Roles of Engineering Correlations in Hypersonic Entry Boundary Layer Transition Prediction

NASA Technical Reports Server (NTRS)

Campbell, Charles H.; Anderson, Brian P.; King, Rudolph A.; Kegerise, Michael A.; Berry, Scott A.; Horvath, Thomas J.

2010-01-01

Efforts to design and operate hypersonic entry vehicles are constrained by many considerations that involve all aspects of an entry vehicle system. One of the more significant physical phenomenon that affect entry trajectory and thermal protection system design is the occurrence of boundary layer transition from a laminar to turbulent state. During the Space Shuttle Return To Flight activity following the loss of Columbia and her crew of seven, NASA's entry aerothermodynamics community implemented an engineering correlation based framework for the prediction of boundary layer transition on the Orbiter. The methodology for this implementation relies upon similar correlation techniques that have been is use for several decades. What makes the Orbiter boundary layer transition correlation implementation unique is that a statistically significant data set was acquired in multiple ground test facilities, flight data exists to assist in establishing a better correlation and the framework was founded upon state of the art chemical nonequilibrium Navier Stokes flow field simulations. Recent entry flight testing performed with the Orbiter Discovery now provides a means to validate this engineering correlation approach to higher confidence. These results only serve to reinforce the essential role that engineering correlations currently exercise in the design and operation of entry vehicles. The framework of information related to the Orbiter empirical boundary layer transition prediction capability will be utilized to establish a fresh perspective on this role, and to discuss the characteristics which are desirable in a next generation advancement. The details of the paper will review the experimental facilities and techniques that were utilized to perform the implementation of the Orbiter RTF BLT Vsn 2 prediction capability. Statistically significant results for multiple engineering correlations from a ground testing campaign will be reviewed in order to describe why only certain correlations were selected for complete implementation to support the Shuttle Program. Historical Orbiter flight data on early boundary layer transition due to protruding gap fillers will be described in relation to the selected empirical correlations. In addition, Orbiter entry flight testing results from the BLT Flight Experiment will be discussed in relation to these correlations. Applicability of such correlations to the entry design problem will be reviewed, and finally a perspective on the desirable characteristics for a next generation capability based on high fidelity physical models will be provided.

Influence of free-stream disturbances on boundary-layer transition

NASA Technical Reports Server (NTRS)

Harvey, W. D.

1978-01-01

Considerable experimental evidence exists which shows that free stream disturbances (the ratio of root-mean-square pressure fluctuations to mean values) in conventional wind tunnels increase with increasing Mach number at low supersonic to moderate hypersonic speeds. In addition to local conditions, the free stream disturbance level influences transition behavior on simple test models. Based on this observation, existing noise transition data obtained in the same test facility were correlated for a large number of reference sharp cones and flat plates and are shown to collapse along a single curve. This result is a significant improvement over previous attempts to correlate noise transition data.

Feasibility study of transit photon correlation anemometer for Ames Research Center unitary wind tunnel plan

NASA Technical Reports Server (NTRS)

Mayo, W. T., Jr.; Smart, A. E.

1979-01-01

A laser transit anemometer measured a two-dimensional vector velocity, using the transit time of scattering particles between two focused and parallel laser beams. The objectives were: (1) the determination of the concentration levels and light scattering efficiencies of naturally occurring, submicron particles in the NASA/Ames unitary wind tunnel and (2) the evaluation based on these measured data of a laser transit anemometer with digital correlation processing for nonintrusive velocity measurement in this facility. The evaluation criteria were the speeds at which point velocity measurements could be realized with this technique (as determined from computer simulations) for given accuracy requirements.

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).

Weak correlations between local density and dynamics near the glass transition.

PubMed

Conrad, J C; Starr, F W; Weitz, D A

2005-11-17

We perform experiments on two different dense colloidal suspensions with confocal microscopy to probe the relationship between local structure and dynamics near the glass transition. We calculate the Voronoi volume for our particles and show that this quantity is not a universal probe of glassy structure for all colloidal suspensions. We correlate the Voronoi volume to displacement and find that these quantities are only weakly correlated. We observe qualitatively similar results in a simulation of a polymer melt. These results suggest that the Voronoi volume does not predict dynamical behavior in experimental colloidal suspensions; a purely structural approach based on local single particle volume likely cannot describe the colloidal glass transition.

Two-component Gaussian core model: Strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition.

PubMed

Frydel, Derek; Levin, Yan

2018-01-14

In the present work, we investigate a gas-liquid transition in a two-component Gaussian core model, where particles of the same species repel and those of different species attract. Unlike a similar transition in a one-component system with particles having attractive interactions at long separations and repulsive interactions at short separations, a transition in the two-component system is not driven solely by interactions but by a specific feature of the interactions, the correlations. This leads to extremely low critical temperature, as correlations are dominant in the strong-coupling limit. By carrying out various approximations based on standard liquid-state methods, we show that a gas-liquid transition of the two-component system poses a challenging theoretical problem.

Two-component Gaussian core model: Strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition

NASA Astrophysics Data System (ADS)

Frydel, Derek; Levin, Yan

2018-01-01

In the present work, we investigate a gas-liquid transition in a two-component Gaussian core model, where particles of the same species repel and those of different species attract. Unlike a similar transition in a one-component system with particles having attractive interactions at long separations and repulsive interactions at short separations, a transition in the two-component system is not driven solely by interactions but by a specific feature of the interactions, the correlations. This leads to extremely low critical temperature, as correlations are dominant in the strong-coupling limit. By carrying out various approximations based on standard liquid-state methods, we show that a gas-liquid transition of the two-component system poses a challenging theoretical problem.

Close correlation between magnetic properties and the soft phonon mode of the structural transition in BaFe 2 As 2 and SrFe 2 As 2

DOE PAGES

Parshall, D.; Pintschovius, L.; Niedziela, Jennifer L.; ...

2015-04-27

Pmore » arent compounds of Fe-based superconductors undergo a structural phase transition from a tetragonal to an orthorhombic structure. We investigated the temperature dependence of the frequencies of TA phonons that extrapolate to the shear vibrational mode at the zone center, which corresponds to the orthorhombic deformation of the crystal structure at low temperatures in BaFe 2 As 2 and SrFe 2 As 2 . We found that acoustic phonons at small wave vectors soften gradually towards the transition from high temperatures, tracking the increase of the size of slowly fluctuating magnetic domains. On cooling below the transition to base temperature the phonons harden, following the square of the magnetic moment (which we find is proportional to the anisotropy gap). Finally, our results provide evidence for close correlation between magnetic and phonon properties in Fe-based superconductors.« less

The Impact of Credit-Based Transition Programs on Changing the Educational Aspirations of High School Seniors

ERIC Educational Resources Information Center

Howerter, Wendy Lou

2011-01-01

This correlational study samples twelfth grade (senior) students in one central Midwest high school and examines their participation in credit-based transition programs and their changes in educational aspirations. Surveys and community college data are used to collect quantitative data to address six research questions. Using Hossler and…

Molecular dynamics analysis of transitions between rotational isomers in polymethylene

NASA Astrophysics Data System (ADS)

Zúñiga, Ignacio; Bahar, Ivet; Dodge, Robert; Mattice, Wayne L.

1991-10-01

Molecular dynamics trajectories have been computed and analyzed for linear chains, with sizes ranging from C10H22 to C100H202, and for cyclic C100H200. All hydrogen atoms are included discretely. All bond lengths, bond angles, and torsion angles are variable. Hazard plots show a tendency, at very short times, for correlations between rotational isomeric transitions at bond i and i±2, in much the same manner as in the Brownian dynamics simulations reported by Helfand and co-workers. This correlation of next nearest neighbor bonds in isolated polyethylene chains is much weaker than the correlation found for next nearest neighbor CH-CH2 bonds in poly(1,4-trans-butadiene) confined to the channel formed by crystalline perhydrotriphenylene [Dodge and Mattice, Macromolecules 24, 2709 (1991)]. Less than half of the rotational isomeric transitions observed in the entire trajectory for C50H102 can be described as strongly coupled next nearest neighbor transitions. If correlated motions are identified with successive transitions, which occur within a time interval of Δt≤1 ps, only 18% of the transitions occur through cooperative motion of bonds i and i±2. An analysis of the entire data set of 2482 rotational isomeric state transitions, observed in a 3.7 ns trajectory for C50H102 at 400 K, was performed using a formalism that treats the transitions at different bonds as being independent. On time scales of 0.1 ns or longer, the analysis based on independent bonds accounts reasonably well for the results from the molecular dynamics simulations. At shorter times the molecular dynamics simulation reveals a higher mobility than implied by the analysis assuming independent bonds, presumably due to the influence of correlations that are important at shorter times.

