a large change in free-energy barrier (ΔΔG ≈ 7 kcal/mol), promoting the transition from DFG-in to DFG-out conformation (induced fit mechanism). Moreover, the effect of the protonation of D168 on the conformational change of p38α is also studied, which reduces the free-energy difference between the two functional states of p38α and thus further facilitates the conformational interconversion. Therefore, the present study suggests that the detailed mechanism of ligand binding and the associated conformational transition is not uniform for all kinds of proteins but correlated to their respective biological functions.

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice.

PubMed

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W; Poole, Peter H

2016-12-14

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Potential energy landscape of the apparent first-order phase transition between low-density and high-density amorphous ice

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Sciortino, Francesco; Starr, Francis W.; Poole, Peter H.

2016-12-01

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics to describe supercooled liquids and glasses. Here we use the PEL formalism and computer simulations to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) at different temperatures. We employ the ST2 water model for which the LDA-HDA transformations are remarkably sharp, similar to what is observed in experiments, and reminiscent of a first-order phase transition. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that low-density liquid (LDL) configurations are located in the same megabasin as LDA, and that high-density liquid (HDL) configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid is different from the path followed by the amorphous solid. At higher pressure, we also study the liquid-to-ice-VII first-order phase transition, and find that the behavior of the PEL properties across this transition is qualitatively similar to the changes found during the LDA-HDA transformation. This similarity supports the interpretation that the LDA-HDA transformation is a first-order phase transition between out-of-equilibrium states. Finally, we compare the PEL properties explored during the LDA-HDA transformations in ST2 water with those reported previously for SPC/E water, for which the LDA-HDA transformations are rather smooth. This comparison illuminates the previous work showing that, at accessible computer times scales, a liquid-liquid phase transition occurs in the case of ST2 water, but not for SPC/E water.

Laboratory Measurements of the K-Shell Transition Energies in L-Shell Ions of Si and S

NASA Technical Reports Server (NTRS)

Hell, N.; Brown, G.V.; Wilms, J.; Grinberg, V.; Clementson, J.; Liedahl, D.; Porter, F. S.; Kelley, R. L.; Kilbourne, C. A.; Beiersrdorfer, P.

2016-01-01

We have measured the energies of the strongest 1s-2 l (azimuthal quantum number) (l = s, p (s, p are angular momentum states)) transitions in He- through Ne-like silicon and sulfur ions to an accuracy of less than 1 electronvolt using the Lawrence Livermore National Laboratory's electron beam ion traps, EBIT-I and SuperEBIT, and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify and measure the energies of 18 and 21 X-ray features from silicon and sulfur, respectively. The results are compared to new Flexible Atomic Code calculations and to semi-relativistic Hartree-Fock calculations by Palmeri et al. (2008). These results will be especially useful for wind diagnostics in high-mass X-ray binaries, such as Vela X-1 and Cygnus X-1, where high-resolution spectral measurements using Chandra's high-energy transmission grating has made it possible to measure Doppler shifts of 100 kilometers per second. The accuracy of our measurements is consistent with that needed to analyze Chandra observations, exceeding Chandra's 100 kilometers per second limit. Hence, the results presented here not only provide benchmarks for theory, but also accurate rest energies that can be used to determine the bulk motion of material in astrophysical sources. We show the usefulness of our results by applying them to redetermine Doppler shifts from Chandra observations of Vela X-1.

Transition energy measurements in hydrogenlike and heliumlike ions strongly supporting bound-state QED calculations

NASA Astrophysics Data System (ADS)

Kubiček, K.; Mokler, P. H.; Mäckel, V.; Ullrich, J.; López-Urrutia, J. R. Crespo

2014-09-01

For the hydrogenlike Ar17+ ion, the 1s Lamb shift was absolutely determined with a 1.4% accuracy based on Lyman-α wavelength measurements that have negligible uncertainties from nuclear size effects. The result agrees with state-of-the-art quantum electrodynamics (QED) calculations, and demonstrates the suitability of Lyman-α transitions in highly charged ions as x-ray energy standards, accurate at the five parts-per-million level. For the heliumlike Ar16+ ion the transition energy for the 1s2p1P1→1s21S0 line was also absolutely determined on an even higher level of accuracy. Additionally, we present relative measurements of transitions in S15+,S14+, and Fe24+ ions. The data for the heliumlike S14+,Ar16+, and Fe24+ ions stringently confirm advanced bound-state QED predictions including screened QED terms that had recently been contested.

Operator product expansion in Liouville field theory and Seiberg-type transitions in log-correlated random energy models

NASA Astrophysics Data System (ADS)

Cao, Xiangyu; Le Doussal, Pierre; Rosso, Alberto; Santachiara, Raoul

2018-04-01

We study transitions in log-correlated random energy models (logREMs) that are related to the violation of a Seiberg bound in Liouville field theory (LFT): the binding transition and the termination point transition (a.k.a., pre-freezing). By means of LFT-logREM mapping, replica symmetry breaking and traveling-wave equation techniques, we unify both transitions in a two-parameter diagram, which describes the free-energy large deviations of logREMs with a deterministic background log potential, or equivalently, the joint moments of the free energy and Gibbs measure in logREMs without background potential. Under the LFT-logREM mapping, the transitions correspond to the competition of discrete and continuous terms in a four-point correlation function. Our results provide a statistical interpretation of a peculiar nonlocality of the operator product expansion in LFT. The results are rederived by a traveling-wave equation calculation, which shows that the features of LFT responsible for the transitions are reproduced in a simple model of diffusion with absorption. We examine also the problem by a replica symmetry breaking analysis. It complements the previous methods and reveals a rich large deviation structure of the free energy of logREMs with a deterministic background log potential. Many results are verified in the integrable circular logREM, by a replica-Coulomb gas integral approach. The related problem of common length (overlap) distribution is also considered. We provide a traveling-wave equation derivation of the LFT predictions announced in a precedent work.

Impacts of land cover transitions on surface temperature in China based on satellite observations

NASA Astrophysics Data System (ADS)

Zhang, Yuzhen; Liang, Shunlin

2018-02-01

China has experienced intense land use and land cover changes during the past several decades, which have exerted significant influences on climate change. Previous studies exploring related climatic effects have focused mainly on one or two specific land use changes, or have considered all land use and land cover change types together without distinguishing their individual impacts, and few have examined the physical processes of the mechanism through which land use changes affect surface temperature. However, in this study, we considered satellite-derived data of multiple land cover changes and transitions in China. The objective was to obtain observational evidence of the climatic effects of land cover transitions in China by exploring how they affect surface temperature and to what degree they influence it through the modification of biophysical processes, with an emphasis on changes in surface albedo and evapotranspiration (ET). To achieve this goal, we quantified the changes in albedo, ET, and surface temperature in the transition areas, examined their correlations with temperature change, and calculated the contributions of different land use transitions to surface temperature change via changes in albedo and ET. Results suggested that land cover transitions from cropland to urban land increased land surface temperature (LST) during both daytime and nighttime by 0.18 and 0.01 K, respectively. Conversely, the transition of forest to cropland tended to decrease surface temperature by 0.53 K during the day and by 0.07 K at night, mainly through changes in surface albedo. Decreases in both daytime and nighttime LST were observed over regions of grassland to forest transition, corresponding to average values of 0.44 and 0.20 K, respectively, predominantly controlled by changes in ET. These results highlight the necessity to consider the individual climatic effects of different land cover transitions or conversions in climate research studies. This short

Observation of microscopic dynamics of phase transition in ferroelectric crystals using fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Sedarous, Salah S.

1996-03-01

Despite the large quantity of data on the macroscopic changes in the physical properties of ferroelectric crystals during phase transition, there is a continued need for understanding their microscopic origin. Here we describe a novel method for examining the microscopic dynamics of the ferroelectric phase transition using time-resolved fluorescence spectroscopy. The fluorescence properties of organic chromophores embedded in the ferroelectric crystals triglycine sulfate and potassium dihydrogen phosphate are altered in response to the structural phase transitions. The lifetime and the fractional intensity decay show large changes around Tc and the order of the phase transition is readily recovered (first or second order). To explain the fluorescence lifetime data we present a novel theoretical model based on the concept of polaritons in these crystals. Deactivation of the excited state chromophore involves the participation of the vibrational modes of the chromophore. These modes are coupled to the polarization dispersion of the matrix and facilitate the coupling of the excited state to the collective modes in the crystal. The net result is the flow of energy from the excited state chromophore to the lattice phonon. The data indicate that changes in fluorescence lifetime can be used to examine directly the collective modes in these crystals. Our work provides important insight into the emergence of macroscopic phase transition behavior out of microscopic fluctuations.

Disentangling flows in the solar transition region

NASA Astrophysics Data System (ADS)

Zacharias, P.; Hansteen, V. H.; Leenaarts, J.; Carlsson, M.; Gudiksen, B. V.

2018-06-01

Context. The measured average velocities in solar and stellar spectral lines formed at transition region temperatures have been difficult to interpret. The dominant redshifts observed in the lower transition region naturally leads to the question of how the upper layers of the solar (and stellar) atmosphere can be maintained. Likewise, no ready explanation has been made for the average blueshifts often found in upper transition region lines. However, realistic three-dimensional radiation magnetohydrodynamics (3D rMHD) models of the solar atmosphere are able to reproduce the observed dominant line shifts and may thus hold the key to resolve these issues. Aims: These new 3D rMHD simulations aim to shed light on how mass flows between the chromosphere and corona and on how the coronal mass is maintained. These simulations give new insights into the coupling of various atmospheric layers and the origin of Doppler shifts in the solar transition region and corona. Methods: The passive tracer particles, so-called corks, allow the tracking of parcels of plasma over time and thus the study of changes in plasma temperature and velocity not only locally, but also in a co-moving frame. By following the trajectories of the corks, we can investigate mass and energy flows and understand the composition of the observed velocities. Results: Our findings show that most of the transition region mass is cooling. The preponderance of transition region redshifts in the model can be explained by the higher percentage of downflowing mass in the lower and middle transition region. The average upflows in the upper transition region can be explained by a combination of both stronger upflows than downflows and a higher percentage of upflowing mass. The most common combination at lower and middle transition region temperatures are corks that are cooling and traveling downward. For these corks, a strong correlation between the pressure gradient along the magnetic field line and the velocity

Low-energy plasma observations at synchronous orbit

NASA Technical Reports Server (NTRS)

Lennartsson, W.; Reasoner, D. L.

1978-01-01

The University of California at San Diego Auroral Particles Experiment on the ATS 6 satellite in synchronous orbit has detected a low-energy plasma population which is separate and distinct from both the ring current and the plasma sheet populations. The density and temperature of this low-energy population are highly variable, with temperatures in the range kT = 1-30 eV and densities ranging from less than 1 per cu cm to more than 10 per cu cm. The occurrence of a dense low-energy plasma is most likely in the afternoon and dusk local time sectors, whereas n greater than 1 per cu cm is seen in the local night sector only during magnetically quiet periods. These observations suggest that this plasma is the outer zone of the plasmasphere. During magnetically active periods this low-energy plasma is often observed flowing sunward. In the dusk sector, strong sunward plasma flow is often observed for 1-2 hours prior to the onset of a substorm-associated particle injection.

Lyman-alpha transit observations of the warm rocky exoplanet GJ1132b

NASA Astrophysics Data System (ADS)

Waalkes, William; Berta-Thompson, Zachory K.; Charbonneau, David; Irwin, Jonathan; Newton, Elisabeth; Dittmann, Jason; Bourrier, Vincent; Ehrenreich, David; Kempton, Eliza; Will

2018-06-01

GJ1132b is one of the few known Earth-sized planets, and at 12pc away it is also one of the closest known transiting planets. With an equilibrium temperature of 500 K, this planet is too hot to be habitable but we can use it to learn about the presence and volatile content of rocky planet atmospheres around M dwarf stars. Using Hubble STIS spectra obtained during primary transit, we search for a Lyman-α transit. If we were to observe a deep Lyman-α transit, that would indicate the presence of a neutral hydrogen envelope flowing from GJ1132b. On the other hand, ruling out deep absorption from neutral hydrogen may indicate that this planet has either retained its volatiles or lost them very early in the star’s life. We carry out this analysis by extracting 1D spectra from the STIS pipeline, splitting the time-tagged spectra into higher resolution samples, and producing light curves of the red and blue wings of the Lyman-α line. We fit for the baseline stellar flux and transit depths in order to constrain the characteristics of the cloud of neutral hydrogen gas that may surround the planet. We do not conclusively detect a transit but the results provide an upper limit for the transit depth. We also analyze the stellar variability and Lyman-α spectrum of GJ1132, a slowly-rotating 0.18 solar mass M dwarf with previously uncharacterized UV activity. Understanding the role that UV variability plays in planetary atmospheres and volatile retention is crucial to assess atmospheric evolution and the habitability of cooler rocky planets.

Using High Energy Precipitation for Magnetic Mapping in the Nightside Transition Region During Dynamic Events

NASA Astrophysics Data System (ADS)

Spanswick, E.

2017-12-01

Identifying the magnetic footprint of a satellite can be done using the in situ observations together with some ionospheric or low-altitude satellite observation to argue that the two measurements were made on the same field line. Nishimura et al. [2011], e.g., correlated a time series of chorus wave power near the magnetic equator with the time series of intensities of every pixel of a is roughly magnetically conjugate ASI. Often, the pattern of correlation shows a well-defined peak at the location of the satellite's magnetic footprint. Their results cannot be replicated during dynamic events (e.g., substorms), because the required auroral forms do not occur at such times. It would be important if we could make mappings with such confidence during active times. The Transition Region Explorer (TREx), which is presently being implemented, is a new ground-based facility that will remote sense electron precipitation across 3 hours of MLT and 12 degrees of magnetic latitude spanning the auroral zone in western Canada. TREx includes the world's first imaging riometers array with a contiguous field of view large enough to seamlessly track the spatio-temporal evolution of high energy electron precipitation at mesoscales. Two studies motivated the TREx riometers array. First, Baker et al. [1981] demonstrated riometer absorption is an excellent proxy for the electron energy flux integrated from 30 keV to 200keV keV at the magnetic equator on the flux tube corresponding to the location of that riometers. Second, Spanswick et al. [2007] showed the correlation between the riometers absorption and the integrated electron energy flux near the magnetic equator peaked when the satellite was nearest to conjugate to the riometers. Here we present observations using CANOPUS single beam riometers and CRRES MEB to illustrate how the relative closeness of the footpoint of an equatorial spacecraft can be assessed using high energy precipitation. As well, we present the capabilities of

CEN A observation at MeV-energies

NASA Technical Reports Server (NTRS)

Ballmoos, P. V.; Diehl, R.; Schoenfelder, V.

1985-01-01

During a balloon flight with the MPI Compton telescope from Uberaba/Brasil gamma-ray emission from the direction of Cen A was observed at MeV-energies. The observed flux connects to the X-ray spectrum of Cen A beyond 0.7 MeV and has a statistical significance of 4.1. The extension beyond 3 MeV has a significance of 3.8. Possible interpretations of the energy spectrum are discussed.

Bifurcations in the theory of current transfer to cathodes of DC discharges and observations of transitions between different modes

NASA Astrophysics Data System (ADS)

Bieniek, M. S.; Santos, D. F. N.; Almeida, P. G. C.; Benilov, M. S.

2018-04-01

General scenarios of transitions between different spot patterns on electrodes of DC gas discharges and their relation to bifurcations of steady-state solutions are analyzed. In the case of cathodes of arc discharges, it is shown that any transition between different modes of current transfer is related to a bifurcation of steady-state solutions. In particular, transitions between diffuse and spot modes on axially symmetric cathodes, frequently observed in the experiment, represent an indication of the presence of pitchfork or fold bifurcations of steady-state solutions. Experimental observations of transitions on cathodes of DC glow microdischarges are analyzed and those potentially related to bifurcations of steady-state solutions are identified. The relevant bifurcations are investigated numerically and the computed patterns are found to conform to those observed in the course of the corresponding transitions in the experiment.

Optical transition radiation used in the diagnostic of low energy and low current electron beams in particle accelerators.

PubMed

Silva, T F; Bonini, A L; Lima, R R; Maidana, N L; Malafronte, A A; Pascholati, P R; Vanin, V R; Martins, M N

2012-09-01

Optical transition radiation (OTR) plays an important role in beam diagnostics for high energy particle accelerators. Its linear intensity with beam current is a great advantage as compared to fluorescent screens, which are subject to saturation. Moreover, the measurement of the angular distribution of the emitted radiation enables the determination of many beam parameters in a single observation point. However, few works deals with the application of OTR to monitor low energy beams. In this work we describe the design of an OTR based beam monitor used to measure the transverse beam charge distribution of the 1.9-MeV electron beam of the linac injector of the IFUSP microtron using a standard vision machine camera. The average beam current in pulsed operation mode is of the order of tens of nano-Amps. Low energy and low beam current make OTR observation difficult. To improve sensitivity, the beam incidence angle on the target was chosen to maximize the photon flux in the camera field-of-view. Measurements that assess OTR observation (linearity with beam current, polarization, and spectrum shape) are presented, as well as a typical 1.9-MeV electron beam charge distribution obtained from OTR. Some aspects of emittance measurement using this device are also discussed.

Ro-vibronic transition intensities for triatomic molecules from the exact kinetic energy operator; electronic spectrum for the C̃ 1B2 ← X̃ 1A1 transition in SO2.

PubMed

Zak, Emil J; Tennyson, Jonathan

2017-09-07

A procedure for calculating ro-vibronic transition intensities for triatomic molecules within the Born-Oppenheimer approximation is reported. Ro-vibrational energy levels and wavefunctions are obtained with the DVR3D suite, which solves the nuclear motion problem with an exact kinetic energy operator. Absolute transition intensities are calculated both with the Franck-Condon approximation and with a full transition dipole moment surface. The theoretical scheme is tested on C̃  1 B 2  ← X̃  1 A 1 ro-vibronic transitions of SO 2 . Ab initio potential energy and dipole moment surfaces are generated for this purpose. The calculated ro-vibronic transition intensities and cross sections are compared with the available experimental and theoretical data.

The Colorado Ultraviolet Transit Experiment (CUTE): Observing Mass Loss on Short-Period Exoplanets

NASA Astrophysics Data System (ADS)

Egan, Arika; Fleming, Brian; France, Kevin

2018-06-01

The Colorado Ultraviolet Transit Experiment (CUTE) is an NUV spectrograph packaged into a 6U CubeSat, designed to characterize the interaction between exoplanetary atmospheres and their host stars. CUTE will conduct a transit spectroscopy survey, gathering data over multiple transits on more than 12 short-period exoplanets with a range of masses and radii. The instrument will characterize the spectral properties of the transit light curves to < 1% depth sensitivity. The NUV is host to several high oscillator strength atomic and molecular absorption features predicted to exist in the upper atmospheres of these planets, including Mg I, Mg II, Fe II, and OH. The shape and evolution of these spectral light curves will be used to quantify mass loss rates, the stellar drives of that mass loss, and the possible existence of exoplanetary magnetic fiends. This poster presents the science motivation for CUTE, planned observation and data analysis methods, and expected results.

Baryogenesis via leptonic CP-violating phase transition

NASA Astrophysics Data System (ADS)

Pascoli, Silvia; Turner, Jessica; Zhou, Ye-Ling

2018-05-01

We propose a new mechanism to generate a lepton asymmetry based on the vacuum CP-violating phase transition (CPPT). This approach differs from classical thermal leptogenesis as a specific seesaw model, and its UV completion, need not be specified. The lepton asymmetry is generated via the dynamically realised coupling of the Weinberg operator during the phase transition. This mechanism provides a connection with low-energy neutrino observables.

Probing a steep EoS for dark energy with latest observations

NASA Astrophysics Data System (ADS)

Jaber, Mariana; Macorra, Axel de la

2018-01-01

We present a parametrization for the Dark Energy Equation of State "EoS" which has a rich structure, performing a transition at pivotal redshift zT between the present day value w0 to an early time wi =wa +w0 ≡ w(z ≫ 0) with a steepness given in terms of q parameter. The proposed parametrization is w =w0 +wa(z /zT) q /(1 +(z /zT)) q , with w0, wi, q and zT constant parameters. It reduces to the widely used EoS w =w0 +wa(1 - a) for zT = q = 1 . This transition is motivated by scalar field dynamics such as for example quintessence models. We study if a late time transition is favored by BAO measurements combined with local determination of H0 and information from the CMB. We find that our dynamical DE model allows to simultaneously fit H0 from local determinations and Planck CMB measurements, alleviating the tension obtained in a ΛCDM model. We obtain a smaller χ2 in our DE model than in ΛCDM showing that a dynamical DE is preferred with a reduction of 4.8%, 20.2% and 42.8% using BAO + H0, BAO + CMB and BAO + CMB + H0 datasets, respectively. However due to the increased number of free parameters in the EoS information criteria favors ΛCDM over our DE model at this stage. Nevertheless it is crucial to obtain the dynamics of DE from the observational data to show the path for theoretical DE models based on fundamental physics.

Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111).

PubMed

Geweke, Jan; Shirhatti, Pranav R; Rahinov, Igor; Bartels, Christof; Wodtke, Alec M

2016-08-07

In this work we seek to examine the nature of collisional energy transfer between HCl and Au(111) for nonreactive scattering events that sample geometries near the transition state for dissociative adsorption by varying both the vibrational and translational energy of the incident HCl molecules in the range near the dissociation barrier. Specifically, we report absolute vibrational excitation probabilities for HCl(v = 0 → 1) and HCl(v = 1 → 2) scattering from clean Au(111) as a function of surface temperature and incidence translational energy. The HCl(v = 2 → 3) channel could not be observed-presumably due to the onset of dissociation. The excitation probabilities can be decomposed into adiabatic and nonadiabatic contributions. We find that both contributions strongly increase with incidence vibrational state by a factor of 24 and 9, respectively. This suggests that V-T as well as V-EHP coupling can be enhanced near the transition state for dissociative adsorption at a metal surface. We also show that previously reported HCl(v = 0 → 1) excitation probabilities [Q. Ran et al., Phys. Rev. Lett. 98, 237601 (2007)]-50 times smaller than those reported here-were influenced by erroneous assignment of spectroscopic lines used in the data analysis.

Exploration of government policy structure which support and block energy transition process in indonesia using system dynamics model

NASA Astrophysics Data System (ADS)

Destyanto, A. R.; Silalahi, T. D.; Hidayatno, A.

2017-11-01

System dynamic modeling is widely used to predict and simulate the energy system in several countries. One of the applications of system dynamics is to evaluate national energy policy alternatives, and energy efficiency analysis. Using system dynamic modeling, this research aims to evaluate the energy transition policy that has been implemented in Indonesia on the past conversion program of kerosene to LPG for household cook fuel consumption, which considered as successful energy transition program implemented since 2007. This research is important since Indonesia considered not yet succeeded to execute another energy transition program on conversion program of oil fuel to gas fuel for transportation that has started since 1989. The aim of this research is to explore which policy intervention that has significant contribution to support or even block the conversion program. Findings in this simulation show that policy intervention to withdraw the kerosene supply and government push to increase production capacity of the support equipment industries (gas stove, regulator, and LPG Cylinder) is the main influence on the success of the program conversion program.

Characterizing Giant Exoplanets through Multiwavelength Transit Observations: HD 189733b

NASA Astrophysics Data System (ADS)

Kar, Aman; Cole, Jackson Lane; Gardner, Cristilyn N.; Garver, Bethany Ray; Jarka, Kyla L.; McGough, Aylin Marie; PeQueen, David Jeffrey; Rivera, Daniel Ivan; Kasper, David; Jang-Condell, Hannah; Kobulnicky, Henry; Dale, Daniel

2018-01-01

Observing the transits of exoplanets in multiple wavelengths enables the characterization of their atmospheres. We used the Wyoming Infrared Observatory to obtain high precision photometry on HD 189733b, one of the most studied exoplanets. We employed the photometry package AIJ and Bayesian statistics in our analysis. Preliminary results suggest a wavelength dependence in the size of the exoplanet, indicative of scattering in the atmosphere. This work is supported by the National Science Foundation under REU grant AST 1560461.

Converged G W quasiparticle energies for transition metal oxide perovskites

NASA Astrophysics Data System (ADS)

Ergönenc, Zeynep; Kim, Bongjae; Liu, Peitao; Kresse, Georg; Franchini, Cesare

2018-02-01

The ab initio calculation of quasiparticle (QP) energies is a technically and computationally challenging problem. In condensed matter physics, the most widely used approach to determine QP energies is the G W approximation. Although the G W method has been widely applied to many typical semiconductors and insulators, its application to more complex compounds such as transition metal oxide perovskites has been comparatively rare, and its proper use is not well established from a technical point of view. In this work, we have applied the single-shot G0W0 method to a representative set of transition metal oxide perovskites including 3 d (SrTiO3, LaScO3, SrMnO3, LaTiO3, LaVO3, LaCrO3, LaMnO3, and LaFeO3), 4 d (SrZrO3, SrTcO3, and Ca2RuO4 ), and 5 d (SrHfO3, KTaO3, and NaOsO3) compounds with different electronic configurations, magnetic orderings, structural characteristics, and band gaps ranging from 0.1 to 6.1 eV. We discuss the proper procedure to obtain well-converged QP energies and accurate band gaps within single-shot G0W0 by comparing the conventional approach based on an incremental variation of a specific set of parameters (number of bands, energy cutoff for the plane-wave expansion and number of k points) and the basis-set extrapolation scheme [J. Klimeš et al., Phys. Rev. B 90, 075125 (2014), 10.1103/PhysRevB.90.075125]. Although the conventional scheme is not supported by a formal proof of convergence, for most cases it delivers QP energies in reasonably good agreement with those obtained by the basis-set correction procedure and it is by construction more useful for calculating band structures. In addition, we have inspected the difference between the adoption of norm-conserving and ultrasoft potentials in G W calculations and found that the norm violation for the d shell can lead to less accurate results in particular for charge-transfer systems and late transition metals. A minimal statistical analysis indicates that the correlation of the G W data

Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces

NASA Astrophysics Data System (ADS)

Tokizaki, Chihiro; Yoshida, Takahiko; Takayanagi, Toshiyuki

2016-05-01

The cyclooctatetraene (COT) anion has a stable D4h structure that is similar to the transition state configurations of the neutral C-C bond-alternation (D4h ↔ D8h ↔ D4h) and ring-inversion (D2d ↔ D4h ↔ D2d) unimolecular reactions. The previously measured photodetachment spectrum of COT- revealed the reaction dynamics in the vicinity of the two transition states on the neutral potential energy surface. In this work, the photodetachment spectrum is calculated quantum mechanically on ab initio-level potential energy surfaces within a three degree-of-freedom reduced-dimensionality model. Very good agreement has been obtained between theory and experiment, providing reliable interpretations for the experimental spectrum. A detailed picture of the reactive molecular dynamics of the COT unimolecular reaction in the transition state region is also discussed.

Observed microphysical changes in Arctic mixed-phase clouds when transitioning from sea-ice to open ocean

NASA Astrophysics Data System (ADS)

Young, Gillian; Jones, Hazel M.; Crosier, Jonathan; Bower, Keith N.; Darbyshire, Eoghan; Taylor, Jonathan W.; Liu, Dantong; Allan, James D.; Williams, Paul I.; Gallagher, Martin W.; Choularton, Thomas W.

2016-04-01

The Arctic sea-ice is intricately coupled to the atmosphere[1]. The decreasing sea-ice extent with the changing climate raises questions about how Arctic cloud structure will respond. Any effort to answer these questions is hindered by the scarcity of atmospheric observations in this region. Comprehensive cloud and aerosol measurements could allow for an improved understanding of the relationship between surface conditions and cloud structure; knowledge which could be key in validating weather model forecasts. Previous studies[2] have shown via remote sensing that cloudiness increases over the marginal ice zone (MIZ) and ocean with comparison to the sea-ice; however, to our knowledge, detailed in-situ data of this transition have not been previously presented. In 2013, the Aerosol-Cloud Coupling and Climate Interactions in the Arctic (ACCACIA) campaign was carried out in the vicinity of Svalbard, Norway to collect in-situ observations of the Arctic atmosphere and investigate this issue. Fitted with a suite of remote sensing, cloud and aerosol instrumentation, the FAAM BAe-146 aircraft was used during the spring segment of the campaign (Mar-Apr 2013). One case study (23rd Mar 2013) produced excellent coverage of the atmospheric changes when transitioning from sea-ice, through the MIZ, to the open ocean. Clear microphysical changes were observed, with the cloud liquid-water content increasing by almost four times over the transition. Cloud base, depth and droplet number also increased, whilst ice number concentrations decreased slightly. The surface warmed by ~13 K from sea-ice to ocean, with minor differences in aerosol particle number (of sizes corresponding to Cloud Condensation Nuclei or Ice Nucleating Particles) observed, suggesting that the primary driver of these microphysical changes was the increased heat fluxes and induced turbulence from the warm ocean surface as expected. References: [1] Kapsch, M.L., Graversen, R.G. and Tjernström, M. Springtime

Phase transitions in mixed gas hydrates: experimental observations versus calculated data.

PubMed

Schicks, Judith M; Naumann, Rudolf; Erzinger, Jörg; Hester, Keith C; Koh, Carolyn A; Sloan, E Dendy

2006-06-15

This paper presents the phase behavior of multicomponent gas hydrate systems formed from primarily methane with small amounts of ethane and propane. Experimental conditions were typically in a pressure range between 1 and 6 MPa, and the temperature range was between 260 and 290 K. These multicomponent systems have been investigated using a variety of techniques including microscopic observations, Raman spectroscopy, and X-ray diffraction. These techniques, used in combination, allowed for measurement of the hydrate structure and composition, while observing the morphology of the hydrate crystals measured. The hydrate formed immediately below the three-phase line (V-L --> V-L-H) and contained crystals that were both light and dark in appearance. The light crystals, which visually were a single solid phase, showed a spectroscopic indication for the presence of occluded free gas in the hydrate. In contrast, the dark crystals were measured to be structure II (sII) without the presence of these occluded phases. Along with hydrate measurements near the decomposition line, an unexpected transformation process was visually observed at P-T-conditions in the stability field of the hydrates. Larger crystallites transformed into a foamy solid upon cooling over this transition line (between 5 and 10 K below the decomposition temperature). Below the transition line, a mixture of sI and sII was detected. This is the first time that these multicomponent systems have been investigated at these pressure and temperature conditions using both visual and spectroscopic techniques. These techniques enabled us to observe and measure the unexpected transformation process showing coexistence of different gas hydrate phases.

Comparison of protein and energy supplementation to mineral supplementation on feeding behavior of grazing cattle during the rainy to the dry season transition.

PubMed

Brandão, Rita Kelly Couto; de Carvalho, Gleidson Giordano Pinto; Silva, Robério Rodrigues; Dias, Daniel Lucas Santos; Mendes, Fabrício Bacelar Lima; Lins, Túlio Otávio Jardim D'Almeida; Filho, George Abreu; de Souza, Sinvaldo Oliveira; Barroso, Daniele Soares; de Almeida Rufino, Luana Marta; Tosto, Manuela Silva Libânio

2016-01-01

The aim of this study was to evaluate the effects of protein-energy or mineral supplementation on the ingestive behavior of dairy steers on pasture in the post-weaning phase during the rainy to dry season transition. Twenty-two ½ Holstein-Zebu dairy steers with an average initial body weight of 234 ± 16 kg were distributed into a completely randomized design into two groups: protein-energy supplementation and mineral supplementation offered ad libitum. The steers receiving protein-energy supplementation showed higher (P < 0.05) intake of dry matter (DM) and neutral detergent fiber (NDF) than those fed diets composed of mineral salt only. In addition, the animals that received protein-energy supplementation had longer period in grazing and spent on average more time per period eating at the trough (P < 0.05), however no significant differences were observed in the time per period in rumination and time per period in idle (P > 0.05). The supply of protein-energy supplement does not change the feeding behavior, except for an increase in the time spent feeding at the trough. The intake of protein-energy supplement improved the of DM and NDF feed efficiencies in grazing cattle during the rainy to the dry season transition.

Second order phase transition in thermodynamic geometry and holographic superconductivity in low-energy stringy black holes

NASA Astrophysics Data System (ADS)

Rizwan, C. L. Ahmed; Vaid, Deepak

2018-05-01

We study holographic superconductivity in low-energy stringy Garfinkle-Horowitz-Strominger (GHS) dilaton black hole background. We finds that superconducting properties are much similar to s-wave superconductors. We show that the second-order phase transition indicated from thermodynamic geometry is not different from superconducting phase transition.