Correlates of monoicy and dioicy in hornworts, the apparent sister group to vascular plants.

PubMed

Villarreal, Juan Carlos; Renner, Susanne S

2013-11-02

Whether male and female gametes are produced by single or separate individuals shapes plant mating and hence patterns of genetic diversity among and within populations. Haploid-dominant plants ("bryophytes": liverworts, mosses and hornworts) can have unisexual (dioicous) or bisexual (monoicous) gametophytes, and today, 68% of liverwort species, 57% of moss species, and 40% of hornwort species are dioicous. The transitions between the two sexual systems and possible correlations with other traits have been studied in liverworts and mosses, but not hornworts. Here we use a phylogeny for 98 of the 200 species of hornworts, the sister group to vascular plants, representing roughly equal proportions of all monoicous and all dioicous species, to test whether transitions in sexual systems are predominantly from monoicy to dioicy as might be expected based on studies of mosses. We further investigate possible correlations between sexual system and spore size, antheridium number, ploidy level, and diversification rate, with character selection partly based on findings in mosses and liverworts. Hornworts underwent numerous transitions between monoicy and dioicy. The transition rate from dioicy to monoicy was 2× higher than in the opposite direction, but monoicous groups have higher extinction rates; diversification rates do not correlate with sexual system. A correlation important in mosses, that between monoicy and polyploidy, apparently plays a small role: of 20 species with chromosome counts, only one is polyploid, the monoicous Anthoceros punctatus. A contingency test revealed that transitions to dioicy were more likely in species with small spores, supporting the hypothesis that small but numerous spores may be advantageous for dioicous species that depend on dense carpets of gametophytes for reproductive assurance. However, we found no evidence for increased antheridium-per-chamber numbers in dioicous species. Sexual systems in hornworts are labile, and the higher number of extant monoicous species (60%) may be largely due to frequent transitions to monoicy.

Discrete Roughness Transition for Hypersonic Flight Vehicles

NASA Technical Reports Server (NTRS)

Berry, Scott A.; Horvath, Thomas J.

2007-01-01

The importance of discrete roughness and the correlations developed to predict the onset of boundary layer transition on hypersonic flight vehicles are discussed. The paper is organized by hypersonic vehicle applications characterized in a general sense by the boundary layer: slender with hypersonic conditions at the edge of the boundary layer, moderately blunt with supersonic, and blunt with subsonic. This paper is intended to be a review of recent discrete roughness transition work completed at NASA Langley Research Center in support of agency flight test programs. First, a review is provided of discrete roughness wind tunnel data and the resulting correlations that were developed. Then, results obtained from flight vehicles, in particular the recently flown Hyper-X and Shuttle missions, are discussed and compared to the ground-based correlations.

A Spalart-Allmaras local correlation-based transition model for Thermo-fuid dynamics

NASA Astrophysics Data System (ADS)

D'Alessandro, V.; Garbuglia, F.; Montelpare, S.; Zoppi, A.

2017-11-01

The study of innovative energy systems often involves complex fluid flows problems and the Computational Fluid-Dynamics (CFD) is one of the main tools of analysis. It is important to put in evidence that in several energy systems the flow field experiences the laminar-to-turbulent transition. Direct Numerical Simulations (DNS) or Large Eddy Simulation (LES) are able to predict the flow transition but they are still inapplicable to the study of real problems due to the significant computational resources requirements. Differently standard Reynolds Averaged Navier Stokes (RANS) approaches are not always reliable since they assume a fully turbulent regime. In order to overcome this drawback in the recent years some locally formulated transition RANS models have been developed. In this work, we present a local correlation-based transition approach adding two equations that control the laminar-toturbulent transition process -γ and \\[\\overset{}{\\mathop{{{\\operatorname{Re}}θ, \\text{t}}}} \\] - to the well-known Spalart-Allmaras (SA) turbulence model. The new model was implemented within OpenFOAM code. The energy equation is also implemented in order to evaluate the model performance in thermal-fluid dynamics applications. In all the considered cases a very good agreement between numerical and experimental data was observed.

From antiferromagnetic insulator to correlated metal in pressurized and doped LaMnPO.

PubMed

Simonson, J W; Yin, Z P; Pezzoli, M; Guo, J; Liu, J; Post, K; Efimenko, A; Hollmann, N; Hu, Z; Lin, H-J; Chen, C-T; Marques, C; Leyva, V; Smith, G; Lynn, J W; Sun, L L; Kotliar, G; Basov, D N; Tjeng, L H; Aronson, M C

2012-07-03

Widespread adoption of superconducting technologies awaits the discovery of new materials with enhanced properties, especially higher superconducting transition temperatures T(c). The unexpected discovery of high T(c) superconductivity in cuprates suggests that the highest T(c)s occur when pressure or doping transform the localized and moment-bearing electrons in antiferromagnetic insulators into itinerant carriers in a metal, where magnetism is preserved in the form of strong correlations. The absence of this transition in Fe-based superconductors may limit their T(c)s, but even larger T(c)s may be possible in their isostructural Mn analogs, which are antiferromagnetic insulators like the cuprates. It is generally believed that prohibitively large pressures would be required to suppress the effects of the strong Hund's rule coupling in these Mn-based compounds, collapsing the insulating gap and enabling superconductivity. Indeed, no Mn-based compounds are known to be superconductors. The electronic structure calculations and X-ray diffraction measurements presented here challenge these long held beliefs, finding that only modest pressures are required to transform LaMnPO, isostructural to superconducting host LaFeAsO, from an antiferromagnetic insulator to a metallic antiferromagnet, where the Mn moment vanishes in a second pressure-driven transition. Proximity to these charge and moment delocalization transitions in LaMnPO results in a highly correlated metallic state, the familiar breeding ground of superconductivity.

Bilateral transit time assessment of upper and lower limbs as a surrogate ankle brachial index marker.

PubMed

Foo, Jong Yong Abdiel

2008-01-01

Ankle brachial index is useful in monitoring the pathogenesis of peripheral arterial occlusive diseases. Sphygmomanometer is the standard instrument widely used but frequent prolonged monitoring can be less comfortable for patients. Pulse transit time is known to be inversely correlated with blood pressure and a ratio-based pulse transit time measurement has been proposed as a surrogate ankle brachial index marker. In this study, 17 normotensive adults (9 men; aged 25.4 +/- 3.9 years) were recruited. Two postural change test activities were performed to induce changes in the stiffness of the arterial wall of the moved periphery. Results showed that only readings from the limbs that adopted a new posture registered significant blood pressure and pulse transit time changes (P < .05). Furthermore, there was significant correlation between the ankle brachial index and pulse transit time ratio measure for both test activities (R(2) > or = 0.704). The findings herein suggest that pulse transit time ratio is a surrogate and accommodating ankle brachial index marker.

CORRELATION OF THE GLASS TRANSITION TEMPERATURE OF PLASTICIZED PVC USING A LATTICE FLUID MODEL

EPA Science Inventory

A model has been developed to describe the composition dependence of the glass transition temperature (Tg) of polyvinyl chloride (PVC) + plasticizer mixtures. The model is based on Sanchez-Lacombe equation of state and the Gibbs-Di Marzio criterion, which states that th...

Status in calculating electronic excited states in transition metal oxides from first principles.