Energy spectra variations of high energy electrons in magnetic storms observed by ARASE and HIMAWARI

NASA Astrophysics Data System (ADS)

Takashima, T.; Higashio, N.; Mitani, T.; Nagatsuma, T.; Yoshizumi, M.

2017-12-01

The ARASE spacecraft was launched in December 20, 2016 to investigate mechanisms for acceleration and loss of relativistic electrons in the radiation belts during space storms. The six particle instruments with wide energy range (a few eV to 10MeV) are onboard the ARASE spacecraft. Especially, two particle instruments, HEP and XEP observe high energy electron with energy range from 70keV to over 10Mev. Those instruments observed several geomagnetic storms caused by coronal hole high speed streams or coronal mass ejections from March in 2017. The relativistic electrons in the outer radiation belt were disappeared/increased and their energy spectra were changed dynamically in some storms observed by XEP/HEP onboard the ARASE spacecraft. In the same time, SEDA-e with energy range 200keV-4.5MeV for electron on board the HIMAWARI-8, Japanese weather satellite on GEO, observed increase of relativistic electron in different local time. We will report on energy spectra variations of high energy electrons including calibrations of differential flux between XEP and HEP and discuss comparisons with energy spectra between ARAE and HIMAWARI that observed each storm in different local time.

Transition Region Explosive Events in He II 304Å: Observation and Analysis

NASA Astrophysics Data System (ADS)

Rust, Thomas; Kankelborg, Charles C.

2016-05-01

We present examples of transition region explosive events observed in the He II 304Å spectral line with the Multi Order Solar EUV Spectrograph (MOSES). With small (<5000 km) spatial scale and large non-thermal (100-150 km/s) velocities these events satisfy the observational signatures of transition region explosive events. Derived line profiles show distinct blue and red velocity components with very little broadening of either component. We observe little to no emission from low velocity plasma, making the plasmoid instability reconnection model unlikely as the plasma acceleration mechanism for these events. Rather, the single speed, bi-directional jet characteristics suggested by these data are consistent with acceleration via Petschek reconnection.Observations were made during the first sounding rocket flight of MOSES in 2006. MOSES forms images in 3 orders of a concave diffraction grating. Multilayer coatings largely restrict the passband to the He II 303.8Å and Si XI 303.3Å spectral lines. The angular field of view is about 8.5'x17', or about 20% of the solar disk. These images constitute projections of the volume I(x,y,λ), the intensity as a function of sky plane position and wavelength. Spectral line profiles are recovered via tomographic inversion of these projections. Inversion is carried out using a multiplicative algebraic reconstruction technique.

Energy conversion modeling of the intrinsic persistent luminescence of solids via energy transfer paths between transition levels.

PubMed

Huang, Bolong; Sun, Mingzi

2017-04-05

An energy conversion model has been established for the intrinsic persistent luminescence in solids related to the native point defect levels, formations, and transitions. In this study, we showed how the recombination of charge carriers between different defect levels along the zero phonon line (ZPL) can lead to energy conversions supporting the intrinsic persistent phosphorescence in solids. This suggests that the key driving force for this optical phenomenon is the pair of electrons hopping between different charged defects with negative-U eff . Such a negative correlation energy will provide a sustainable energy source for electron-holes to further recombine in a new cycle with a specific quantum yield. This will help us to understand the intrinsic persistent luminescence with respect to native point defect levels as well as the correlations of electronics and energetics.

Implication of the Observable Spectral Cutoff Energy Evolution in XTE J1550-564

NASA Technical Reports Server (NTRS)

Titarchuk, Lev; Shaposhnikov, Nikolai

2010-01-01

The physical mechanisms responsible for production of the non-thermal emission in accreting black holes should be imprinted in the observational appearances of the power law tails in the X-ray spectra from these objects. Variety of spectral states observed from galactic black hole binaries by it Rossi X-ray Timing Explorer (RXTE) allow examination of the photon upscattering under different accretion regimes. We revisit of RXTE data collected from the black hole X-ray binary XTE J1550-564 during two periods of X-ray activity in 1998 and 2000 focusing on the behavior of the high energy cutoff of the power law part of the spectrum. For the 1998 outburst the Iran- sition from the low-hard state to the intermediate state was accompanied by a gradual decrease in the cutoff energy which then showed a sharp reversal to a clear increasing trend during the further evolution towards the very high and high-soft states. However, the 2000 outburst showed only the decreasing part of this pattern. Notably, the photon indexes corresponding to the cutoff increase for the 1998 event are much higher than the index values reached during the 2000 rise transition. We attribute this difference in the cutoff' energy behav- for to the different partial contributions of the thermal and non-thermal (bulk motion) Comptonization in photon upscattering. Namely, during the 1998 event the higher accretion rate presumably provided more cooling to the Comptonizing media and thus reducing the effectiveness of the thermal upscattering process. Under these conditions the bulk motion takes a leading role in boosting the input soft photons. Monte Carlo simulations of the The physical mechanisms responsible for production of the non-thermal emission in accreting black holes should be imprinted in the observational apperances of the power law tails in the X-ray spectra from these objects. Variety of spectral states observed from galactic black hole binaries by it Rossi X-ray Timing Explorer (RXTE) allow

Wilson loop's phase transition probed by non-local observable

NASA Astrophysics Data System (ADS)

Li, Hui-Ling; Feng, Zhong-Wen; Yang, Shu-Zheng; Zu, Xiao-Tao

2018-04-01

In order to give further insights into the holographic Van der Waals phase transition, it would be of great interest to investigate the behavior of Wilson loop across the holographic phase transition for a higher dimensional hairy black hole. We offer a possibility to proceed with a numerical calculation in order to discussion on the hairy black hole's phase transition, and show that Wilson loop can serve as a probe to detect a phase structure of the black hole. Furthermore, for a first order phase transition, we calculate numerically the Maxwell's equal area construction; and for a second order phase transition, we also study the critical exponent in order to characterize the Wilson loop's phase transition.

Using the transit of Venus to probe the upper planetary atmosphere.

PubMed

Reale, Fabio; Gambino, Angelo F; Micela, Giuseppina; Maggio, Antonio; Widemann, Thomas; Piccioni, Giuseppe

2015-06-23

During a planetary transit, atoms with high atomic number absorb short-wavelength radiation in the upper atmosphere, and the planet should appear larger during a primary transit observed in high-energy bands than in the optical band. Here we measure the radius of Venus with subpixel accuracy during the transit in 2012 observed in the optical, ultraviolet and soft X-rays with Hinode and Solar Dynamics Observatory missions. We find that, while Venus's optical radius is about 80 km larger than the solid body radius (the top of clouds and haze), the radius increases further by >70 km in the extreme ultraviolet and soft X-rays. This measures the altitude of the densest ion layers of Venus's ionosphere (CO2 and CO), useful for planning missions in situ, and a benchmark case for detecting transits of exoplanets in high-energy bands with future missions, such as the ESA Athena.

Direct observation of the transition from calcite to aragonite growth as induced by abalone shell proteins.

PubMed Central

Thompson, J B; Paloczi, G T; Kindt, J H; Michenfelder, M; Smith, B L; Stucky, G; Morse, D E; Hansma, P K

2000-01-01

The mixture of EDTA-soluble proteins found in abalone nacre are known to cause the nucleation and growth of aragonite on calcite seed crystals in supersaturated solutions of calcium carbonate. Past atomic force microscope studies of the interaction of these proteins with calcite crystals did not observe this transition because no information about the crystal polymorph on the surface was obtained. Here we have used the atomic force microscope to directly observe changes in the atomic lattice on a calcite seed crystal after the introduction of abalone shell proteins. The observed changes are consistent with a transition to (001) aragonite growth on a (1014) calcite surface. PMID:11106633

Energy in transition 1985 to 2010: overview. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1979-01-01

This study by the Committee on Nuclear and Alternative Energy Systems (CONAES) examines in detail all aspects of the nations energy situation. Some technical and economic observation that decision makers may find useful as they develop energy policy in the larger context of the future of society are offered. The observations focusing on the prime importance of energy conservation; the critical near-term problem of fluid fuel supply; the desirability of a balanced combination of coal and nuclear fission as the only large-scale intermediate-term options for electricity generation; the need to keep the breeder option open; and the importance of investingmore » now in research and development to ensure the availability of a strong range of new energy options sustainable over the long term are discussed in detail. (MCW)« less

Energy spectra of plasma sheet ions and electrons from about 50 eV/e to about 1 MeV during plamsa temperature transitions

NASA Technical Reports Server (NTRS)

Christon, S. P.; Mitchell, D. G.; Williams, D. J.; Frank, L. A.; Huang, C. Y.; Eastman, T. E.

1988-01-01

ISEE-1 charged-particle measurements obtained during eight plasma temperature transitions (PTTs) in 1978-1979 are compiled in tables and graphs and analyzed in detail, comparing the ion and electron differential energy spectra with the predictions of theoretical models. PTTs are defined as approximately 1-h periods of low bulk plasma velocity and steadily increasing or decreasing thermal energy. A Maxwellian distribution is found to be inadequate in describing the PTT energy spectra, but velocity-exponential and kappa distributions are both successful, the latter especially at higher energies. The power-law index kappa varies from PTT to PTT, but the high-energy spectral index and overall shape of the distribution remain constant during a PTT; both spatial and temporal effects are observed.

Relativistic many-body calculations of excitation energies, oscillator strengths, transition rates, and lifetimes in samarium like ions

NASA Astrophysics Data System (ADS)

Safronova, Ulyana; Safronova, Alla; Beiersdorfer, Peter

2013-05-01

Excitation energies, oscillator strengths, transition probabilities, and lifetimes are calculated for (5s2 + 5p2 + 5d2 + 5 s 5 d + 5 s 5 g + 5 p 5 f) - (5 s 5 p + 5 s 5 f + 5 p 5 d + 5 p 5 g) electric dipole transitions in Sm-like ions with nuclear charge Z ranging from 74 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s2 2s2 2p6 3s2 3p6 3d10 4s2 4p6 4d10 4f14 Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate coupling coefficients, and the second-order RMBPT is used to determine the matrix elements. The contributions from negative-energy states are included in the second-order E1 matrix elements to achieve agreement between length-form and velocity-form amplitudes. The resulting transition energies and transition probabilities, and lifetimes for Sm-like W12+ are compared with results obtained by the relativistic Hartree-Fock approximation (COWAN code) to estimate contribution of the 4 f -core-excited states. Trends of excitation energies and oscillator strengths as function of nuclear charge Z are shown graphically for selected states and transitions. This work provides a number of yet unmeasured properti. This research was sponsored by the grant DE-FG02-08ER54951.

A cautionary approach in transitioning to 'green' energy technologies and practices is required.

PubMed

Matatiele, Puleng; Gulumian, Mary

2016-06-01

Renewable energy technologies (wind turbines, solar cells, biofuels, etc.) are often referred to as 'clean' or 'green' energy sources, while jobs linked to the field of environmental protection and energy efficiency are referred to as 'green' jobs. The energy efficiency of clean technologies, which is likely to reduce and/or eliminate reliance on fossil fuels, is acknowledged. However, the potential contribution of green technologies and associated practices to ill health and environmental pollution resulting from consumption of energy and raw materials, generation of waste, and the negative impacts related to some life cycle phases of these technologies are discussed. Similarly, a point is made that the green jobs theme is mistakenly oversold because the employment opportunities generated by transitioning to green technologies are not necessarily safe and healthy jobs. Emphasis is put on identifying the hazards associated with these green designs, assessing the risks to the environment and worker health and safety, and either eliminating the hazards or minimizing the risks as essential elements to the design, construction, operation, and maintenance of green technologies. The perception that it is not always economically possible to consider all risk factors associated with renewable energy technologies at the beginning without hampering their implementation, especially in the poor developing countries, is dismissed. Instead, poor countries are encouraged to start implementing environmentally sound practices while transitioning to green technologies in line with their technological development and overall economic growth.

Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

NASA Astrophysics Data System (ADS)

Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that LDL configurations are located in the same megabasin as LDA, and that HDL configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

The Transition of a Type IIL Supernova into a Supernova Remnant: Late-time Observations of SN 2013by

DOE Office of Scientific and Technical Information (OSTI.GOV)

Black, C. S.; Fesen, R. A.; Milisavljevic, D.

2017-10-10

We present early-time Swift and Chandra X-ray data along with late-time optical and near-infrared observations of SN 2013by, a Type IIL supernova (SN) that occurred in the nearby spiral galaxy ESO 138−G10 ( D ∼ 14.8 Mpc). Optical and NIR photometry and spectroscopy follow the late-time evolution of the SN from days +89 to +457 post maximum brightness. The optical spectra and X-ray light curves are consistent with the picture of an SN having prolonged interaction with circumstellar material (CSM) that accelerates the transition from SN to supernova remnant (SNR). Specifically, we find SN 2013by’s H α profile exhibits significantmore » broadening (∼10,000 km s{sup −1}) on day +457, the likely consequence of high-velocity, H-rich material being excited by a reverse shock. A relatively flat X-ray light curve is observed that cannot be modeled using Inverse Compton scattering processes alone, but requires an additional energy source most likely originating from the SN-CSM interaction. In addition, we see the first overtone of CO emission near 2.3 μ m on day +152, signaling the formation of molecules and dust in the SN ejecta and is the first time CO has been detected in a Type IIL SN. We compare SN 2013by with Type IIP SNe, whose spectra show the rarely observed SN-to-SNR transition in varying degrees and conclude that Type IIL SNe may enter the remnant phase at earlier epochs than their Type IIP counterparts.« less

Cohesive Energies of Some Transition Metal Compounds Using Embedded Clusters

NASA Astrophysics Data System (ADS)

Press, Mehernosh Rustom

The molecular-clusters approach to electronic structure calculation is especially well-suited to the study of properties that depend primarily on the local environment of a system, especially those with no translational symmetry, e.g. systems with defects and structural deformations. The presence of the rest of the crystal environment can be accounted for approximately by embedding the cluster in a self-consistent crystal potential. This thesis makes a contribution in the area of investigating the capability of embedded molecular-clusters to yield reliable bulk structural properties. To this end, an algorithm for calculating the cohesive energies of clusters within the discrete-variational X(,(alpha)) LCAO-MO formulation is set up and verified on simple solids: Li, Na, Cu and LiF. We then use this formulation to study transition metal compounds, for which the interesting physics lies in local lattice defects, foreign impurities and structural deformations. In a self -consistent calculation of the lattice energies and stability of defect clusters in wustite, Fe(,1-x)O, corner-sharing aggregates of the 4:1 defect are identified as the most stable defect configurations due to efficient compensation of the cluster charge. The intercalation properties of layered-transition-metal-dichalcogenides continues to be a fertile experimental working area, backed by comparatively little theoretical study. We find that intercalation of ZrS(,2) with Na perturbs the valence energy level structure sufficiently to induce a more ionic Zr-S bond, a narrowing of the optical gap and filling of the lowest unoccupied host lattice orbitals with the electron donated by Na. Fe - intercalation in ZrS(,2) is accommodated via a strong Fe-S bond, impurity-like band levels in the optical gap of the host and hybridization-driven compression and lowering of the conduction band energy levels. The piezoelectric cuprous halides, CuCl and CuBr, exhibit a host of intriguing properties due to a filled and

Theoretical potential for low energy consumption phase change memory utilizing electrostatically-induced structural phase transitions in 2D materials

NASA Astrophysics Data System (ADS)

Rehn, Daniel A.; Li, Yao; Pop, Eric; Reed, Evan J.

2018-01-01

Structural phase-change materials are of great importance for applications in information storage devices. Thermally driven structural phase transitions are employed in phase-change memory to achieve lower programming voltages and potentially lower energy consumption than mainstream nonvolatile memory technologies. However, the waste heat generated by such thermal mechanisms is often not optimized, and could present a limiting factor to widespread use. The potential for electrostatically driven structural phase transitions has recently been predicted and subsequently reported in some two-dimensional materials, providing an athermal mechanism to dynamically control properties of these materials in a nonvolatile fashion while achieving potentially lower energy consumption. In this work, we employ DFT-based calculations to make theoretical comparisons of the energy required to drive electrostatically-induced and thermally-induced phase transitions. Determining theoretical limits in monolayer MoTe2 and thin films of Ge2Sb2Te5, we find that the energy consumption per unit volume of the electrostatically driven phase transition in monolayer MoTe2 at room temperature is 9% of the adiabatic lower limit of the thermally driven phase transition in Ge2Sb2Te5. Furthermore, experimentally reported phase change energy consumption of Ge2Sb2Te5 is 100-10,000 times larger than the adiabatic lower limit due to waste heat flow out of the material, leaving the possibility for energy consumption in monolayer MoTe2-based devices to be orders of magnitude smaller than Ge2Sb2Te5-based devices.

Astronomy Behind Enemy Lines in Colonial North America: John Winthrop's Observations of the Transits of Venus

NASA Astrophysics Data System (ADS)

Schechner, S. J.

2005-12-01

In May 1761, John Winthrop packed up two students, an excellent clock, an octant, and two telescopes, and embarked for Newfoundland to observe the Transit of Venus. Winthrop's departure was hasty. Only days before had the President and Fellows of Harvard College approved Professor Winthrop's request to take the college apparatus behind enemy lines to serve the cause of science, and Winthrop knew he had no time to waste if he were to reach Newfoundland and properly calibrate his equipment before the Transit. Winthrop's expedition to St. John's, Newfoundland was nothing short of remarkable. His goal was to help determine the distance from the Earth to the Sun, and he was the only North American astronomer fit for this project. His expedition was financed by the General Court of Massachusetts, which also secured him safe passage across enemy lines during the French and Indian War. Winthrop's trip to St. John's was a major achievement for colonial astronomy, but he was unhappy with his observations and so looked forward to a second chance to observe a transit in 1769. Benjamin Franklin urged him to go to Lake Superior. Planning for that transit was thwarted, however, by two events: (1) the loss of nearly all of Harvard's apparatus in a fire of 1764; and (2) pre-Revolutionary politics in the American colonies. In the end, Winthrop was forced to content himself with first-class observations with new instruments in Cambridge.

Observations of shear flows in high-energy-density plasmas

NASA Astrophysics Data System (ADS)

Harding, Eric C.

The research discussed in this thesis represents work toward the demonstration of experimental designs for creating a Kelvin-Helmholtz (KH) unstable shear layer in a high-energy-density (HED) plasma. Such plasmas are formed by irradiating materials with several kilo-Joules of laser light over a few nanoseconds, and are defined as having an internal pressure greater than one-million atmospheres. Similar plasmas exist in laboratory fusion experiments and in the astrophysical environment. The KH instability is a fundamental fluid instability that arises when strong velocity gradients exist at the interface between two fluids. The KH instability is important because it drives the mixing of fluids and initiates the transition to turbulence in the flow. Until now, the evolution of the KH instability has remained relatively unexplored in the HED regime This thesis presents the observations and analysis of two novel experiments carried out using two separate laser facilities. The first experiment used 1.4 kJ from the Nike laser to generate a supersonic flow of Al plasma over a low-density, rippled foam surface. The Al flow interacted with the foam and created distinct features that resulted from compressible effects. In this experiment there is little evidence of the KH instability. Nevertheless, this experimental design has perhaps pioneered a new method for generating a supersonic shear flow that has the potential to produce the KH instability if more laser energy is applied. The second experiment was performed on the Omega laser. In this case 4.3 kJ of laser energy drove a blast wave along a rippled foam/plastic interface. In response to the vorticity deposited and the shear flow established by the blast wave, the interface rolls up into large vorticies characteristic of the KH instability. The Omega experiment was the first HED experiment to capture the evolution of the KH instability.

Hadronic Transitions from Upsilon (2S) to Upsilon (1s) and Upsilon Dipion Transitions at Energies Near the Upsilon (4S)

NASA Astrophysics Data System (ADS)

Kotoy, Sergei Anatolievich

This dissertation consists of two closely related analyses, both of which were performed using data collected with the CLEO II detector at the Cornell Electron Storage Ring. In the first analysis, using the world largest data sample of Υ(2 S) events, we have investigated the hadronic transitions between the Υ(2S) and the Υ(1S), i.e. decays of the Υ(2S) into the Υ(1S), plus a pair of pions ( p+p- or p0p0 ), a single η or a single p0 . The dipion transitions U(2S)-->U( 1S)pp were studied most closely, by using two different techniques: ``exclusive'' and ``inclusive''. In these measurements we determine the U(2S)-->U( 1S)pp branching ratios, and, by combining the exclusive and inclusive results, we derive the Υ(1S), leptonic branching ratios Bee and Bmm . Parameters of the ππ system in the dipion transitions (dipion invariant mass spectra, angular distributions) were analyzed and found to be consistent with current theoretical models. Lastly, we searched for the η and single π0 transitions and obtained upper limits on the branching ratios B(U(2S) -->U(1S)h ) and B(U(2S) -->U(1S)p 0) . In the second analysis, the data collected at the center of mass energies near the Υ(4S) were used to search for the dipion transition between pairs of Υ resonances. As a result of this search, we established upper limits on the branching ratios of the dipion transitions post='par'>p+p- and U(4S)-->U( 1S)p+p- , and measured the cross-sections for the radiative production of Υ(3 S) and Υ(2S) resonances e+e--->U(nS) g at the center of mass energies of Ecm = 10.58 GeV and Ecm = 10.52 GeV.

Cultivation and energy efficient harvesting of microalgae using thermoreversible sol-gel transition

PubMed Central

Estime, Bendy; Ren, Dacheng; Sureshkumar, Radhakrishna

2017-01-01

Microalgae represent a promising source of renewable biomass for the production of biofuels and valuable chemicals. However, energy efficient cultivation and harvesting technologies are necessary to improve economic viability. A Tris-Acetate-Phosphate-Pluronic (TAPP) medium that undergoes a thermoreversible sol-gel transition is developed to efficiently culture and harvest microalgae without affecting the productivity as compared to that in traditional culture in a well-mixed suspension. After seeding microalgae in the TAPP medium in a solution phase at 15 °C, the temperature is increased by 7 °C to induce gelation. Within the gel, microalgae are observed to grow in large clusters rather than as isolated cells. The settling velocity of the microalgal clusters is approximately ten times larger than that of individual cells cultured in typical solution media. Such clusters are easily harvested gravimetrically by decreasing the temperature to bring the medium to a solution phase. PMID:28102313

Energy transition characterization of 1.18 and 1.3 {mu}m bands of bismuth fiber by spectroscopy of the transient oscillations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gumenyuk, Regina; Okhotnikov, Oleg G.; Golant, Konstantin

2011-05-09

The experimental evidence of laser transition type in bismuth-doped silica fibers operating at different spectral bands is presented. Spectrally resolved transient (relaxation) oscillations studied for a Bi-doped fiber laser at room and liquid-nitrogen temperatures allow to identify the three- and four-level energy bands. 1.18 {mu}m short-wavelength band is found to be a three-level system at room temperature with highly populated terminal energy level of laser transition. The depopulation of ground level by cooling the fiber down to liquid-nitrogen temperature changes the transition to four-level type. Four-level energy transition distinguished at 1.32 {mu}m exhibits the net gain at room temperature.

Phonon-assisted indirect transitions in angle-resolved photoemission spectra of graphite and graphene

NASA Astrophysics Data System (ADS)

Ayria, Pourya; Tanaka, Shin-ichiro; Nugraha, Ahmad R. T.; Dresselhaus, Mildred S.; Saito, Riichiro

2016-08-01

Indirect transitions of electrons in graphene and graphite are investigated by means of angle-resolved photoemission spectroscopy (ARPES) with several different incident photon energies and light polarizations. The theoretical calculations of the indirect transition for graphene and for a single crystal of graphite are compared with the experimental measurements for highly-oriented pyrolytic graphite and a single crystal of graphite. The dispersion relations for the transverse optical (TO) and the out-of-plane longitudinal acoustic (ZA) phonon modes of graphite and the TO phonon mode of graphene can be extracted from the inelastic ARPES intensity. We find that the TO phonon mode for k points along the Γ -K and K -M -K' directions in the Brillouin zone can be observed in the ARPES spectra of graphite and graphene by using a photon energy ≈11.1 eV. The relevant mechanism in the ARPES process for this case is the resonant indirect transition. On the other hand, the ZA phonon mode of graphite can be observed by using a photon energy ≈6.3 eV through a nonresonant indirect transition, while the ZA phonon mode of graphene within the same mechanism should not be observed.

Real-time observation of fluctuations at the driven-dissipative Dicke phase transition

PubMed Central

Brennecke, Ferdinand; Mottl, Rafael; Baumann, Kristian; Landig, Renate; Donner, Tobias; Esslinger, Tilman

2013-01-01

We experimentally study the influence of dissipation on the driven Dicke quantum phase transition, realized by coupling external degrees of freedom of a Bose–Einstein condensate to the light field of a high-finesse optical cavity. The cavity provides a natural dissipation channel, which gives rise to vacuum-induced fluctuations and allows us to observe density fluctuations of the gas in real-time. We monitor the divergence of these fluctuations over two orders of magnitude while approaching the phase transition, and observe a behavior that deviates significantly from that expected for a closed system. A correlation analysis of the fluctuations reveals the diverging time scale of the atomic dynamics and allows us to extract a damping rate for the external degree of freedom of the atoms. We find good agreement with our theoretical model including dissipation via both the cavity field and the atomic field. Using a dissipation channel to nondestructively gain information about a quantum many-body system provides a unique path to study the physics of driven-dissipative systems. PMID:23818599

MM/PBSA analysis of molecular dynamics simulations of bovine beta-lactoglobulin: free energy gradients in conformational transitions?

PubMed

Fogolari, Federico; Moroni, Elisabetta; Wojciechowski, Marcin; Baginski, Maciej; Ragona, Laura; Molinari, Henriette

2005-04-01

The pH-driven opening and closure of beta-lactoglobulin EF loop, acting as a lid and closing the internal cavity of the protein, has been studied by molecular dynamics (MD) simulations and free energy calculations based on molecular mechanics/Poisson-Boltzmann (PB) solvent-accessible surface area (MM/PBSA) methodology. The forms above and below the transition pH differ presumably only in the protonation state of residue Glu89. MM/PBSA calculations are able to reproduce qualitatively the thermodynamics of the transition. The analysis of MD simulations using a combination of MM/PBSA methodology and the colony energy approach is able to highlight the driving forces implied in the transition. The analysis suggests that global rearrangements take place before the equilibrium local conformation is reached. This conclusion may bear general relevance to conformational transitions in all lipocalins and proteins in general. (c) 2005 Wiley-Liss, Inc.

The Mexican expedition to observe the 8 December 1874 transit of Venus in Japan

NASA Astrophysics Data System (ADS)

Allen, Christine

2005-04-01

The voyage of the Mexican commission to observe the transit of Venus on 8 December 1874 in Japan is briefly recounted. The five-man expedition was led by Francisco Díaz Covarrubias. They succeeded in establishing two observing stations near Yokohama, one in Nogue-no-Yama and one on a hill called "The Bluff", and also in determining precise geographical positions for them. Clear skies allowed the observation of the transit at both stations. The results were presented in Paris in 1875, and published on the same year. They were meant as a contribution to be processed along with all other data obtained by different missions. The importance of the expedition for the development of early modern science in Mexico - particularly astronomy - is examined in the broad context of the social and political conditions then prevailing in the country. The relevance of the mission for the establishment of scientific, cultural and even commercial ties between Japan and Mexico is emphasized.

Microscopic analysis of octupole shape transitions in neutron-rich actinides with relativistic energy density functional

NASA Astrophysics Data System (ADS)

Xu, Zhong; Li, Zhi-Pan

2017-12-01

Quadrupole and octupole deformation energy surfaces, low-energy excitation spectra, and electric transition rates in eight neutron-rich isotopic chains - Ra, Th, U, Pu, Cm, Cf, Fm, and No - are systematically analyzed using a quadrupole-octupole collective Hamiltonian model, with parameters determined by constrained reflection-asymmetric and axially-symmetric relativistic mean-field calculations based on the PC-PK1 energy density functional. The theoretical results of low-lying negative-parity bands, odd-even staggering, average octupole deformations ⟨β 3⟩, and show evidence of a shape transition from nearly spherical to stable octupole-deformed, and finally octupole-soft equilibrium shapes in the neutron-rich actinides. A microscopic mechanism for the onset of stable octupole deformation is also discussed in terms of the evolution of single-nucleon orbitals with deformation. Supported by National Natural Science Foundation of China (11475140, 11575148)

ON THE ACTIVE REGION BRIGHT GRAINS OBSERVED IN THE TRANSITION REGION IMAGING CHANNELS OF IRIS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skogsrud, H.; Voort, L. Rouppe van der; Pontieu, B. De

The Interface Region Imaging Spectrograph (IRIS) provides spectroscopy and narrow band slit-jaw (SJI) imaging of the solar chromosphere and transition region at unprecedented spatial and temporal resolutions. Combined with high-resolution context spectral imaging of the photosphere and chromosphere as provided by the Swedish 1 m Solar Telescope (SST), we can now effectively trace dynamic phenomena through large parts of the solar atmosphere in both space and time. IRIS SJI 1400 images from active regions, which primarily sample the transition region with the Si iv 1394 and 1403 Å lines, reveal ubiquitous bright “grains” which are short-lived (two to five minute)more » bright roundish small patches of sizes 0.″5–1.″7 that generally move limbward with velocities up to about 30 km s{sup −1}. In this paper, we show that many bright grains are the result of chromospheric shocks impacting the transition region. These shocks are associated with dynamic fibrils (DFs), most commonly observed in Hα. We find that the grains show the strongest emission in the ascending phase of the DF, that the emission is strongest toward the top of the DF, and that the grains correspond to a blueshift and broadening of the Si iv lines. We note that the SJI 1400 grains can also be observed in the SJI 1330 channel which is dominated by C ii lines. Our observations show that a significant part of the active region transition region dynamics is driven from the chromosphere below rather than from coronal activity above. We conclude that the shocks that drive DFs also play an important role in the heating of the upper chromosphere and lower transition region.« less

Photometric Follow-up Transit (Primary Eclipse) Observations of WASP-43 b and TrES-3b and A Study on Their Transit Timing Variations

NASA Astrophysics Data System (ADS)

Zhao, Sun; Jiang-hui, Ji; Yao, Dong

2018-01-01

Two photometric follow-up transit (primary eclipse) observations on WASP-43 b and four observations on TrES-3 b are performed using the Xuyi Near-Earth Object Survey Telescope. After differential photometry and light curve analysis, the physical parameters of the two systems are obtained and are in good match with the literature. Combining with transit data from a lot of literature, the residuals (O - C) of transit observations of both systems are fitted with the linear and quadratic functions. With the linear fitting, the periods and transit timing variations (TTVs) of the planets are obtained, and no obvious periodic TTV signal is found in both systems after an analysis. The maximum mass of a perturbing planet located at the 1:2 mean motion resonance (MMR) for WASP-43 b and TrES-3 b is estimated to be 1.826 and 1.504 Earth mass, respectively. By quadratic fitting, it is confirmed that WASP-43 b may have a long-term TTV which means an orbital decay. The decay rate is shown to be Ṗ = (-0.005248 ± 0.001714) s·yr-1, and compared with the previous results. Based on this, the lower limit of the stellar tidal quality parameter of WASP-43 is calculated to be Q‧* ≥ 1.5 × 105 , and the remaining lifetimes of the planets are presented for the different Q‧* values of the two systems, correspondingly.

scEpath: Energy landscape-based inference of transition probabilities and cellular trajectories from single-cell transcriptomic data.

PubMed

Jin, Suoqin; MacLean, Adam L; Peng, Tao; Nie, Qing

2018-02-05

Single-cell RNA-sequencing (scRNA-seq) offers unprecedented resolution for studying cellular decision-making processes. Robust inference of cell state transition paths and probabilities is an important yet challenging step in the analysis of these data. Here we present scEpath, an algorithm that calculates energy landscapes and probabilistic directed graphs in order to reconstruct developmental trajectories. We quantify the energy landscape using "single-cell energy" and distance-based measures, and find that the combination of these enables robust inference of the transition probabilities and lineage relationships between cell states. We also identify marker genes and gene expression patterns associated with cell state transitions. Our approach produces pseudotemporal orderings that are - in combination - more robust and accurate than current methods, and offers higher resolution dynamics of the cell state transitions, leading to new insight into key transition events during differentiation and development. Moreover, scEpath is robust to variation in the size of the input gene set, and is broadly unsupervised, requiring few parameters to be set by the user. Applications of scEpath led to the identification of a cell-cell communication network implicated in early human embryo development, and novel transcription factors important for myoblast differentiation. scEpath allows us to identify common and specific temporal dynamics and transcriptional factor programs along branched lineages, as well as the transition probabilities that control cell fates. A MATLAB package of scEpath is available at https://github.com/sqjin/scEpath. qnie@uci.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2018. Published by Oxford University Press.