PubMed

Bendavid, Leah Isseroff; Carter, Emily Ann

2014-01-01

Characterization of excitations in transition metal oxides is a crucial step in the development of these materials for photonic and optoelectronic applications. However, many transition metal oxides are considered to be strongly correlated materials, and their complex electronic structure is challenging to model with many established quantum mechanical techniques. We review state-of-the-art first-principles methods to calculate charged and neutral excited states in extended materials, and discuss their application to transition metal oxides. We briefly discuss developments in density functional theory (DFT) to calculate fundamental band gaps, and introduce time-dependent DFT, which can model neutral excitations. Charged excitations can be described within the framework of many-body perturbation theory based on Green's functions techniques, which predominantly employs the GW approximation to the self-energy to facilitate a feasible solution to the quasiparticle equations. We review the various implementations of the GW approximation and evaluate each approach in its calculation of fundamental band gaps of many transition metal oxides. We also briefly review the related Bethe-Salpeter equation (BSE), which introduces an electron-hole interaction between GW-derived quasiparticles to describe accurately neutral excitations. Embedded correlated wavefunction theory is another framework used to model localized neutral or charged excitations in extended materials. Here, the electronic structure of a small cluster is modeled within correlated wavefunction theory, while its coupling to its environment is represented by an embedding potential. We review a number of techniques to represent this background potential, including electrostatic representations and electron density-based methods, and evaluate their application to transition metal oxides.

Wave climate, sediment supply and the depth of the sand-mud transition: A global survey

USGS Publications Warehouse

George, D.A.; Hill, P.S.

2008-01-01

The influences of wave climate and sediment supply on the depths of sand-mud transitions (hSMT) are investigated. Depths of sand-mud transitions (SMT) are based on published granulometric data from surface samples gathered from 14 sites in different wave-dominated coastal environments with fluvial input, including high energy (Columbia, Eel, Russian, San Lorenzo, Copper, and Nepean rivers), moderate energy (Ebro, Nile, Santa Clara, Tseng-wen and Kao-ping rivers), and low energy (Po, Pescara and Tronto rivers) regimes. Geometric mean diameter (GMD) and mud percent are compiled from samples along shore-normal transects, and significant correlation is found between these two textural descriptors. Nominally, the SMT is defined as the transition from GMD > 63????m to 25% mud. This dual definition is applied to the 14 systems, and hSMT is tabulated for each system. Correlation is found between hSMT and the depth at which wave-induced bottom shear stress equals the critical erosion shear stress of the largest mud particles and also between hSMT and significant wave height. Lack of correlation between hSMT and sediment load of nearby rivers indicates either that the influence of sediment supply on depth of the sand-mud transition is small or is not adequately represented in this study. Shelf width and slope do not correlate with residuals from a formalized linear relationship between hSMT and significant wave height. The relationship between hSMT and wave climate is useful for calibration of numerical models of erosion and deposition in wave-dominated coastal environments, for prediction of seabed properties in remote or inaccessible areas, and for reconstruction of paleodepth based on facies changes from sand to mud in ancient rocks. ?? 2008.

Clinical application of pulse transit time and correlation with intrapartum fetal heart rate monitoring: a preliminary study of 18 full-term infants.

PubMed

Kawagoe, Yasuyuki; Sameshima, Hiroshi; Ikenoue, Tsuyomu

2008-07-01

The authors show that pulse transit time and blood pressure are reciprocal in fetal goat models. They applied this technique in clinical settings to correlate changes in pulse transit time with fetal heart rate monitoring patterns and acid-base status. In 18 uncomplicated pregnancies, pulse transit time was obtained from electrocardiograms to pulse oximeter waveform and averaged during each baseline period, defined by the interpretation of fetal heart rate monitoring. According to a > 10% change from the control value, chronological changes were categorized into shortened, unchanged, and prolonged. Pulse transit time was available in 82% +/- 11% of the recordings. In 15 fetuses, 2 (13%) showed prolonged, 7 (47%) showed shortened, and 6 (40%) showed unchanged conditions. Comparisons of the shortened and unchanged categories revealed that severe variable deceleration was significantly increased, and half or more fetuses showed hypoxemia in the shortened category. Shortening of pulse transit time, theoretically indicating a hypertensive condition, was more frequently associated with severe variable decelerations, suggesting that the pulse transit time may supplement the interpretation of fetal heart rate monitoring.

Stability theory applications to laminar-flow control

NASA Technical Reports Server (NTRS)

Malik, Mujeeb R.

1987-01-01

In order to design Laminar Flow Control (LFC) configurations, reliable methods are needed for boundary-layer transition predictions. Among the available methods, there are correlations based upon R sub e, shape factors, Goertler number and crossflow Reynolds number. The most advanced transition prediction method is based upon linear stability theory in the form of the e sup N method which has proven to be successful in predicting transition in two- and three-dimensional boundary layers. When transition occurs in a low disturbance environment, the e sup N method provides a viable design tool for transition prediction and LFC in both 2-D and 3-D subsonic/supersonic flows. This is true for transition dominated by either TS, crossflow, or Goertler instability. If Goertler/TS or crossflow/TS interaction is present, the e sup N will fail to predict transition. However, there is no evidence of such interaction at low amplitudes of Goertler and crossflow vortices.

Discrete Roughness Effects on Shuttle Orbiter at Mach 6

NASA Technical Reports Server (NTRS)

Berry, Scott A.; Hamilton, H. Harris, II

2002-01-01

Discrete roughness boundary layer transition results on a Shuttle Orbiter model in the NASA Langley Research Center 20-Inch Mach 6 Air Tunnel have been reanalyzed with new boundary layer calculations to provide consistency for comparison to other published results. The experimental results were previously obtained utilizing the phosphor thermography system to monitor the status of the boundary layer via global heat transfer images of the Orbiter windward surface. The size and location of discrete roughness elements were systematically varied along the centerline of the 0.0075-scale model at an angle of attack of 40 deg and the boundary layer response recorded. Various correlative approaches were attempted, with the roughness transition correlations based on edge properties providing the most reliable results. When a consistent computational method is used to compute edge conditions, transition datasets for different configurations at several angles of attack have been shown to collapse to a well-behaved correlation.

MICRO-SCALE CFD MODELING OF OSCILLATING FLOW IN A REGENERATOR

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

Cheadle, M. J.; Nellis, G. F.; Klein, S. A.

2010-04-09

Regenerator models used by designers are macro-scale models that do not explicitly consider interactions between the fluid and the solid matrix. Rather, the heat transfer coefficient and pressure drop are calculated using correlations for Nusselt number and friction factor. These correlations are typically based on steady flow data. The error associated with using steady flow correlations to characterize the oscillatory flow that is actually present in the regenerator is not well understood. Oscillating flow correlations based on experimental data do exist in the literature; however, these results are often conflicting. This paper uses a micro-scale computational fluid dynamic (CFD) modelmore » of a unit-cell of a regenerator matrix to determine the conditions for which oscillating flow affects friction factor. These conditions are compared to those found in typical pulse tube regenerators to determine whether oscillatory flow is of practical importance. CFD results clearly show a transition Valensi number beyond which oscillating flow significantly increases the friction factor. This transition Valensi number increases with Reynolds number. Most practical pulse tube regenerators will operate below this Valensi transition number and therefore this study suggests that the effect of flow oscillation on pressure drop can be neglected in macro-scale regenerator models.« less

Hypersonic Boundary-Layer Transition for X-33 Phase 2 Vehicle

NASA Technical Reports Server (NTRS)

Thompson, Richard A.; Hamilton, Harris H., II; Berry, Scott A.; Horvath, Thomas J.; Nowak, Robert J.

1998-01-01

A status review of the experimental and computational work performed to support the X-33 program in the area of hypersonic boundary-layer transition is presented. Global transition fronts are visualized using thermographic phosphor measurements. Results are used to derive transition correlations for "smooth body" and discrete roughness data and a computational tool is developed to predict transition onset for X-33 using these results. The X-33 thermal protection system appears to be conservatively designed for transition effects based on these studies. Additional study is needed to address concerns related to surface waviness. A discussion of future test plans is included.