Sustainable green pretreatment approach to biomass-to-energy conversion using natural hydro-low-transition-temperature mixtures.

PubMed

Yiin, Chung Loong; Quitain, Armando T; Yusup, Suzana; Uemura, Yoshimitsu; Sasaki, Mitsuru; Kida, Tetsuya

2018-08-01

Natural hydro-low-transition-temperature mixtures (NH-LTTMs) tend to be the most favorable next-generation green solvents for biomass pretreatment, as they are cheap and environmental friendly. The amount of water bound into the NH-LTTMs greatly affected their thermal stability, whereby the highest thermal stability was observed with the water content of 7.6 wt%. It is worth noting that, the highest molar transition energy of NH-LTTMs (47.57 kcal mol -1 ), which indicated the highest solubility, was optimized with the molar ratio of hydrogen bond donor (HBD)-hydrogen bond acceptor (HBA)-water (2:4:3) at a temperature of 60 °C. Hydrogen bonding networks of the NH-LTTMs, which led to the dissolution of biomass, were confirmed by the alteration in the peaks of the involved bonds and resonance signal to lower field through FTIR and 1 H NMR spectra, respectively. The components evidenced in high-resolution mass spectra of extracted lignin showed its high potential to be valorized into useful fuels and chemicals. Copyright © 2018 Elsevier Ltd. All rights reserved.

Transition between B-DNA and Z-DNA: free energy landscape for the B-Z junction propagation.

PubMed

Lee, Juyong; Kim, Yang-Gyun; Kim, Kyeong Kyu; Seok, Chaok

2010-08-05

Canonical, right-handed B-DNA can be transformed into noncanonical, left-handed Z-DNA in vitro at high salt concentrations or in vivo under physiological conditions. The molecular mechanism of this drastic conformational transition is still unknown despite numerous studies. Inspired by the crystal structure of a B-Z junction and the previous zipper model, we show here, with the aid of molecular dynamics simulations, that a stepwise propagation of a B-Z junction is a highly probable pathway for the B-Z transition. In this paper, the movement of a B-Z junction by a two-base-pair step in a double-strand nonamer, [d(GpCpGpCpGpCpGpCpG)](2), is considered. Targeted molecular dynamics simulations and umbrella sampling for this transition resulted in a transition pathway with a free energy barrier of 13 kcal/mol. This barrier is much more favorable than those obtained from previous atomistic simulations that lead to concerted transitions of the whole strands. The free energy difference between B-DNA and Z-DNA evaluated from our simulation is 0.9 kcal/mol per dinucleotide unit, which is consistent with previous experiments. The current computation thus strongly supports the proposal that the B-Z transition involves a relatively fast extension of B-DNA or Z-DNA by sequential propagation of B-Z junctions once nucleation of junctions is established.

Simultaneous Chandra and VLA Observations of the Transitional Millisecond Pulsar PSR J1023+0038: Anti-correlated X-Ray and Radio Variability

NASA Astrophysics Data System (ADS)

Bogdanov, Slavko; Deller, Adam T.; Miller-Jones, James C. A.; Archibald, Anne M.; Hessels, Jason W. T.; Jaodand, Amruta; Patruno, Alessandro; Bassa, Cees; D’Angelo, Caroline

2018-03-01

We present coordinated Chandra X-ray Observatory and Karl G. Jansky Very Large Array observations of the transitional millisecond pulsar PSR J1023+0038 in its low-luminosity accreting state. The unprecedented five hours of strictly simultaneous X-ray and radio continuum coverage for the first time unambiguously show a highly reproducible, anti-correlated variability pattern. The characteristic switches from the X-ray high mode into a low mode are always accompanied by a radio brightening with a duration that closely matches the X-ray low mode interval. This behavior cannot be explained by a canonical inflow/outflow accretion model where the radiated emission and the jet luminosity are powered by, and positively correlated with, the available accretion energy. We interpret this phenomenology as alternating episodes of low-level accretion onto the neutron star during the X-ray high mode that are interrupted by rapid ejections of plasma by the active rotation-powered pulsar, possibly initiated by a reconfiguration of the pulsar magnetosphere, that cause a transition to a less X-ray luminous mode. The observed anti-correlation between radio and X-ray luminosity has an additional consequence: transitional MSPs can make excursions into a region of the radio/X-ray luminosity plane previously thought to be occupied solely by black hole X-ray binary sources. This complicates the use of this luminosity relation for identifying candidate black holes, suggesting the need for additional discriminants when attempting to establish the true nature of the accretor.

Transition Metal Carbides and Nitrides in Energy Storage and Conversion

PubMed Central

Zhong, Yu; Shi, Fan; Zhan, Jiye; Tu, Jiangping

2016-01-01

High‐performance electrode materials are the key to advances in the areas of energy conversion and storage (e.g., fuel cells and batteries). In this Review, recent progress in the synthesis and electrochemical application of transition metal carbides (TMCs) and nitrides (TMNs) for energy storage and conversion is summarized. Their electrochemical properties in Li‐ion and Na‐ion batteries as well as in supercapacitors, and electrocatalytic reactions (oxygen evolution and reduction reactions, and hydrogen evolution reaction) are discussed in association with their crystal structure/morphology/composition. Advantages and benefits of nanostructuring (e.g., 2D MXenes) are highlighted. Prospects of future research trends in rational design of high‐performance TMCs and TMNs electrodes are provided at the end. PMID:27812464

Mixed-order phase transition in a colloidal crystal.

PubMed

Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

2017-12-05

Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid-solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field [Formula: see text] At the transition field [Formula: see text], the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length [Formula: see text] Mean-field critical exponents are predicted, since the upper critical dimension of the transition is [Formula: see text] Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions.

Mixed-order phase transition in a colloidal crystal

NASA Astrophysics Data System (ADS)

Alert, Ricard; Tierno, Pietro; Casademunt, Jaume

2017-12-01

Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid-solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field H. At the transition field Hs, the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length ξ∝|H2-Hs2|-1/2. Mean-field critical exponents are predicted, since the upper critical dimension of the transition is du=2. Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions.

Benchmarking transition energies and emission strengths for X-ray astrophysics with measurements at the Livermore EBITs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hell, Natalie

K-shell transitions in astrophysically abundant metals and L-shell transitions in Fe group elements show characteristic signatures in the soft X-ray spectrum in the energy range 0.1–10 keV. These signatures have great diagnostic value for plasma parameters such as electron and ion temperatures and densities, and can thus help understand the physics controlling the energetic processes in astrophysical sources. This diagnostic power increases with advances in spectral resolution and effective area of the employed X-ray observatories. However, to make optimal use of the diagnostic potential – whether through global spectral modeling or through diagnostics from local modeling of individual lines –more » the underlying atomic physics has to be complete and well known. With the next generation of soft X-ray observatories featuring micro-calorimeters such as the SXS on Astro- H/Hitomi and the X-IFU on Athena, broadband high-resolution spectroscopy with large effective area will become more commonly available in the next decade. With these spectrometers, the accuracy of the plasma parameters derived from spectral modeling will be limited by the uncertainty of the reference atomic data rather than by instrumental factors, as is sometimes already the case for the high-resolution grating observations with Chandra-HETG and XMM-Newton-RGS. To take full advantage of the measured spectra, assessment of the accuracy of and improvements to the available atomic reference data are therefore important. Dedicated measurements in the laboratory are essential to benchmark the theoretical calculations providing the bulk of the reference data used in astrophysics. Experiments at the Lawrence Livermore National Laboratory electron beam ion traps (EBIT-I and SuperEBIT) have a long history of providing this service. In this work, I present new measurements of transition energies and absolute electron impact excitation cross sections geared towards currently open atomic physics data

Modeled and Observed Transitions Between Rip Currents and Alongshore Flows

NASA Astrophysics Data System (ADS)

Moulton, M.; Elgar, S.; Warner, J. C.; Raubenheimer, B.

2014-12-01

Predictions of rip currents, alongshore currents, and the temporal transitions between these circulation patterns are important for swimmer safety and for estimating the transport of sediments, biota, and pollutants in the nearshore. Here, field observations are combined with hydrodynamic modeling to determine the dominant processes that lead rip currents to turn on and off with changing waves, bathymetry, and tidal elevation. Waves, currents, mean sea levels, and bathymetry were measured near and within five shore-perpendicular channels (on average 2-m deep, 30-m wide) that were dredged with the propellers of a landing craft at different times on a long straight Atlantic Ocean beach near Duck, NC in summer 2012. The circulation was measured for a range of incident wave conditions and channel sizes, and included rapid transitions between strong (0.5 to 1 m/s) rip current jets flowing offshore through the channels and alongshore currents flowing across the channels with no rip currents. Meandering alongshore currents (alongshore currents combined with an offshore jet at the downstream edge of the channel) also were observed. Circulation patterns near and within idealized rip channels simulated with COAWST (a three-dimensional phase-averaged model that couples ROMS and SWAN) are compared with the observations. In addition, the model is used to investigate the hydrodynamic response to a range of wave conditions (angle, height, period) and bathymetries (channel width, depth, and length; tidal elevations; shape of sandbar or terrace). Rip current speeds are largest for the deepest perturbations, and decrease as incident wave angles become more oblique. For obliquely incident waves, the rip currents are shifted in the direction of the alongshore flow, with an increasing shift for increasing alongshore current speed or increasing bathymetric perturbation depth.

Europe in the energy transition: the case for a smaller population.

PubMed

Grant, L

1988-07-01

Europe has not yet reached a sustainable society, that is, like the rest of the world, its people cannot live comfortably within its resources, but, it has achieved stabilizing population growth, a control on a potentially dangerous dependency on imported food, an adjustment to the transition from the colonial era, and a position conducive to deal with the energy transition. Europe is the most densely population region of the world, except for Japan. Concern about depopulation in western Europe is misplaced because European populations are on a plateau not a decline, and a lower population is a benefit when confronting resource and environmental constraints. World oil production is expected to peak and then to decline depending on demand, prices, and technology. European oil production will decline, and the United Kingdom will become a net importer in the mid-1990s. The environmental transition is described as more complex than finding a substitute for oil, in part because Europe, unlike the US, has limited fossil fuel resources which are also less accessible. Biomass as the alternative to fossil fuels must be produced on lands currently in food or forestry production. Also corn and bagasse production is not suited to for growing the European climate. Nuclear energy, with its safety and disposal problems, is only an interim solution. Hydropower development is expensive, and solar power is unsuitable because of the continual cloud cover. Wind power is possible but expensive at low wind levels, and the whole of western Europe is relatively unsuitable. Capital creates wealth, and unemployment is Europe's present problem. Large populations in the current technological revolution do not create greater wealth or military security. Europe and Japan have arrived at the population/energy/environment problem first, and many questions remain as to how to manage the age structure, how to maintain innovation and creativity, and how to maintain a prosperous steady state economy.

Colloidal Material Box: In-situ Observations of Colloidal Self-Assembly and Liquid Crystal Phase Transitions in Microgravity

NASA Astrophysics Data System (ADS)

Li, WeiBin; Lan, Ding; Sun, ZhiBin; Geng, BaoMing; Wang, XiaoQing; Tian, WeiQian; Zhai, GuangJie; Wang, YuRen

2016-05-01

To study the self-assembly behavior of colloidal spheres in the solid/liquid interface and elucidate the mechanism of liquid crystal phase transition under microgravity, a Colloidal Material Box (CMB) was designed which consists of three modules: (i) colloidal evaporation experimental module, made up of a sample management unit, an injection management unit and an optical observation unit; (ii) liquid crystal phase transition experimental module, including a sample management unit and an optical observation unit; (iii) electronic control module. The following two experimental plans will be performed inside the CMB aboard the SJ-10 satellite in space. (i) Self-assembly of colloidal spheres (with and without Au shell) induced by droplet evaporation, allowing observation of the dynamic process of the colloidal spheres within the droplet and the change of the droplet outer profile during evaporation; (ii) Phase behavior of Mg2Al LDHs suspensions in microgravity. The experimental results will be the first experimental observations of depositing ordered colloidal crystals and their self-assembly behavior under microgravity, and will illustrate the influence of gravity on liquid crystal phase transition.

Simulation study of free-energy barriers in the wetting transition of an oily fluid on a rough surface with reentrant geometry.

PubMed

Savoy, Elizabeth S; Escobedo, Fernando A

2012-11-20

When in contact with a rough solid surface, fluids with low surface tension, such as oils and alkanes, have their lowest free energy in the fully wetted state. For applications where nonwetting by these phillic fluids is desired, some barrier must be introduced to maintain the nonwetted composite state. One way to create this free-energy barrier is to fabricate roughness with reentrant geometry, but the question remains as to whether the free-energy barrier is sufficiently high to prevent wetting. Our goal is to quantify the free-energy landscape for the wetting transition of an oily fluid on a surface of nails and identify significant surface features and conditions that maximize the wetting free-energy barrier (ΔGfwd*). This is a departure from most work on wetting, which focuses on the equilibrium composite and wetted states. We use boxed molecular dynamics (BXD) (Glowacki, D. R.; Paci, E.; Shalashilin, D. V. J. Phys. Chem. B2009, 113, 16603-16611) with a modified control scheme to evaluate both the thermodynamics and kinetics of the transition over a range of surface affinities (chemistry). We find that the reentrant geometry of the nails does create a free-energy barrier to transition for phillic chemistry whereas a corresponding system on straight posts wets spontaneously and, that doubling the nail height more than doubles ΔGfwd*. For neutral to phillic chemistry, the dewetting free-energy barrier is at least an order of magnitude higher than that for wetting, indicating an essentially irreversible wetting transition. Transition rates from BXD simulations and the associated trends agree well with those in our previous study that used forward flux sampling to compute transition rates for similar systems.

Rapid Near-inertial Internal Wave Group Propagation Through the Transition Layer from Float and Glider Observations in the Bay of Bengal

NASA Astrophysics Data System (ADS)

Johnston, S.; Rudnick, D. L.; Sherman, J. T.

2016-02-01

Two Spray gliders and 1 SOLO-II float were deployed in 2013 and 2014 as components of ONR's Air-Sea Interactions in the Northern Indian Ocean (ASIRI) experiment. Shallow (10-50 m) salinity-controlled mixed layers in the Bay of Bengal isolate the rest of the deeper isothermal layer and ocean interior from winds. The transition layer is a deeper stratification maximum (20-100 m), which separates the upper ocean from the interior. Downward near-inertial internal wave (NIW) groups are observed here in potential density fluctuations and can rapidly (a few inertial periods) transfer energy out of the mixed layer into the stratified interior. (Inertial periods are T = 2*pi/f = 2 - 3 days from 9 - 17°N, where f is the Coriolis frequency.) When isopycnals shoal at fronts, the transition layer is brought closer to the mixed layer allowing for faster downward group speed due to the higher stratification. With about 10 inertial wind events in the NCEP reanalysis over the observation period of about 21 weeks, we find 3 NIW groups with clear downward energy (upward phase) propagation into the interior. The groups reach 200 m within 2-3 T and have vertical wavelengths of about 200 m. This implies horizontal wavelengths of about 200 km if the waves have a frequency of 1.1f. This horizontal wavelength and propagation time scale appear consistent with surface wind forcing correlation scales from 3-day highpassed wind products and decay estimates from surface drifters and theory (Park et al., 2009). Our results extend this previous work by making subsurface observations and measuring further equatorward. The mesoscale appears to mediate: (a) the conversion from mixed layer inertial oscillations into propagating NIW and (b) NIW propagation into the interior.

High-energy cosmic-ray electrons - A new measurement using transition-radiation detectors

NASA Technical Reports Server (NTRS)

Hartmann, G.; Mueller, D.; Prince, T.

1977-01-01

A new detector for cosmic-ray electrons, consisting of a combination of a transition-radiation detector and a shower detector, has been constructed, calibrated at accelerator beams, and exposed in a balloon flight under 5 g/sq cm of atmosphere. The design of this instrument and the methods of data analysis are described. Preliminary results in the energy range 9-300 GeV are presented. The energy spectrum of electrons is found to be significantly steeper than that of protons, consistent with a long escape lifetime of cosmic rays in the galaxy.

Virtual screening of mandelate racemase mutants with enhanced activity based on binding energy in the transition state.

PubMed

Gu, Jiali; Liu, Min; Guo, Fei; Xie, Wenping; Lu, Wenqiang; Ye, Lidan; Chen, Zhirong; Yuan, Shenfeng; Yu, Hongwei

2014-02-05

Mandelate racemase (MR) is a promising candidate for the dynamic kinetic resolution of racemates. However, the poor activity of MR towards most of its non-natural substrates limits its widespread application. In this work, a virtual screening method based on the binding energy in the transition state was established to assist in the screening of MR mutants with enhanced catalytic efficiency. Using R-3-chloromandelic acid as a model substrate, a total of 53 mutants were constructed based on rational design in the two rounds of screening. The number of mutants for experimental validation was brought down to 17 by the virtual screening method, among which 14 variants turned out to possess improved catalytic efficiency. The variant V26I/Y54V showed 5.2-fold higher catalytic efficiency (k(cat)/K(m)) towards R-3-chloromandelic acid than that observed for the wild-type enzyme. Using this strategy, mutants were successfully obtained for two other substrates, R-mandelamide and R-2-naphthylglycolate (V26I and V29L, respectively), both with a 2-fold improvement in catalytic efficiency. These results demonstrated that this method could effectively predict the trend of mutational effects on catalysis. Analysis from the energetic and structural assays indicated that the enhanced interactions between the active sites and the substrate in the transition state led to improved catalytic efficiency. It was concluded that this virtual screening method based on the binding energy in the transition state was beneficial in enzyme rational redesign and helped to better understand the catalytic properties of the enzyme. Copyright © 2013 Elsevier Inc. All rights reserved.

Observing Protein & Energy Nutrition (OPEN) Study

Cancer.gov

The Observing Protein and Energy Nutrition (OPEN) Study was designed to assess dietary measurement error by comparing results from self-reported dietary intake data with four dietary biomarkers: doubly labeled water and urinary nitrogen, sodium, and potassium.

Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lentz, Levi C.; Kolb, Brian; Kolpak, Alexie M.

Layered transition metal phosphates and phosphites (TMPs) are a class of 2D materials bound togetherviavan der Waals interactions. Through simple functionalization, band energies can be systematically controlled.

Bifurcations on Potential Energy Surfaces of Organic Reactions

PubMed Central

Ess, Daniel H.; Wheeler, Steven E.; Iafe, Robert G.; Xu, Lai; Çelebi-Ölçüm, Nihan; Houk, K. N.

2009-01-01

A single transition state may lead to multiple intermediates or products if there is a post-transition state reaction path bifurcation. These bifurcations arise when there are sequential transition states with no intervening energy minimum. For such systems, the shape of the potential energy surface and dynamic effects control selectivity rather than transition state energetics. This minireview covers recent investigations of organic reactions exhibiting reaction pathway bifurcations. Such phenomena are surprisingly general and affect experimental observables such as kinetic isotope effects and product distributions. PMID:18767086

Influence of dense plasma on the energy levels and transition properties in highly charged ions

NASA Astrophysics Data System (ADS)

Chen, Zhan-Bin; Hu, Hong-Wei; Ma, Kun; Liu, Xiao-Bin; Guo, Xue-Ling; Li, Shuang; Zhu, Bo-Hong; Huang, Lian; Wang, Kai

2018-03-01

The studies of the influence of plasma environments on the level structures and transition properties for highly charged ions are presented. For the relativistic treatment, we implemented the multiconfiguration Dirac-Fock method incorporating the ion sphere (IS) model potential, in which the plasma screening is taken into account as a modified interaction potential between the electron and the nucleus. For the nonrelativistic treatment, analytical solutions of the Schrödinger equation with two types of the IS screened potential are proposed. The Ritz variation method is used with hydrogenic wave function as a trial wave function that contains two unknown variational parameters. Bound energies are derived from an energy equation, and the variational parameters are obtained from the minimisation condition of the expectation value of the energy. Numerical results for hydrogen-like ions in dense plasmas are presented as examples. A detailed analysis of the influence of relativistic effects on the energy levels and transition properties is also reported. Our results are compared with available results in the literature showing a good quantitative agreement.

Transit Observations of Venus's Atmosphere in 2012 from Terrestrial and Space Telescopes as Exoplanet Analogs

NASA Astrophysics Data System (ADS)

Pasachoff, Jay M.; Schneider, G.; Babcock, B. A.; Lu, M.; Penn, M. J.; Jaeggli, S. A.; Galayda, E.; Reardon, K. P.; Widemann, T.; Tanga, P.; Ehrenreich, D.; Vidal-Madjar, A.; Nicholson, P. D.; Dantowitz, R.

2013-06-01

We extensively observed the 8 June 2012 transit of Venus from several sites on Earth; we provide this interim status report about this and about two subsequent ToVs observed from space. From Haleakala Obs., we observed the entire June transit over almost 7 h with a coronagraph of the Venus Twilight Experiment B filter) and with a RED Epic camera to compare with simultaneous data from ESA's Venus Express, to study the Cytherean mesosphere; from Kitt Peak, we have near-IR spectropolarimetry at 1.6 µm from the aureole and during the disk crossing that compare well with carbon dioxide spectral models; from Sac Peak/IBIS we have high-resolution imaging of the Cytherean aureole for 22 min, starting even before 1st contact; from Big Bear, we have high-resolution imaging of Venus's atmosphere and the black-drop effect through 2nd contact; and we had 8 other coronagraphs around the world. For the Sept 21 ToV as seen from Jupiter, we had 14 orbits of HST to use Jupiter's clouds as a reflecting surface to search for an 0.01% diminution in light and a differential drop that would result from Venus's atmosphere by observing in both IR/UV, for which we have 170 HST exposures. As of this writing, preliminary data reduction indicates that variations in Jovian clouds and the two periods of Jupiter's rotation will be too great to allow extraction of the transit signal. For the December 20 ToV as seen from Saturn, we had 22 hours of observing time with VIMS on Cassini, for which we are looking for a signal of the 10-hr transit in total solar irradiance and of Venus's atmosphere in IR as an exoplanet-transit analog. Our Maui & Sac Peak expedition was sponsored by National Geographic Society's Committee for Research and Exploration; HST data reduction by NASA: HST-GO-13067. Some of the funds for the carbon dioxide filter for Sac Peak provided by NASA through AAS's Small Research Grant Program. We thank Rob Ratkowski of Haleakala Amateur Astronomers; Rob Lucas, Aram Friedman, Eric

Energies, Wavelengths, and Transition Rates for Ga-Like Ions (Nd XXX-Tb XXXV)

NASA Astrophysics Data System (ADS)

El-Sayed, Fatma; Attia, S. M.

2016-03-01

Energies, wavelengths, transition probabilities, oscillator strengths, and line strengths have been calculated for 4s24p-4s4p2 and 4s24p-4s24d transitions in gallium-like ions from Z = 60 to 65, for Nd XXX, Pm XXXI, Sm XXXII, Eu XXXIII, Gd XXXIV, and Tb XXXV using the fully relativistic multiconfi guration Dirac-Fock method. The correlation with the n = 4 complex and the quantum electrodynamic effects have been considered in the calculations. The obtained results have been compared with the available experimental and other theoretical results.

Observations of low-energy ions with Arase/LEPi

NASA Astrophysics Data System (ADS)

Yoshizumi, M.; Asamura, K.; Kazama, Y.; Yokota, S.; Kasahara, S.

2017-12-01

LEPi is one of the instruments onboard Arase, which is an energy-mass spectrometer designed to measure ions with energies from 0.01keV/q up to 25keV/q. In order to discriminate species of incoming ions, LEPi uses a TOF (Time-Of-Flight) technique. TOF also works as a noise rejector, which is useful for rejection of background noise due to high energy particles in the inner magnetosphere. LEPi has passed the initial checkout phase after launch, and now under regular observations. Since the regular observation started (end of March, 2017), Arase encountered several magnetic storms driven by CIR and CMEs. LEPi observed sudden flux enhancement and subsequent gradual decay of low-energy ( 10eV/q) ions around L=4 associated with the magnetic storms. In some cases, these flux modulations coinside with eclipse (absent of Sun light on the spacecraft), but others do not. Spacecraft potential decreases when the spacecraft gets eclipse. Therefore, a part of ions whose enegies are lower than energy range of LEPi are accelerated and appeared in the range. These fluxes might reflect transportation / energization of cold component in the inner magnetosphere. We will present current LEPi operations and initial scientific results.

General Trends of Dihedral Conformational Transitions in a Globular Protein

PubMed Central

Miao, Yinglong; Baudry, Jerome; Smith, Jeremy C.; McCammon, J. Andrew

2017-01-01

Dihedral conformational transitions are analyzed systematically in a model globular protein, cytochrome P450cam, to examine their structural and chemical dependences through combined conventional molecular dynamics (cMD), accelerated molecular dynamics (aMD) and Adaptive Biasing Force (ABF) simulations. The aMD simulations are performed at two acceleration levels, using dihedral and dual boost, respectively. In comparison with cMD, aMD samples protein dihedral transitions ~2 times faster on average using dihedral boost, and ~3.5 times faster using dual boost. In the protein backbone, significantly higher dihedral transition rates are observed in the Bend, Coil and Turn flexible regions, followed by the β bridge and β sheet, and then the helices. Moreover, protein sidechains of greater length exhibit higher transition rates on average in the aMD-enhanced sampling. Sidechains of the same length (particularly Nχ = 2) exhibit decreasing transition rates with residues when going from hydrophobic to polar, then charged and aromatic chemical types. The reduction of dihedral transition rates is found to be correlated with increasing energy barriers as identified through ABF free energy calculations. These general trends of dihedral conformational transitions provide important insights into the hierarchical dynamics and complex free energy landscapes of functional proteins. PMID:26799251

General trends of dihedral conformational transitions in a globular protein.

PubMed

Miao, Yinglong; Baudry, Jerome; Smith, Jeremy C; McCammon, J Andrew

2016-04-01

Dihedral conformational transitions are analyzed systematically in a model globular protein, cytochrome P450cam, to examine their structural and chemical dependences through combined conventional molecular dynamics (cMD), accelerated molecular dynamics (aMD) and adaptive biasing force (ABF) simulations. The aMD simulations are performed at two acceleration levels, using dihedral and dual boost, respectively. In comparison with cMD, aMD samples protein dihedral transitions approximately two times faster on average using dihedral boost, and ∼ 3.5 times faster using dual boost. In the protein backbone, significantly higher dihedral transition rates are observed in the bend, coil, and turn flexible regions, followed by the β bridge and β sheet, and then the helices. Moreover, protein side chains of greater length exhibit higher transition rates on average in the aMD-enhanced sampling. Side chains of the same length (particularly Nχ = 2) exhibit decreasing transition rates with residues when going from hydrophobic to polar, then charged and aromatic chemical types. The reduction of dihedral transition rates is found to be correlated with increasing energy barriers as identified through ABF free energy calculations. These general trends of dihedral conformational transitions provide important insights into the hierarchical dynamics and complex free energy landscapes of functional proteins. © 2016 Wiley Periodicals, Inc.

General trends of dihedral conformational transitions in a globular protein

DOE PAGES

Miao, Yinglong; Baudry, Jerome; Smith, Jeremy C.; ...

2016-02-15

In this paper, dihedral conformational transitions are analyzed systematically in a model globular protein, cytochrome P450cam, to examine their structural and chemical dependences through combined conventional molecular dynamics (cMD), accelerated molecular dynamics (aMD) and adaptive biasing force (ABF) simulations. The aMD simulations are performed at two acceleration levels, using dihedral and dual boost, respectively. In comparison with cMD, aMD samples protein dihedral transitions approximately two times faster on average using dihedral boost, and ~3.5 times faster using dual boost. In the protein backbone, significantly higher dihedral transition rates are observed in the bend, coil, and turn flexible regions, followed bymore » the β bridge and β sheet, and then the helices. Moreover, protein side chains of greater length exhibit higher transition rates on average in the aMD-enhanced sampling. Side chains of the same length (particularly Nχ = 2) exhibit decreasing transition rates with residues when going from hydrophobic to polar, then charged and aromatic chemical types. The reduction of dihedral transition rates is found to be correlated with increasing energy barriers as identified through ABF free energy calculations. In conclusion, these general trends of dihedral conformational transitions provide important insights into the hierarchical dynamics and complex free energy landscapes of functional proteins.« less

Energy levels and radiative rates for transitions in Fe V, Co VI and Ni VII

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.

2017-03-01

Energy levels, Landé g-factors and radiative lifetimes are reported for the lowest 182 levels of the 3d4, 3d34s and 3d34p configurations of Fe V, Co VI and Ni VII. Additionally, radiative rates (A-values) have been calculated for the E1, E2 and M1 transitions among these levels. The calculations have been performed in a quasi-relativistic approach (QR) with a very large configuration interaction (CI) wavefunction expansion, which has been found to be necessary for these ions. Our calculated energies for all ions are in excellent agreement with the available measurements, for most levels. Discrepancies among various calculations for the radiative rates of E1 transitions in Fe V are up to a factor of two for stronger transitions (f ≥ 0.1), and larger (over an order of magnitude) for weaker ones. The reasons for these discrepancies have been discussed and mainly are due to the differing amount of CI and methodologies adopted. However, there are no appreciable discrepancies in similar data for M1 and E2 transitions, or the g-factors for the levels of Fe V, the only ion for which comparisons are feasible.

Mixed-order phase transition in a colloidal crystal

PubMed Central

Tierno, Pietro; Casademunt, Jaume

2017-01-01

Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and nonequilibrium systems, but their experimental observation has remained elusive. Here, we analytically predict and experimentally realize a mixed-order equilibrium phase transition. Specifically, a discontinuous solid–solid transition in a 2D crystal of paramagnetic colloidal particles is induced by a magnetic field H. At the transition field Hs, the energy landscape of the system becomes completely flat, which causes diverging fluctuations and correlation length ξ∝|H2−Hs2|−1/2. Mean-field critical exponents are predicted, since the upper critical dimension of the transition is du=2. Our colloidal system provides an experimental test bed to probe the unconventional properties of mixed-order phase transitions. PMID:29158388

Water and Ethanol Droplet Wetting Transition during Evaporation on Omniphobic Surfaces

PubMed Central

Chen, Xuemei; Weibel, Justin A.; Garimella, Suresh V.

2015-01-01

Omniphobic surfaces with reentrant microstructures have been investigated for a range of applications, but the evaporation of high- and low-surface-tension liquid droplets placed on such surfaces has not been rigorously studied. In this work, we develop a technique to fabricate omniphobic surfaces on copper substrates to allow for a systematic examination of the effects of surface topography on the evaporation dynamics of water and ethanol droplets. Compared to a water droplet, the ethanol droplet not only evaporates faster, but also inhibits Cassie-to-Wenzel wetting transitions on surfaces with certain geometries. We use an interfacial energy-based description of the system, including the transition energy barrier and triple line energy, to explain the underlying transition mechanism and behaviour observed. Suppression of the wetting transition during evaporation of droplets provides an important metric for evaluating the robustness of omniphobic surfaces requiring such functionality. PMID:26603940

Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation.

PubMed

Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang

2016-09-07

A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method.

Measurement of the spectra of low energy electrons resulting from Auger transitions induced by the annihilation of low energy positrons implanted at The Ag (100) surface

NASA Astrophysics Data System (ADS)

Shastry, Karthik; Joglekar, Prasad; Weiss, A. H.; Fazleev, N. G.

2013-04-01

A few percent of positrons bound to a solid surface annihilate with core electrons resulting in highly excited atoms containing core holes. These core holes may be filled in an auto-ionizing process in which a less tightly bound electron drops into the hole and the energy difference transferred to an outgoing "Auger electron." Because the core holes are created by annihilation and not impact it is possible to use very low energy positron beams to obtain annihilation induced Auger signals. The Auger signals so obtained have little or none of the large impact induced secondary electron background that interferes with measurements of the low energy Auger spectra obtained using the much higher incident energies necessary when using electron or photon beams. Here we present the results of measurements of the energy spectrum of low energy electrons emitted as a result of Positron Annihilation Induce Auger Electron Emission [1] from a clean Ag (100) surface. The measurements were performed using the University of Texas Arlington Time of Flight Positron Annihilation induced Auger Electron Spectrometer (T-O-F-PAES) System [2]. A strong double peak was observed at ˜35eV corresponding to the N2VV and N3VV Auger transitions in agreement with previous PAES studies [3].