Family Correlates of Trajectories of Academic Motivation During a School Transition: A Semiparametric Group-Based Approach

ERIC Educational Resources Information Center

Ratelle, Catherine F.; Guay, Frederic; Larose, Simon; Senecal, Caroline

2004-01-01

The present study examined whether academic motivations, conceptualized from the stance of self-determination theory, fluctuate over time in a homogeneous or heterogeneous fashion during a school transition. Three objectives were pursued: First, motivational trajectories were studied using the conventional, homogeneous approach. Second, the…

Pressure-induced phase transitions and correlation between structure and superconductivity in iron-based superconductor Ce(O(0.84)F(0.16))FeAs.

PubMed

Zhao, Jinggeng; Liu, Haozhe; Ehm, Lars; Dong, Dawei; Chen, Zhiqiang; Liu, Qingqing; Hu, Wanzheng; Wang, Nanlin; Jin, Changqing

2013-07-15

High-pressure angle-dispersive X-ray diffraction experiments on iron-based superconductor Ce(O(0.84)F(0.16))FeAs were performed up to 54.9 GPa at room temperature. A tetragonal to tetragonal isostructural phase transition starts at about 13.9 GPa, and a new high-pressure phase has been found above 33.8 GPa. At pressures above 19.9 GPa, Ce(O(0.84)F(0.16))FeAs completely transforms to a high-pressure tetragonal phase, which remains in the same tetragonal structure with a larger a-axis and smaller c-axis than those of the low-pressure tetragonal phase. The structure analysis shows a discontinuity in the pressure dependences of the Fe-As and Ce-(O, F) bond distances, as well as the As-Fe-As and Ce-(O, F)-Ce bond angles in the transition region, which correlates with the change in T(c) of this compound upon compression. The isostructural phase transition in Ce(O(0.84)F(0.16))FeAs leads to a drastic drop in the superconducting transition temperature T(c) and restricts the superconductivity at low temperature. For the 1111-type iron-based superconductors, the structure evolution and following superconductivity changes under compression are related to the radius of lanthanide cations in the charge reservoir layer.

Quantification of correlations in quantum many-particle systems.

PubMed

Byczuk, Krzysztof; Kuneš, Jan; Hofstetter, Walter; Vollhardt, Dieter

2012-02-24

We introduce a well-defined and unbiased measure of the strength of correlations in quantum many-particle systems which is based on the relative von Neumann entropy computed from the density operator of correlated and uncorrelated states. The usefulness of this general concept is demonstrated by quantifying correlations of interacting electrons in the Hubbard model and in a series of transition-metal oxides using dynamical mean-field theory.

Structure identification within a transitioning swept-wing boundary layer

NASA Astrophysics Data System (ADS)

Chapman, Keith Lance

1997-08-01

Extensive measurements are made in a transitioning swept-wing boundary layer using hot-film, hot-wire and cross-wire anemometry. The crossflow-dominated flow contains stationary vortices that breakdown near mid-chord. The most amplified vortex wavelength is forced by the use of artificial roughness elements near the leading edge. Two-component velocity and spanwise surface shear-stress correlation measurements are made at two constant chord locations, before and after transition. Streamwise surface shear stresses are also measured through the entire transition region. Correlation techniques are used to identify stationary structures in the laminar regime and coherent structures in the turbulent regime. Basic techniques include observation of the spatial correlations and the spatially distributed auto-spectra. The primary and secondary instability mechanisms are identified in the spectra in all measured fields. The primary mechanism is seen to grow, cause transition and produce large-scale turbulence. The secondary mechanism grows through the entire transition region and produces the small-scale turbulence. Advanced techniques use linear stochastic estimation (LSE) and proper orthogonal decomposition (POD) to identify the spatio-temporal evolutions of structures in the boundary layer. LSE is used to estimate the instantaneous velocity fields using temporal data from just two spatial locations and the spatial correlations. Reference locations are selected using maximum RMS values to provide the best available estimates. POD is used to objectively determine modes characteristic of the measured flow based on energy. The stationary vortices are identified in the first laminar modes of each velocity component and shear component. Experimental evidence suggests that neighboring vortices interact and produce large coherent structures with spanwise periodicity at double the stationary vortex wavelength. An objective transition region detection method is developed using streamwise spatial POD solutions which isolate the growth of the primary and secondary instability mechanisms in the first and second modes, respectively. Temporal evolutions of dominant POD modes in all measured fields are calculated. These scalar POD coefficients contain the integrated characteristics of the entire field, greatly reducing the amount of data to characterize the instantaneous field. These modes may then be used to train future flow control algorithms based on neural networks.

Structure Identification Within a Transitioning Swept-Wing Boundary Layer

NASA Technical Reports Server (NTRS)

Chapman, Keith; Glauser, Mark

1996-01-01

Extensive measurements are made in a transitioning swept-wing boundary layer using hot-film, hot-wire and cross-wire anemometry. The crossflow-dominated flow contains stationary vortices that breakdown near mid-chord. The most amplified vortex wavelength is forced by the use of artificial roughness elements near the leading edge. Two-component velocity and spanwise surface shear-stress correlation measurements are made at two constant chord locations, before and after transition. Streamwise surface shear stresses are also measured through the entire transition region. Correlation techniques are used to identify stationary structures in the laminar regime and coherent structures in the turbulent regime. Basic techniques include observation of the spatial correlations and the spatially distributed auto-spectra. The primary and secondary instability mechanisms are identified in the spectra in all measured fields. The primary mechanism is seen to grow, cause transition and produce large-scale turbulence. The secondary mechanism grows through the entire transition region and produces the small-scale turbulence. Advanced techniques use Linear Stochastic Estimation (LSE) and Proper Orthogonal Decomposition (POD) to identify the spatio-temporal evolutions of structures in the boundary layer. LSE is used to estimate the instantaneous velocity fields using temporal data from just two spatial locations and the spatial correlations. Reference locations are selected using maximum RMS values to provide the best available estimates. POD is used to objectively determine modes characteristic of the measured flow based on energy. The stationary vortices are identified in the first laminar modes of each velocity component and shear component. Experimental evidence suggests that neighboring vortices interact and produce large coherent structures with spanwise periodicity at double the stationary vortex wavelength. An objective transition region detection method is developed using streamwise spatial POD solutions which isolate the growth of the primary and secondary instability mechanisms in the first and second modes, respectively. Temporal evolutions of dominant POD modes in all measured fields are calculated. These scalar POD coefficients contain the integrated characteristics of the entire field, greatly reducing the amount of data to characterize the instantaneous field. These modes may then be used to train future flow control algorithms based on neural networks.

Psychometric Evaluation of the Hospital Culture of Transitions Survey.

PubMed

McClelland, Mark; Bena, James; Albert, Nancy M; Pines, Jesse M

2017-10-01

Ineffective or inefficient transitions threaten patient safety, hinder communication, and worsen patient outcomes. The Hospital Culture of Transitions (H-CulT) survey was designed to assess a hospital's organizational culture related to within-hospital transitions in care involving patient movement. In this article, psychometric properties of the H-CulT survey were examined to assess and refine the hospital culture of transitions. A cross-sectional, multicenter, multidisciplinary correlational design and survey methods were used to examine the psychometric properties of the H-CulT survey. Exploratory factor analysis was used to quantify the accuracy of the previously identified structure. Specifically, the analysis involved the principal axis factor method with an oblique rotation, based on a polychoric correlation matrix. A sample of 492 respondents from 13 diverse hospitals participated. Cronbach's alpha for the instrument was 0.88, indicating strong internal consistency. Seven subscales emerged and were labeled: Hospital Leadership, Unit Leadership, My Unit's Culture, Other Units' Culture, Busy Workload, Priority of Patient Care, and Use of Data. Correlations between subscales ranged from 0.07 to 0.52, providing evidence that the subscales did not measure the same construct. Subscale correlations with the total score were near or above 0.50 (p <0.001). Use of a factor-loading cutoff of 0.40 resulted in the elimination of 12 items because of weak associations with the topic. The H-CulT is a psychometrically sound and practical survey for assessing hospital culture related to patient flow during transitions in care. Survey results may prompt quality improvement interventions that enhance in-hospital transitions and improve staff satisfaction and patient satisfaction with care. Copyright © 2017 The Joint Commission. Published by Elsevier Inc. All rights reserved.