High Energy (X-ray/UV) Radiation Fields of Young, Low-Mass Stars Observed with Chandra and HST

NASA Astrophysics Data System (ADS)

Brown, Alexander; Brown, J. M.; Herczeg, G.; Bary, J.; Walter, F. M.; Ayres, T. R.

2010-01-01

Pre-main-sequence (PMS) stars are strong UV and X-ray emitters and the high energy (UV/X-ray) radiation from the central stars directly influences the physical and chemical processes in their protoplanetary disks. Gas and dust in protoplanetary systems are excited by these photons, which are the dominant ionization source for hundreds of AU around the star. X-rays penetrate deep into disks and power complex chemistry on grain surfaces. ``Transitional disks'' are a crucial and important evolutionary stage for PMS stars and protoplanetary systems. These disks have transformed most of the dust and gas in their inner regions into planetesimals or larger solid bodies. The disks show clear inner ``holes'' that almost certainly harbor infant planetary systems, given the very sharp gap boundaries inferred. Transitional disks are rare and represent a short-lived phase of PMS disk evolution. We have observed a sample of PMS stars at a variety of evolutionary stages, including the transitional disk stars GM Aur (K5) and HD135344B (F4). Chandra ACIS CCD-resolution X-ray spectra and HST STIS and COS FUV spectra are being used to reconstruct the full high energy (X-ray/EUV/FUV/NUV) spectra of these young stars, so as to allow detailed modeling of the physics and chemistry of their circumstellar environments, thereby providing constraints on the formation process of planetary systems. This work is supported by Chandra grants GO8-9024X, GO9-0015X and GO9-0020B and HST grants for GO projects 11336, 11828, and 11616 to the University of Colorado.

Partial glass isosymmetry transition in multiferroic hexagonal ErMn O 3

DOE PAGES

Barbour, A.; Alatas, A.; Liu, Y.; ...

2016-02-08

Ferroelectric transitions of a hexagonal multiferroic, ErMnO 3, are studied by x-ray scattering techniques. An isosymmetry transition, similar to that previously observed for YMnO 3, approximately 300 K below the well-known ferroic transition temperature is investigated. The partial glassy behavior of the isosymmetry transition is identified by appearance of quasi-elastic scattering lines in high-energy-resolution scans. The glassy behavior is further supported by the increased interlayer decorrelation of (√3×√3)R30º ordering below the isosymmetry transition. The transition behavior is considered for possible hidden sluggish modes and two-step phase transitions theoretically predicted for the stacked triangular antiferromagnets. The in-plane azimuthal (orientational) ordering behaviorsmore » were also compared to the theoretical predictions. Coherent x-ray speckle measurements show unambiguously that the domain sizes decrease anomalously near both the isosymmetry and ferroic transitions. However, domain boundary fluctuations increase monotonically with an Arrhenius form with an activation energy of 0.54(5) eV through both transitions.« less

More accurate depiction of adsorption energy on transition metals using work function as one additional descriptor.

PubMed

Shen, Xiaochen; Pan, Yanbo; Liu, Bin; Yang, Jinlong; Zeng, Jie; Peng, Zhenmeng

2017-05-24

The reaction mechanism and properties of a catalytic process are primarily determined by the interactions between reacting species and catalysts. However, the interactions are often challenging to be experimentally measured, especially for unstable intermediates. Therefore, it is of significant importance to establish an exact relationship between chemical-catalyst interactions and catalyst parameters, which will allow calculation of these interactions and thus advance their mechanistic understanding. Herein we report the description of adsorption energy on transition metals by considering both ionic bonding and covalent bonding contributions and introduce the work function as one additional responsible parameter. We find that the adsorption energy can be more accurately described using a two-dimensional (2D) polynomial model, which shows a significant improvement compared with the current adsorption energy-d-band center linear correlation. We also demonstrate the utilization of this new 2D polynomial model to calculate oxygen binding energy of different transition metals to help understand their catalytic properties in oxygen reduction reactions.

Exploring scaling relations for chemisorption energies on transition-metal-exchanged zeolites ZSM-22 and ZSM-5

DOE PAGES

Siahrostami, Samira; Falsig, Hanne; Beato, Pablo; ...

2016-01-12

Copper exchange on all the different T sites of ZSM-22 and ZSM-5 is considered and the chemisorption energies of dioxygen, OH, and O species are studied. We show that for different T sites the adsorption energies vary significantly. The oxygen adsorption energy on copper-exchanged zeolites is quite similar to those of the most selective catalysts for oxidation reactions, that is, Ag and Au surfaces. The chemisorption energies of oxygen, carbon-, and nitrogen-containing species on different transition metals exchanged in ZSM-22 are also investigated. The study covers three different oxidation states, that is, 1+, 2+, and 3+ for the transition-metal exchanges.more » Scaling relations are presented for the corresponding species. Lastly, chemisorption of O scales with chemisorption of OH for all three considered exchanges, whereas there are essentially rough correlations for NH 2 and N as well as CH 3 and C.« less

Energy and environmental policy in a period of transition. Proceedings of the twenty-third annual Illinois energy conference

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1995-12-31

The Twenty-Third Annual Illinois Energy Conference entitled, ``Energy and Environmental Policy in a Period of Transition`` was held in Chicago, Illinois on November 20--21, 1995. The conference program explored how federal policy in energy and environment is changing and how these shifts will impact the economy of the Midwest. The conference was divided in four plenary sessions. Session 1 focused on the national policy scene where speakers discussed proposed legislation to change federal energy and environmental policy. Session 2 looked at the future structure of the energy industry, projecting the roles of natural gas, the electric utility industry, and independentmore » power producers in the overall energy system of the 21st century. Session 3 examined current federal policy in research and development as a baseline for discussing the future role of government and industry in supporting research and development. In particular, it looked at the relationship between energy research and development and global competitiveness. Finally, Session 4 attempted to tie these issues together and consider the impact of national policy change on Illinois and the Midwest.« less

FERMI OBSERVATION OF THE TRANSITIONAL PULSAR BINARY XSS J12270–4859

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xing, Yi; Wang, Zhongxiang

Because of the disappearance of its accretion disk during the time period of 2012 November–December, XSS J12270–4859 has recently been identified as a transitional millisecond pulsar binary, joining PSR J1023+0038. We have carried out a detailed analysis of the Fermi Large Area Telescope data for this binary. While both spectra  are well-described by an exponentially cut-off power law before and after the disk-disappearance transition, which is typical for pulsars’ emissions in Fermi's 0.2–300 GeV band, we have detected a factor of 2 flux decrease related to the transition. A weak orbital modulation is possibly seen, but is only detectable in the after-transition data, making itmore » the same as orbital modulations found in X-rays. In the long-term light curve of the source before the transition, a factor of 3 flux variations are seen. Compared to the properties of J1023+0038, we discuss the implications from these results. We suggest that since the modulation is aligned with the modulations in X-rays in the orbital phase, it possibly arises due to the occultation of the γ-ray emitting region by the companion. The origin of the variations in the long-term light curve is not clear because the source field also contains unidentified radio or X-ray sources and their contamination cannot be excluded. Multi-wavelength observations of the source field will help identify the origin of the variations by detecting any related flux changes from the in-field sources.« less

Fine structure transitions in Fe XIV

NASA Astrophysics Data System (ADS)

Nahar, Sultana N.

2013-07-01

Results are reported for Fe XIV energy levels and transitions obtained from the ab initio relativistic Breit-Pauli R-matrix (BPRM) method. BPRM method developed under the Iron Project is capable of calculating very large number of fine structure energy levels and corresponding transitions. However, unlike in the atomic structure calculations, where levels are identified spectroscopically based on the leading percentage contributions of configurations, BPRM is incapable of such identification of the levels and hence the transitions. The main reason for it is that the percentage contributions can not be determined exactly from the large number of channels in the R-matrix space. The present report describes an identification method that uses considerations of quantum defects of channels, contributions of channel from outer regions, Hund's rule, and angular momenta algebra for addition and completeness of fine structure components. The present calculations are carried out using a close coupling wave function expansion that included 26 core excitations from configurations 2s22p63s2, 2s22p63s3p,2s22p63p2,2s22p63s3d, and 2s22p63p3d. A total of 1002 fine structure levels with n ⩽ 10, l⩽9, and 0.5 ⩽J⩽ 9.5 with even and odd parities and the corresponding 130,520 electric dipole allowed (E1) fine structure transitions, a most complete set for astrophysical modelings of spectral analysis and opacities, is presented. Large number of new energy levels are found and identified. The energies agree very well, mostly in less than 1% with the highest being 1.9%, with the 68 observed fine structure levels. While the high lying levels may have some uncertainty, an overall accuracy of energy levels should be within 10%. BPRM transitions have been benchmarked with the existing most accurate calculated transition probabilities with very good agreement for most cases. Based on the accuracy of the method and comparisons, most of the transitions can be rated with A (⩽10%) to C (�

Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

PubMed

Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

2014-10-22

We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

Land surface energy budget during dry spells: global CMIP5 AMIP simulations vs. satellite observations

NASA Astrophysics Data System (ADS)

Gallego-Elvira, Belen; Taylor, Christopher M.; Harris, Phil P.; Ghent, Darren; Folwell, Sonja S.

2015-04-01

During extended periods without rain (dry spells), the soil can dry out due to vegetation transpiration and soil evaporation. At some point in this drying cycle, land surface conditions change from energy-limited to water-limited evapotranspiration, and this is accompanied by an increase of the ground and overlying air temperatures. Regionally, the characteristics of this transition determine the influence of soil moisture on air temperature and rainfall. Global Climate Models (GCMs) disagree on where and how strongly the surface energy budget is limited by soil moisture. Flux tower observations are improving our understanding of these dry down processes, but typical heterogeneous landscapes are too sparsely sampled to ascertain a representative regional response. Alternatively, satellite observations of land surface temperature (LST) provide indirect information about the surface energy partition at 1km resolution globally. In our study, we analyse how well the dry spell dynamics of LST are represented by GCMs across the globe. We use a spatially and temporally aggregated diagnostic to describe the composite response of LST during surface dry down in rain-free periods in distinct climatic regions. The diagnostic is derived from daytime MODIS-Terra LST observations and bias-corrected meteorological re-analyses, and compared against the outputs of historical climate simulations of seven models running the CMIP5 AMIP experiment. Dry spell events are stratified by antecedent precipitation, land cover type and geographic regions to assess the sensitivity of surface warming rates to soil moisture levels at the onset of a dry spell for different surface and climatic zones. In a number of drought-prone hot spot regions, we find important differences in simulated dry spell behaviour, both between models, and compared to observations. These model biases are likely to compromise seasonal forecasts and future climate projections.

Ultimate energy density of observable cold baryonic matter.

PubMed

Lattimer, James M; Prakash, Madappa

2005-03-25

We demonstrate that the largest measured mass of a neutron star establishes an upper bound to the energy density of observable cold baryonic matter. An equation of state-independent expression satisfied by both normal neutron stars and self-bound quark matter stars is derived for the largest energy density of matter inside stars as a function of their masses. The largest observed mass sets the lowest upper limit to the density. Implications from existing and future neutron star mass measurements are discussed.

Leaving Group Ability Observably Affects Transition State Structure in a Single Enzyme Active Site.

PubMed

Roston, Daniel; Demapan, Darren; Cui, Qiang

2016-06-15

A reaction's transition state (TS) structure plays a critical role in determining reactivity and has important implications for the design of catalysts, drugs, and other applications. Here, we explore TS structure in the enzyme alkaline phosphatase using hybrid Quantum Mechanics/Molecular Mechanics simulations. We find that minor perturbations to the substrate have major effects on TS structure and the way the enzyme stabilizes the TS. Substrates with good leaving groups (LGs) have little cleavage of the phosphorus-LG bond at the TS, while substrates with poor LGs have substantial cleavage of that bond. The results predict nonlinear free energy relationships for a single rate-determining step, and substantial differences in kinetic isotope effects for different substrates; both trends were observed in previous experimental studies, although the original interpretations differed from the present model. Moreover, due to different degrees of phosphorus-LG bond cleavage at the TS for different substrates, the LG is stabilized by different interactions at the TS: while a poor LG is directly stabilized by an active site zinc ion, a good LG is mainly stabilized by active site water molecules. Our results demonstrate the considerable plasticity of TS structure and stabilization in enzymes. Furthermore, perturbations to reactivity that probe TS structure experimentally (i.e., substituent effects) may substantially perturb the TS they aim to probe, and thus classical experimental approaches such as free energy relations should be interpreted with care.

SDO Observed its First Lunar Transit

NASA Image and Video Library

2017-12-08

NASA image captured October 7, 2010 View a video of this event here: www.flickr.com/photos/gsfc/5099028189 This was a first for SDO and it was visually engaging too. On October 7, 2010, SDO observed its first lunar transit when the new Moon passed directly between the spacecraft (in its geosynchronous orbit) and the Sun. With SDO watching the Sun in a wavelength of extreme ultraviolet light, the dark Moon created a partial eclipse of the Sun. These images, while unusual and cool to see, have practical value to the SDO science team. Karel Schrijver of Lockheed-Martin's Solar and Astrophysics Lab explains: "The very sharp edge of the lunar limb allows us to measure the in-orbit characteristics of the telescope e.g., light diffraction on optics and filter support grids. Once these are characterized, we can use that information to correct our data for instrumental effects and sharpen up the images to even more detail." To learn more about SDO go to: sdo.gsfc.nasa.gov/ Credit: NASA/SDO NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics, Solar System Exploration, and Astrophysics. Goddard plays a leading role in NASA’s accomplishments by contributing compelling scientific knowledge to advance the Agency’s mission. Follow us on Twitter Join us on Facebook

Free energy landscape and transition pathways from Watson–Crick to Hoogsteen base pairing in free duplex DNA

PubMed Central

Yang, Changwon; Kim, Eunae; Pak, Youngshang

2015-01-01

Houghton (HG) base pairing plays a central role in the DNA binding of proteins and small ligands. Probing detailed transition mechanism from Watson–Crick (WC) to HG base pair (bp) formation in duplex DNAs is of fundamental importance in terms of revealing intrinsic functions of double helical DNAs beyond their sequence determined functions. We investigated a free energy landscape of a free B-DNA with an adenosine–thymine (A–T) rich sequence to probe its conformational transition pathways from WC to HG base pairing. The free energy landscape was computed with a state-of-art two-dimensional umbrella molecular dynamics simulation at the all-atom level. The present simulation showed that in an isolated duplex DNA, the spontaneous transition from WC to HG bp takes place via multiple pathways. Notably, base flipping into the major and minor grooves was found to play an important role in forming these multiple transition pathways. This finding suggests that naked B-DNA under normal conditions has an inherent ability to form HG bps via spontaneous base opening events. PMID:26250116

Alameda-Contra Costa Transit District (AC Transit) Fuel Cell Transit Buses : Evaluation Results Update

DOT National Transportation Integrated Search

2007-10-01

In early 2007, the National Renewable Energy Laboratory (NREL) published a preliminary evaluation results report1 (April through November 2006) on hydrogen fuel cell and diesel buses operating at Alameda-Contra Costa Transit District (AC Transit) in ...

High-energy solar flare observations at the Y2K maximum

NASA Astrophysics Data System (ADS)

Emslie, A. Gordon

2000-04-01

Solar flares afford an opportunity to observe processes associated with the acceleration and propagation of high-energy particles at a level of detail not accessible in any other astrophysical source. I will review some key results from previous high-energy solar flare observations, including those from the Compton Gamma-Ray Observatory, and the problems that they pose for our understanding of energy release and particle acceleration processes in the astrophysical environment. I will then discuss a program of high-energy observations to be carried out during the upcoming 2000-2001 solar maximum that is aimed at addressing and resolving these issues. A key element in this observational program is the High Energy Solar Spectroscopic Imager (HESSI) spacecraft, which will provide imaging spectroscopic observations with spatial, temporal, and energy resolutions commensurate with the physical processes believed to be operating, and will in addition provide the first true gamma-ray spectroscopy of an astrophysical source. .