A Delphi Study to Operationalize Evidence-Based Predictors in Secondary Transition

ERIC Educational Resources Information Center

Rowe, Dawn A.; Alverson, Charlotte Y.; Unruh, Deanne K.; Fowler, Catherine H.; Kellems, Ryan; Test, David W.

2015-01-01

Although there are many activities (e.g., transition services), derived from correlational research, that occur while students are in school that increase the likelihood of positive post-school outcomes, many teachers continue to provide services shown to have little to no effect on outcomes of students with disabilities. The purpose of this study…

Prospective evaluation of a bivalirudin to warfarin transition nomogram.

PubMed

Hohlfelder, Benjamin; Sylvester, Katelyn W; Rimsans, Jessica; DeiCicchi, David; Connors, Jean M

2017-05-01

Bivalirudin may cause a falsely prolonged international normalized ratio (INR) that complicates the discontinuation of bivalirudin when used as a bridge to warfarin. To prospectively validate our novel bivalirudin to warfarin transition nomogram, adult patients who received bivalirudin as a bridge to warfarin between July 2015 and June 2016 were prospectively evaluated, utilizing our predictive nomogram. The major outcome of our analysis was the correlation between the predicted change in INR upon bivalirudin discontinuation based on the nomogram, and the actual change in INR upon bivalirudin discontinuation. The major outcome was analyzed using the Pearson's correlation test. A Pearson's correlation coefficient >0.6 was considered to be a strong correlation. Bivalirudin was used as a bridge to warfarin in 29 patients. The majority of patients (86%) included in the analysis had a ventricular assist device. The median initial bivalirudin rate was 0.07 mg/kg/h and the mean increase in INR when starting bivalirudin was 0.6. The mean final weight-based bivalirudin rate was 0.08 mg/kg/h and the mean change in INR after stopping bivalirudin was 0.7. The Pearson correlation coefficient between the predicted change in INR upon bivalirudin discontinuation and the actual change in INR upon bivalirudin discontinuation was 0.86 (p < 0.001). After bivalirudin discontinuation, 68% of patients had a therapeutic INR. The results of this prospective analysis successfully validated our novel bivalirudin to warfarin transition nomogram. There was a very strong correlation between the predicted change and actual change in INR upon bivalirudin discontinuation.

Effect of non-stationary accretion on spectral state transitions: An example of a persistent neutron star LMXB 4U1636–536

NASA Astrophysics Data System (ADS)

Zhang, Hui; Yu, Wen-Fei

2018-03-01

Observations of black hole and neutron star X-ray binaries show that the luminosity of the hard-to-soft state transition is usually higher than that of the soft-to-hard state transition, indicating additional parameters other than mass accretion rate are required to interpret spectral state transitions. It has been found in some individual black hole or neutron star soft X-ray transients that the luminosity corresponding to the hard-to-soft state transition is positively correlated with the peak luminosity of the following soft state. In this work, we report the discovery of the same correlation in the single persistent neutron star low mass X-ray binary (LMXB) 4U 1636–536 based on data from the All Sky Monitor (ASM) on board RXTE, the Gas Slit Camera (GSC) on board MAXI and the Burst Alert Telescope (BAT) on board Swift. We also found such a positive correlation holds in this persistent neutron star LMXB in a luminosity range spanning about a factor of four. Our results indicate that non-stationary accretion also plays an important role in driving X-ray spectral state transitions in persistent accreting systems with small accretion flares, which is much less dramatic compared with the bright outbursts seen in many Galactic LMXB transients.

Analysis of Crossflow Transition Flight Experiment aboard the Pegasus Launch Vehicle

NASA Technical Reports Server (NTRS)

Malik, Mujeeb R.; Li, Fei; Choudhan, Meelan

2007-01-01

The Pegasus wing-glove flight experiment was designed to provide crossflow transition data at high Mach numbers, specifically to help validate stability based predictions for transition onset in a flight environment. This paper provides an analysis of the flight experiment, with emphasis on computational results for crossflow disturbances and the correlation of disturbance growth factors with in-flight transition locations via the e(sup N) method. Implications of the flight data for attachment line stability are also examined. Analysis of the thermocouple data reveals that transition (from turbulent to laminar flow) was first detected during the ascending flight of the rocket when the free stream Mach number exceeded about 4. Therefore, computations have been performed for flight Mach numbers of 4.13, 4.35, 4.56 and 4.99. Due to continually decreasing unit Reynolds number at higher altitudes, the entire wing-glove boundary layer became laminar at the highest flight Mach number computed above. In contrast, the boundary layer flow over the inboard tile region remained transitional up to and somewhat beyond the time of laminarization over the instrumented glove region. Linear stability predictions confirmed that the tile boundary layer is indeed more unstable to crossflow disturbances than the much colder stainless steel glove boundary layer. The transition locations based on thermocouple data from both the glove and the tile regions are found to correlate with stationary-crossflow N-factors within the range of 7 to 12.4 and with traveling mode N-factors between 7.6 and 14.1. Data from the thermocouples and hot film sensors indicates that transition from turbulent to laminar flow (i.e., laminarization) at a fixed point over the glove is generally completed within a flight time interval of 3 seconds. However, the times at which transition begins and ends as inferred from the hot film sensors are found to differ by about 2 seconds from the corresponding estimates based on the thermocouple data.

Identifying factors associated with fast food consumption among adolescents in Beijing China using a theory-based approach.

PubMed

Ma, R; Castellanos, D C; Bachman, J

2016-07-01

China is in the midst of the nutrition transition with increasing rates of obesity and dietary changes. One contributor is the increase in fast food chains within the country. The purpose of this study was to develop a theory-based instrument that explores influencing factors of fast food consumption in adolescents residing in Beijing, China. Cross-sectional study. Value expectancy and theory of planned behaviour were utilised to explore influencing factors of fast food consumption in the target population. There were 201 Chinese adolescents between the ages of 12 and 18. Cronbach's alpha correlation coefficients were used to examine internal reliability of the theory-based questionnaire. Bivariate correlations and a MANOVA were utilised to determine the relationship between theory-based constructs, body mass index (BMI)-for-age and fast food intake frequency as well as to determine differences in theory-based scores among fast food consumption frequency groupings. The theory-based questionnaire showed good reliability. Furthermore, there was a significant difference in the theory-based subcategory scores between fast food frequency groups. A significant positive correlation was observed between times per week fast food was consumed and each theory-based subscale score. Using BMI-for-age of 176 participants, 81% were normal weight and 19% were considered overweight or obese. Results showed consumption of fast food to be on average 1.50 ± 1.33 per week. The relationship between BMI-for-age and times per week fast food was consumed was not significant. As the nutrition transition continues and fast food chains expand, it is important to explore factors effecting fast food consumption in China. Interventions targeting influencing factors can be developed to encourage healthy dietary choice in the midst of this transition. Copyright © 2016. Published by Elsevier Ltd.

Individual versus interprofessional team performance in formulating care transition plans: A randomised study of trainees from five professional groups.

PubMed

Farrell, Timothy W; Supiano, Katherine P; Wong, Bob; Luptak, Marilyn K; Luther, Brenda; Andersen, Troy C; Wilson, Rebecca; Wilby, Frances; Yang, Rumei; Pepper, Ginette A; Brunker, Cherie P

2018-05-01

Health professions trainees' performance in teams is rarely evaluated, but increasingly important as the healthcare delivery systems in which they will practice move towards team-based care. Effective management of care transitions is an important aspect of interprofessional teamwork. This mixed-methods study used a crossover design to randomise health professions trainees to work as individuals and as teams to formulate written care transition plans. Experienced external raters assessed the quality of the written care transition plans as well as both the quality of team process and overall team performance. Written care transition plan quality did not vary between individuals and teams (21.8 vs. 24.4, respectively, p = 0.42). The quality of team process did not correlate with the quality of the team-generated written care transition plans (r = -0.172, p = 0.659). However, there was a significant correlation between the quality of team process and overall team performance (r = 0.692, p = 0.039). Teams with highly engaged recorders, performing an internal team debrief, had higher-quality care transition plans. These results suggest that high-quality interprofessional care transition plans may require advance instruction as well as teamwork in finalising the plan.