Energy transfer enhancement by oxygen perturbation of spin-forbidden electronic transitions in aromatic systems

NASA Astrophysics Data System (ADS)

Monguzzi, A.; Tubino, R.; Salamone, M. M.; Meinardi, F.

2010-09-01

Triplet-triplet energy transfer in multicomponent organic systems is usually entirely ascribed to a Dexter-type mechanism involving only short-range donor/acceptor interactions. We demonstrate that the presence of molecular oxygen introduces a perturbation to the electronic structure of one of the involved moieties which can induce a large increase in the spin-forbidden transition oscillator strength so that the otherwise negligible Förster contribution dominates the overall energy transfer rate.

Transition-Metal Chalcogenide/Graphene Ensembles for Light-Induced Energy Applications.

PubMed

Kagkoura, Antonia; Skaltsas, Theodosis; Tagmatarchis, Nikos

2017-09-21

Recently, nanomaterials that harvest solar energy and convert it to other forms of energy are of great interest. In this context, transition metal chalcogenides (TMCs) have recently been in the spotlight due to their optoelectronic properties that render them potential candidates mainly in energy conversion applications. Integration of TMCs onto a strong electron-accepting material, such as graphene, yielding novel TMC/graphene ensembles is of high significance, since photoinduced charge-transfer phenomena, leading to intra-ensemble charge separation, may occur. In this review, we highlight the utility of TMC/graphene ensembles, with a specific focus on latest trends in applications, while their synthetic routes are also discussed. In fact, TMC/graphene ensembles are photocatalytically active and superior as compared to intact TMCs analogues, when examined toward photocatalytic H 2 evolution, dye degradation and redox transformations of organic compounds. Moreover, TMC/graphene ensembles have shown excellent prospect when employed in photovoltaics and biosensing applications. Finally, the future prospects of such materials are outlined. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A TRANSITION REGION EXPLOSIVE EVENT OBSERVED IN He II WITH THE MOSES SOUNDING ROCKET

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fox, J. Lewis; Kankelborg, Charles C.; Thomas, Roger J., E-mail: fox@physics.montana.ed, E-mail: kankel@solar.physics.montana.ed, E-mail: Roger.J.Thomas@nasa.go

2010-08-20

Transition region explosive events (EEs) have been observed with slit spectrographs since at least 1975, most commonly in lines of C IV (1548 A, 1550 A) and Si IV (1393 A, 1402 A). We report what we believe to be the first observation of a transition region EE in He II 304 A. With the Multi-Order Solar EUV Spectrograph (MOSES) sounding rocket, a novel slitless imaging spectrograph, we are able to see the spatial structure of the event. We observe a bright core expelling two jets that are distinctly non-collinear, in directions that are not anti-parallel. The jets have sky-planemore » velocities of order 75 km s{sup -1} and line-of-sight velocities of +75 km s{sup -1} (blue) and -30 km s{sup -1} (red). The core is a region of high non-thermal Doppler broadening, characteristic of EEs, with maximal broadening 380 km s{sup -1} FWHM. It is possible to resolve the core broadening into red and blue line-of-sight components of maximum Doppler velocities +160 km s{sup -1} and -220 km s{sup -1}. The event lasts more than 150 s. Its properties correspond to the larger, long-lived, and more energetic EEs observed in other wavelengths.« less

Observation of e+e-→ηJ/ψ at center-of-mass energy s=4.009GeV

NASA Astrophysics Data System (ADS)

Ablikim, M.; Achasov, M. N.; Ambrose, D. J.; An, F. F.; An, Q.; An, Z. H.; Bai, J. Z.; Ban, Y.; Becker, J.; Bennett, J. V.; Bertani, M.; Bian, J. M.; Boger, E.; Bondarenko, O.; Boyko, I.; Briere, R. A.; Bytev, V.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, Y. B.; Cheng, H. P.; Chu, Y. P.; Cronin-Hennessy, D.; Dai, H. L.; Dai, J. P.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; Ding, W. M.; Ding, Y.; Dong, L. Y.; Dong, M. Y.; Du, S. X.; Fang, J.; Fang, S. S.; Fava, L.; Feldbauer, F.; Feng, C. Q.; Ferroli, R. B.; Fu, C. D.; Fu, J. L.; Gao, Y.; Geng, C.; Goetzen, K.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, Y. T.; Guan, Y. H.; Guo, A. Q.; Guo, L. B.; Guo, Y. P.; Han, Y. L.; Harris, F. A.; He, K. L.; He, M.; He, Z. Y.; Held, T.; Heng, Y. K.; Hou, Z. L.; Hu, H. M.; Hu, J. F.; Hu, T.; Huang, G. M.; Huang, J. S.; Huang, X. T.; Huang, Y. P.; Hussain, T.; Ji, C. S.; Ji, Q.; Ji, X. B.; Ji, X. L.; Jiang, L. L.; Jiang, X. S.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jing, F. F.; Kalantar-Nayestanaki, N.; Kavatsyuk, M.; Kuehn, W.; Lai, W.; Lange, J. S.; Li, C. H.; Li, Cheng; Li, Cui; Li, D. M.; Li, F.; Li, G.; Li, H. B.; Li, J. C.; Li, K.; Li, Lei; Li, Q. J.; Li, S. L.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, X. R.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Liao, X. T.; Liu, B. J.; Liu, C. L.; Liu, C. X.; Liu, C. Y.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H.; Liu, H. B.; Liu, H. H.; Liu, H. M.; Liu, H. W.; Liu, J. P.; Liu, K. Y.; Liu, Kai; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, X. H.; Liu, Y. B.; Liu, Z. A.; Liu, Zhiqiang; Liu, Zhiqing; Loehner, H.; Lu, G. R.; Lu, H. J.; Lu, J. G.; Lu, Q. W.; Lu, X. R.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Lv, M.; Ma, C. L.; Ma, F. C.; Ma, H. L.; Ma, Q. M.; Ma, S.; Ma, T.; Ma, X. Y.; Ma, Y.; Maas, F. E.; Maggiora, M.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Messchendorp, J. G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Morales, C. Morales; Motzko, C.; Muchnoi, N. Yu.; Muramatsu, H.; Nefedov, Y.; Nicholson, C.; Nikolaev, I. B.; Ning, Z.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Park, J. W.; Pelizaeus, M.; Peng, H. P.; Peters, K.; Ping, J. L.; Ping, R. G.; Poling, R.; Prencipe, E.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, X. S.; Qin, Y.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Rong, G.; Ruan, X. D.; Sarantsev, A.; Schaefer, B. D.; Schulze, J.; Shao, M.; Shen, C. P.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, W. M.; Song, X. Y.; Spataro, S.; Spruck, B.; Sun, D. H.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, Y. J.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tapan, I.; Thorndike, E. H.; Toth, D.; Ullrich, M.; Varner, G. S.; Wang, B.; Wang, B. Q.; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, Q.; Wang, Q. J.; Wang, S. G.; Wang, X. L.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wei, D. H.; Weidenkaff, P.; Wen, Q. G.; Wen, S. P.; Werner, M.; Wiedner, U.; Wu, L. H.; Wu, N.; Wu, S. X.; Wu, W.; Wu, Z.; Xia, L. G.; Xiao, Z. J.; Xie, Y. G.; Xiu, Q. L.; Xu, G. F.; Xu, G. M.; Xu, H.; Xu, Q. J.; Xu, X. P.; Xu, Z. R.; Xue, F.; Xue, Z.; Yan, L.; Yan, W. B.; Yan, Y. H.; Yang, H. X.; Yang, Y.; Yang, Y. X.; Ye, H.; Ye, M.; Ye, M. H.; Yu, B. X.; Yu, C. X.; Yu, J. S.; Yu, S. P.; Yuan, C. Z.; Yuan, Y.; Zafar, A. A.; Zallo, A.; Zeng, Y.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, S. H.; Zhang, X. J.; Zhang, X. Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. S.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, H. S.; Zhao, J. W.; Zhao, K. X.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, X. H.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, Y. H.; Zhong, B.; Zhong, J.; Zhou, L.; Zhou, X. K.; Zhou, X. R.; Zhu, C.; Zhu, K.; Zhu, K. J.; Zhu, S. H.; Zhu, X. L.; Zhu, X. W.; Zhu, Y. C.; Zhu, Y. M.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.

2012-10-01

Using a 478pb-1 data sample collected with the BESIII detector operating at the Beijing Electron Positron Collider storage ring at a center-of-mass energy of s=4.009GeV, the production of e+e-→ηJ/ψ is observed for the first time with a statistical significance of greater than 10σ. The Born cross section is measured to be (32.1±2.8±1.3)pb, where the first error is statistical and the second systematic. Assuming the ηJ/ψ signal is from a hadronic transition of the ψ(4040), the fractional transition rate is determined to be B(ψ(4040)→ηJ/ψ)=(5.2±0.5±0.2±0.5)×10-3, where the first, second, and third errors are statistical, systematic, and the uncertainty from the ψ(4040) resonant parameters, respectively. The production of e+e-→π0J/ψ is searched for, but no significant signal is observed, and B(ψ(4040)→π0J/ψ)<2.8×10-4 is obtained at the 90% confidence level.

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

NASA Astrophysics Data System (ADS)

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.

Energy levels and radiative rates for transitions in Cr-like Co IV and Ni V

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Bogdanovich, P.; Karpuškienė, R.; Keenan, F. P.; Kisielius, R.; Stancalie, V.

2016-01-01

We report calculations of energy levels and radiative rates (A-values) for transitions in Cr-like Co IV and Ni V. The quasi-relativistic Hartree-Fock (QRHF) code is adopted for calculating the data although GRASP (general-purpose relativistic atomic structure package) and flexible atomic code (FAC) have also been employed for comparison purposes. No radiative rates are available in the literature to compare with our results, but our calculated energies are in close agreement with those compiled by NIST for a majority of the levels. However, there are discrepancies for a few levels of up to 3%. The A-values are listed for all significantly contributing E1, E2 and M1 transitions, and the corresponding lifetimes reported, although unfortunately no previous theoretical or experimental results exist to compare with our data.

Ultra-high-rate pseudocapacitive energy storage in two-dimensional transition metal carbides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lukatskaya, Maria R.; Kota, Sankalp; Lin, Zifeng

In this study, the use of fast surface redox storage (pseudocapacitive) mechanisms can enable devices that store much more energy than electrical double-layer capacitors (EDLCs) and, unlike batteries, can do so quite rapidly. Yet, few pseudocapacitive transition metal oxides can provide a high power capability due to their low intrinsic electronic and ionic conductivity. Here we demonstrate that two-dimensional transition metal carbides (MXenes) can operate at rates exceeding those of conventional EDLCs, but still provide higher volumetric and areal capacitance than carbon, electrically conducting polymers or transition metal oxides. We applied two distinct designs for MXene electrode architectures with improvedmore » ion accessibility to redox-active sites. A macroporous Ti 3C 2T x MXene film delivered up to 210 F g –1 at scan rates of 10 V s –1, surpassing the best carbon supercapacitors known. In contrast, we show that MXene hydrogels are able to deliver volumetric capacitance of ~1,500 F cm –3 reaching the previously unmatched volumetric performance of RuO 2.« less

Ultra-high-rate pseudocapacitive energy storage in two-dimensional transition metal carbides

NASA Astrophysics Data System (ADS)

Lukatskaya, Maria R.; Kota, Sankalp; Lin, Zifeng; Zhao, Meng-Qiang; Shpigel, Netanel; Levi, Mikhael D.; Halim, Joseph; Taberna, Pierre-Louis; Barsoum, Michel W.; Simon, Patrice; Gogotsi, Yury

2017-08-01

The use of fast surface redox storage (pseudocapacitive) mechanisms can enable devices that store much more energy than electrical double-layer capacitors (EDLCs) and, unlike batteries, can do so quite rapidly. Yet, few pseudocapacitive transition metal oxides can provide a high power capability due to their low intrinsic electronic and ionic conductivity. Here we demonstrate that two-dimensional transition metal carbides (MXenes) can operate at rates exceeding those of conventional EDLCs, but still provide higher volumetric and areal capacitance than carbon, electrically conducting polymers or transition metal oxides. We applied two distinct designs for MXene electrode architectures with improved ion accessibility to redox-active sites. A macroporous Ti3C2Tx MXene film delivered up to 210 F g-1 at scan rates of 10 V s-1, surpassing the best carbon supercapacitors known. In contrast, we show that MXene hydrogels are able to deliver volumetric capacitance of ˜1,500 F cm-3 reaching the previously unmatched volumetric performance of RuO2.

Energy-resolved collision-induced dissociation studies of 1,10-phenanthroline complexes of the late first-row divalent transition metal cations: determination of the third sequential binding energies.

PubMed

Nose, Holliness; Chen, Yu; Rodgers, M T

2013-05-23

The third sequential binding energies of the late first-row divalent transition metal cations to 1,10-phenanthroline (Phen) are determined by energy-resolved collision-induced dissociation (CID) techniques using a guided ion beam tandem mass spectrometer. Five late first-row transition metal cations in their +2 oxidation states are examined including: Fe(2+), Co(2+), Ni(2+), Cu(2+), and Zn(2+). The kinetic energy dependent CID cross sections for loss of an intact Phen ligand from the M(2+)(Phen)3 complexes are modeled to obtain 0 and 298 K bond dissociation energies (BDEs) after accounting for the effects of the internal energy of the complexes, multiple ion-neutral collisions, and unimolecular decay rates. Electronic structure theory calculations at the B3LYP, BHandHLYP, and M06 levels of theory are employed to determine the structures and theoretical estimates for the first, second, and third sequential BDEs of the M(2+)(Phen)x complexes. B3LYP was found to deliver results that are most consistent with the measured values. Periodic trends in the binding of these complexes are examined and compared to the analogous complexes to the late first-row monovalent transition metal cations, Co(+), Ni(+), Cu(+), and Zn(+), previously investigated.

Observation of the Quantum Anomalous Hall Insulator to Anderson Insulator Quantum Phase Transition and its Scaling Behavior.

PubMed

Chang, Cui-Zu; Zhao, Weiwei; Li, Jian; Jain, J K; Liu, Chaoxing; Moodera, Jagadeesh S; Chan, Moses H W

2016-09-16

Fundamental insight into the nature of the quantum phase transition from a superconductor to an insulator in two dimensions, or from one plateau to the next or to an insulator in the quantum Hall effect, has been revealed through the study of its scaling behavior. Here, we report on the experimental observation of a quantum phase transition from a quantum-anomalous-Hall insulator to an Anderson insulator in a magnetic topological insulator by tuning the chemical potential. Our experiment demonstrates the existence of scaling behavior from which we extract the critical exponent for this quantum phase transition. We expect that our work will motivate much further investigation of many properties of quantum phase transition in this new context.

Monte Carlo simulations on atropisomerism of thienotriazolodiazepines applicable to slow transition phenomena using potential energy surfaces by ab initio molecular orbital calculations.

PubMed

Morikami, Kenji; Itezono, Yoshiko; Nishimoto, Masahiro; Ohta, Masateru

2014-01-01

Compounds with a medium-sized flexible ring often show atropisomerism that is caused by the high-energy barriers between long-lived conformers that can be isolated and often have different biological properties to each other. In this study, the frequency of the transition between the two stable conformers, aS and aR, of thienotriazolodiazepine compounds with flexible 7-membered rings was estimated computationally by Monte Carlo (MC) simulations and validated experimentally by NMR experiments. To estimate the energy barriers for transitions as precisely as possible, the potential energy (PE) surfaces used in the MC simulations were calculated by molecular orbital (MO) methods. To accomplish the MC simulations with the MO-based PE surfaces in a practical central processing unit (CPU) time, the MO-based PE of each conformer was pre-calculated and stored before the MC simulations, and then only referred to during the MC simulations. The activation energies for transitions calculated by the MC simulations agreed well with the experimental ΔG determined by the NMR experiments. The analysis of the transition trajectories of the MC simulations revealed that the transition occurred not only through the transition states, but also through many different transition paths. Our computational methods gave us quantitative estimates of atropisomerism of the thienotriazolodiazepine compounds in a practical period of time, and the method could be applicable for other slow-dynamics phenomena that cannot be investigated by other atomistic simulations.