Mouse Activity across Time Scales: Fractal Scenarios

PubMed Central

Lima, G. Z. dos Santos; Lobão-Soares, B.; do Nascimento, G. C.; França, Arthur S. C.; Muratori, L.; Ribeiro, S.; Corso, G.

2014-01-01

In this work we devise a classification of mouse activity patterns based on accelerometer data using Detrended Fluctuation Analysis. We use two characteristic mouse behavioural states as benchmarks in this study: waking in free activity and slow-wave sleep (SWS). In both situations we find roughly the same pattern: for short time intervals we observe high correlation in activity - a typical 1/f complex pattern - while for large time intervals there is anti-correlation. High correlation of short intervals ( to : waking state and to : SWS) is related to highly coordinated muscle activity. In the waking state we associate high correlation both to muscle activity and to mouse stereotyped movements (grooming, waking, etc.). On the other side, the observed anti-correlation over large time scales ( to : waking state and to : SWS) during SWS appears related to a feedback autonomic response. The transition from correlated regime at short scales to an anti-correlated regime at large scales during SWS is given by the respiratory cycle interval, while during the waking state this transition occurs at the time scale corresponding to the duration of the stereotyped mouse movements. Furthermore, we find that the waking state is characterized by longer time scales than SWS and by a softer transition from correlation to anti-correlation. Moreover, this soft transition in the waking state encompass a behavioural time scale window that gives rise to a multifractal pattern. We believe that the observed multifractality in mouse activity is formed by the integration of several stereotyped movements each one with a characteristic time correlation. Finally, we compare scaling properties of body acceleration fluctuation time series during sleep and wake periods for healthy mice. Interestingly, differences between sleep and wake in the scaling exponents are comparable to previous works regarding human heartbeat. Complementarily, the nature of these sleep-wake dynamics could lead to a better understanding of neuroautonomic regulation mechanisms. PMID:25275515

Invalidity of the Fermi liquid theory and magnetic phase transition in quasi-1D dopant-induced armchair-edged graphene nanoribbons

NASA Astrophysics Data System (ADS)

Hoi, Bui Dinh; Davoudiniya, Masoumeh; Yarmohammadi, Mohsen

2018-04-01

Based on theoretically tight-binding calculations considering nearest neighbors and Green's function technique, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons with width ranging from 9.83 Å to 69.3 Å would be observed in the presence of injecting electrons by doping. This transition is explained by the temperature-dependent static charge susceptibility through calculation of the correlation function of charge density operators. This work showed that charge concentration of dopants in such system plays a crucial role in determining the magnetic phase. A variety of multicritical points such as transition temperatures and maximum susceptibility are compared in undoped and doped cases. Our findings show that there exist two different transition temperatures and maximum susceptibility depending on the ribbon width in doped structures. Another remarkable point refers to the invalidity (validity) of the Fermi liquid theory in nanoribbons-based systems at weak (strong) concentration of dopants. The obtained interesting results of magnetic phase transition in such system create a new potential for magnetic graphene nanoribbon-based devices.

Comparison of Methods for Determining Boundary Layer Edge Conditions for Transition Correlations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Berry, Scott A.; Hollis, Brian R.; Horvath, Thomas J.

2003-01-01

Data previously obtained for the X-33 in the NASA Langley Research Center 20-Inch Mach 6 Air Tunnel have been reanalyzed to compare methods for determining boundary layer edge conditions for use in transition correlations. The experimental results were previously obtained utilizing the phosphor thermography technique to monitor the status of the boundary layer downstream of discrete roughness elements via global heat transfer images of the X-33 windward surface. A boundary layer transition correlation was previously developed for this data set using boundary layer edge conditions calculated using an inviscid/integral boundary layer approach. An algorithm was written in the present study to extract boundary layer edge quantities from higher fidelity viscous computational fluid dynamic solutions to develop transition correlations that account for viscous effects on vehicles of arbitrary complexity. The boundary layer transition correlation developed for the X-33 from the viscous solutions are compared to the previous boundary layer transition correlations. It is shown that the boundary layer edge conditions calculated using an inviscid/integral boundary layer approach are significantly different than those extracted from viscous computational fluid dynamic solutions. The present results demonstrate the differences obtained in correlating transition data using different computational methods.

Transition Experiments on Blunt Bodies with Distributed Roughness in Hypersonic Free Flight in Carbon Dioxide

NASA Technical Reports Server (NTRS)

Wilder, Michael C.; Reda, Daniel C.; Prabhu, Dinesh K.

2015-01-01

Blunt-body geometries were flown through carbon dioxide in the NASA Ames Hypervelocity Free Flight Aerodynamic Facility to investigate the influence of distributed surface roughness on transition to turbulence in CO2-dominated atmospheres, such as those of Mars and Venus. Tests were also performed in air for direct comparison with archival results. Models of hemispherical and spherically-blunted large-angle conical geometries were flown at speeds between 2.8 km/s and 5.1 km/s and freestream pressures between 50 Torr and 228 Torr. Transition fronts were determined from global surface heat flux distributions measured using thermal imaging techniques. Distributed surface roughness was produced by grit-blasting the model surfaces. Real-gas Navier-Stokes solutions were used to calculate non-dimensional correlating parameters at the measured transition onset locations. Transition-onset locations correlated well with a constant roughness Reynolds number based on the mean roughness element height. The critical roughness Reynolds number for transition onset determined for flight in CO2 was 223 +/- 25%. This mean value is lower than the critical value of 250 +/- 20% previously-established from tests conducted in air, but within the bounds of the expected measurement uncertainty.

Stool consistency is strongly associated with gut microbiota richness and composition, enterotypes and bacterial growth rates.

PubMed

Vandeputte, Doris; Falony, Gwen; Vieira-Silva, Sara; Tito, Raul Y; Joossens, Marie; Raes, Jeroen

2016-01-01

The assessment of potentially confounding factors affecting colon microbiota composition is essential to the identification of robust microbiome based disease markers. Here, we investigate the link between gut microbiota variation and stool consistency using Bristol Stool Scale classification, which reflects faecal water content and activity, and is considered a proxy for intestinal colon transit time. Through 16S rDNA Illumina profiling of faecal samples of 53 healthy women, we evaluated associations between microbiome richness, Bacteroidetes:Firmicutes ratio, enterotypes, and genus abundance with self-reported, Bristol Stool Scale-based stool consistency. Each sample's microbiota growth potential was calculated to test whether transit time acts as a selective force on gut bacterial growth rates. Stool consistency strongly correlates with all known major microbiome markers. It is negatively correlated with species richness, positively associated to the Bacteroidetes:Firmicutes ratio, and linked to Akkermansia and Methanobrevibacter abundance. Enterotypes are distinctly distributed over the BSS-scores. Based on the correlations between microbiota growth potential and stool consistency scores within both enterotypes, we hypothesise that accelerated transit contributes to colon ecosystem differentiation. While shorter transit times can be linked to increased abundance of fast growing species in Ruminococcaceae-Bacteroides samples, hinting to a washout avoidance strategy of faster replication, this trend is absent in Prevotella-enterotyped individuals. Within this enterotype adherence to host tissue therefore appears to be a more likely bacterial strategy to cope with washout. The strength of the associations between stool consistency and species richness, enterotypes and community composition emphasises the crucial importance of stool consistency assessment in gut metagenome-wide association studies. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Retarded correlators in kinetic theory: branch cuts, poles and hydrodynamic onset transitions

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

Romatschke, Paul

In this paper, the collective modes of an effective kinetic theory description based on the Boltzmann equation in a relaxation-time approximation applicable to gauge theories at weak but finite coupling and low frequencies are studied. Real time retarded two-point correlators of the energy-momentum tensor and the R-charge current are calculated at finite temperature in flat space-times for large N gauge theories. It is found that the real-time correlators possess logarithmic branch cuts which in the limit of large coupling disappear and give rise to non-hydrodynamic poles that are reminiscent of quasi-normal modes in black holes. In addition to branch cuts,more » correlators can have simple hydrodynamic poles, generalizing the concept of hydrodynamic modes to intermediate wavelength. Surprisingly, the hydrodynamic poles cease to exist for some critical value of the wavelength and coupling reminiscent of the properties of onset transitions.« less

Retarded correlators in kinetic theory: branch cuts, poles and hydrodynamic onset transitions

DOE PAGES

Romatschke, Paul

2016-06-24

In this paper, the collective modes of an effective kinetic theory description based on the Boltzmann equation in a relaxation-time approximation applicable to gauge theories at weak but finite coupling and low frequencies are studied. Real time retarded two-point correlators of the energy-momentum tensor and the R-charge current are calculated at finite temperature in flat space-times for large N gauge theories. It is found that the real-time correlators possess logarithmic branch cuts which in the limit of large coupling disappear and give rise to non-hydrodynamic poles that are reminiscent of quasi-normal modes in black holes. In addition to branch cuts,more » correlators can have simple hydrodynamic poles, generalizing the concept of hydrodynamic modes to intermediate wavelength. Surprisingly, the hydrodynamic poles cease to exist for some critical value of the wavelength and coupling reminiscent of the properties of onset transitions.« less

Correlation between thermal annealing temperature and Joule-heating based insulator-metal transition in VO2 nanobeams

NASA Astrophysics Data System (ADS)

Rathi, Servin; Park, Jin-Hyung; Lee, In-yeal; Jin Kim, Min; Min Baik, Jeong; Kim, Gil-Ho

2013-11-01

Rapid thermal annealing of VO2 nanobeams in an ambient argon environment has been carried out at various temperatures after device fabrication. Our analysis revealed that increasing the annealing temperature from 200 °C to 400 °C results in the reduction of both ohmic and nanobeam resistances with an appreciable decrease in joule-heating based transition voltage and transition temperature, while samples annealed at 500 °C exhibited a conducting rutile-phase like characteristics at room temperature. In addition, these variation trends were explored using a physical model and the results were found to be in agreement with the observed results, thus verifying the model.

Graph reconstruction using covariance-based methods.

PubMed

Sulaimanov, Nurgazy; Koeppl, Heinz

2016-12-01

Methods based on correlation and partial correlation are today employed in the reconstruction of a statistical interaction graph from high-throughput omics data. These dedicated methods work well even for the case when the number of variables exceeds the number of samples. In this study, we investigate how the graphs extracted from covariance and concentration matrix estimates are related by using Neumann series and transitive closure and through discussing concrete small examples. Considering the ideal case where the true graph is available, we also compare correlation and partial correlation methods for large realistic graphs. In particular, we perform the comparisons with optimally selected parameters based on the true underlying graph and with data-driven approaches where the parameters are directly estimated from the data.

On laminar-turbulent transition in nanofluid flows

NASA Astrophysics Data System (ADS)

Rudyak, V. Ya.; Minakov, A. V.; Guzey, D. V.; Zhigarev, V. A.; Pryazhnikov, M. I.

2016-09-01

The paper presents experimental data on the laminar-turbulent transition in the nanofluid flow in the pipe. The transition in the flows of such fluids is shown to have lower Reynolds numbers than in the base fluid. The degree of the flow destabilization increases with an increase in concentration of nanoparticles and a decrease in their size. On the other hand, in the turbulent flow regime, the presence of particles in the flow leads to the suppression of smallscale turbulent fluctuations. The correlation of the measured viscosity coefficient of considered nanofluids is presented.

Role of the Pair Correlation Function in the Dynamical Transition Predicted by Mode Coupling Theory

NASA Astrophysics Data System (ADS)

Nandi, Manoj Kumar; Banerjee, Atreyee; Dasgupta, Chandan; Bhattacharyya, Sarika Maitra

2017-12-01

In a recent study, we have found that for a large number of systems the configurational entropy at the pair level Sc 2, which is primarily determined by the pair correlation function, vanishes at the dynamical transition temperature Tc. Thus, it appears that the information of the transition temperature is embedded in the structure of the liquid. In order to investigate this, we describe the dynamics of the system at the mean field level and, using the concepts of the dynamical density functional theory, show that the dynamical transition temperature depends only on the pair correlation function. Thus, this theory is similar in spirit to the microscopic mode coupling theory (MCT). However, unlike microscopic MCT, which predicts a very high transition temperature, the present theory predicts a transition temperature that is similar to Tc. This implies that the information of the dynamical transition temperature is embedded in the pair correlation function.

Transition Induced by Fence Geometrics on Shuttle Orbiter at Mach 10

NASA Technical Reports Server (NTRS)

Everhart, Joel L.

2010-01-01

Fence-induced transition data simulating a raised gap filler have been acquired on the wing lower surface of a Shuttle Orbiter model in the Langley 31-Inch Mach 10 Tunnel to compare with the Shuttle Boundary Layer Transition Flight and HYTHIRM Experiments, and to provide additional correlation data for the Boundary Layer Transition Tool. In a qualitative assessment, the data exhibit the expected response to all parameter variations; however, it is unclear whether fully effective tripping at the fence was ever realized at any test condition with the present model hardware. A preliminary, qualitative comparison of the ground-based transition measurements with those obtained from the STS-128 HYTHIRM imagery at Mach 15 reveal similar transition-wake response characteristics in terms of the spreading and the path along the vehicle surface.

Study of boundary-layer transition using transonic cone Preston tube data

NASA Technical Reports Server (NTRS)

Reed, T. D.; Abu-Mostafa, A.

1982-01-01

Laminar layer Preston tube data on a sharp nose, ten degree cone obtained in the Ames 11 ft TWT and in flight tests are analyzed. During analyses of the laminar-boundary layer data, errors were discovered in both the wind tunnel and the flight data. A correction procedure for errors in the flight data is recommended which forces the flight data to exhibit some of the orderly characteristics of the wind tunnel data. From corrected wind tunnel data, a correlation is developed between Preston tube pressures and the corresponding values of theoretical laminar skin friction. Because of the uncertainty in correcting the flight data, a correlation for the unmodified data is developed, and, in addition, three other correlations are developed based on different correction procedures. Each of these correlations are used in conjunction with the wind tunnel correlation to define effective freestream unit Reynolds numbers for the 11 ft TWT over a Mach number range of 0.30 to 0.95. The maximum effective Reynolds numbers are approximately 6.5% higher than the normal values. These maximum values occur between freestream Mach numbers of 0.60 and 0.80. Smaller values are found outside this Mach number range. These results indicate wind tunnel noise affects the average laminar skin friction much less than it affects boundary layer transition. Data on the onset, extent, and end of boundary layer transition are summarized. Application of a procedure for studying the relative effects of varying nose radius on a ten degree cone at supercritical speeds indicates that increasing nose radius promotes boundary layer transition and separation of laminar boundary layers.

The Langley Stability and Transition Analysis Code (LASTRAC) : LST, Linear and Nonlinear PSE for 2-D, Axisymmetric, and Infinite Swept Wing Boundary Layers

NASA Technical Reports Server (NTRS)

Chang, Chau-Lyan

2003-01-01

During the past two decades, our understanding of laminar-turbulent transition flow physics has advanced significantly owing to, in a large part, the NASA program support such as the National Aerospace Plane (NASP), High-speed Civil Transport (HSCT), and Advanced Subsonic Technology (AST). Experimental, theoretical, as well as computational efforts on various issues such as receptivity and linear and nonlinear evolution of instability waves take part in broadening our knowledge base for this intricate flow phenomenon. Despite all these advances, transition prediction remains a nontrivial task for engineers due to the lack of a widely available, robust, and efficient prediction tool. The design and development of the LASTRAC code is aimed at providing one such engineering tool that is easy to use and yet capable of dealing with a broad range of transition related issues. LASTRAC was written from scratch based on the state-of-the-art numerical methods for stability analysis and modem software technologies. At low fidelity, it allows users to perform linear stability analysis and N-factor transition correlation for a broad range of flow regimes and configurations by using either the linear stability theory (LST) or linear parabolized stability equations (LPSE) method. At high fidelity, users may use nonlinear PSE to track finite-amplitude disturbances until the skin friction rise. Coupled with the built-in receptivity model that is currently under development, the nonlinear PSE method offers a synergistic approach to predict transition onset for a given disturbance environment based on first principles. This paper describes the governing equations, numerical methods, code development, and case studies for the current release of LASTRAC. Practical applications of LASTRAC are demonstrated for linear stability calculations, N-factor transition correlation, non-linear breakdown simulations, and controls of stationary crossflow instability in supersonic swept wing boundary layers.

Cell Fate Decision as High-Dimensional Critical State Transition

PubMed Central

Zhou, Joseph; Castaño, Ivan G.; Leong-Quong, Rebecca Y. Y.; Chang, Hannah; Trachana, Kalliopi; Giuliani, Alessandro; Huang, Sui

2016-01-01

Cell fate choice and commitment of multipotent progenitor cells to a differentiated lineage requires broad changes of their gene expression profile. But how progenitor cells overcome the stability of their gene expression configuration (attractor) to exit the attractor in one direction remains elusive. Here we show that commitment of blood progenitor cells to the erythroid or myeloid lineage is preceded by the destabilization of their high-dimensional attractor state, such that differentiating cells undergo a critical state transition. Single-cell resolution analysis of gene expression in populations of differentiating cells affords a new quantitative index for predicting critical transitions in a high-dimensional state space based on decrease of correlation between cells and concomitant increase of correlation between genes as cells approach a tipping point. The detection of “rebellious cells” that enter the fate opposite to the one intended corroborates the model of preceding destabilization of a progenitor attractor. Thus, early warning signals associated with critical transitions can be detected in statistical ensembles of high-dimensional systems, offering a formal theory-based approach for analyzing single-cell molecular profiles that goes beyond current computational pattern recognition, does not require knowledge of specific pathways, and could be used to predict impending major shifts in development and disease. PMID:28027308

String-fluid transition in systems with aligned anisotropic interactions.

PubMed

Brandt, P C; Ivlev, A V; Morfill, G E

2010-06-21

Systems with aligned anisotropic interactions between particles exhibit numerous phase transitions. A remarkable example of the fluid phase transition occurring in such systems is the formation of particle strings--the so-called "string" or "chain" fluids. We employ an approach based on the Ornstein-Zernike (OZ) equation, which allows us to calculate structural properties of fluids with aligned anisotropic interactions. We show that the string-fluid transition can be associated with the bifurcation of the "isotropic" correlation length into two distinct scales which characterize the longitudinal and transverse order in string fluids and, hence, may be used as a fingerprint of this transition. The comparison of the proposed OZ theory with the Monte Carlo simulations reveals fairly good agreement.

Large Fermi Surface of Heavy Electrons at the Border of Mott Insulating State in NiS 2

DOE PAGES

Friedemann, S.; Chang, H.; Gamża, M. B.; ...

2016-05-12

One early triumph of quantum physics is the explanation why some materials are metallic whereas others are insulating. While a treatment based on single electron states is correct for most materials this approach can fail spectacularly, when the electrostatic repulsion between electrons causes strong correlations. Not only can these favor new and subtle forms of matter, such as magnetism or superconductivity, they can even cause the electrons in a half-filled energy band to lock into position, producing a correlated, or Mott insulator. The transition into the Mott insulating state raises important fundamental questions. Foremost among these is the fate ofmore » the electronic Fermi surface and the associated charge carrier mass, as the Mott transition is approached. We report the first direct observation of the Fermi surface on the metallic side of a Mott insulating transition by high pressure quantum oscillatory measurements in NiS 2. We find our results point at a large Fermi surface consistent with Luttinger's theorem and a strongly enhanced quasiparticle effective mass. These two findings are in line with central tenets of the Brinkman-Rice picture of the correlated metal near the Mott insulating state and rule out alternative scenarios in which the carrier concentration vanishes continuously at the metal-insulator transition.« less

Evaluation of sliding window correlation performance for characterizing dynamic functional connectivity and brain states

PubMed Central

Shakil, Sadia; Lee, Chin-Hui; Keilholz, Shella Dawn

2016-01-01

A promising recent development in the study of brain function is the dynamic analysis of resting-state functional MRI scans, which can enhance understanding of normal cognition and alterations that result from brain disorders. One widely used method of capturing the dynamics of functional connectivity is sliding window correlation (SWC). However, in the absence of a “gold standard” for comparison, evaluating the performance of the SWC in typical resting-state data is challenging. This study uses simulated networks (SNs) with known transitions to examine the effects of parameters such as window length, window offset, window type, noise, filtering, and sampling rate on the SWC performance. The SWC time course was calculated for all node pairs of each SN and then clustered using the k-means algorithm to determine how resulting brain states match known configurations and transitions in the SNs. The outcomes show that the detection of state transitions and durations in the SWC is most strongly influenced by the window length and offset, followed by noise and filtering parameters. The effect of the image sampling rate was relatively insignificant. Tapered windows provide less sensitivity to state transitions than rectangular windows, which could be the result of the sharp transitions in the SNs. Overall, the SWC gave poor estimates of correlation for each brain state. Clustering based on the SWC time course did not reliably reflect the underlying state transitions unless the window length was comparable to the state duration, highlighting the need for new adaptive window analysis techniques. PMID:26952197

Strong electron correlation in UO{sub 2}{sup −}: A photoelectron spectroscopy and relativistic quantum chemistry study

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

Li, Wei-Li; Jian, Tian; Lopez, Gary V.

2014-03-07

The electronic structures of actinide systems are extremely complicated and pose considerable challenges both experimentally and theoretically because of significant electron correlation and relativistic effects. Here we report an investigation of the electronic structure and chemical bonding of uranium dioxides, UO{sub 2}{sup −} and UO{sub 2}, using photoelectron spectroscopy and relativistic quantum chemistry. The electron affinity of UO{sub 2} is measured to be 1.159(20) eV. Intense detachment bands are observed from the UO{sub 2}{sup −} low-lying (7sσ{sub g}){sup 2}(5fϕ{sub u}){sup 1} orbitals and the more deeply bound O2p-based molecular orbitals which are separated by a large energy gap from themore » U-based orbitals. Surprisingly, numerous weak photodetachment transitions are observed in the gap region due to extensive two-electron transitions, suggesting strong electron correlations among the (7sσ{sub g}){sup 2}(5fϕ{sub u}){sup 1} electrons in UO{sub 2}{sup −} and the (7sσ{sub g}){sup 1}(5fϕ{sub u}){sup 1} electrons in UO{sub 2}. These observations are interpreted using multi-reference ab initio calculations with inclusion of spin-orbit coupling. The strong electron correlations and spin-orbit couplings generate orders-of-magnitude more detachment transitions from UO{sub 2}{sup −} than expected on the basis of the Koopmans’ theorem. The current experimental data on UO{sub 2}{sup −} provide a long-sought opportunity to arbitrating various relativistic quantum chemistry methods aimed at handling systems with strong electron correlations.« less

Variation of transition temperatures and residual resistivity ratio in vapor-grown FeSe

DOE PAGES

Böhmer, A. E.; Taufour, V.; Straszheim, W. E.; ...

2016-07-29

The study of the iron-based superconductor FeSe has blossomed with the availability of high-quality single crystals, obtained through flux/vapor-transport growth techniques below the structural transformation temperature of its tetragonal phase, T≈450°C. Here, we report on the variation of sample morphology and properties due to small modifications in the growth conditions. A considerable variation of the superconducting transition temperature T c, from 8.8 K to 3 K, which cannot be correlated with the sample composition, is observed. Instead, we point out a clear correlation between T c and disorder, as measured by the residual resistivity ratio. Notably, the tetragonal-to-orthorhombic structural transitionmore » is also found to be quite strongly disorder dependent (T s≈72–90K) and linearly correlated with T c.« less

Graphene based d-character Dirac Systems

NASA Astrophysics Data System (ADS)

Li, Yuanchang; Zhang, S. B.; Duan, Wenhui

From graphene to topological insulators, Dirac material continues to be the hot topics in condensed matter physics. So far, almost all of the theoretically predicted or experimentally observed Dirac materials are composed of sp -electrons. By using first-principles calculations, we find the new Dirac system of transition-metal intercalated epitaxial graphene on SiC(0001). Intrinsically different from the conventional sp Dirac system, here the Dirac-fermions are dominantly contributed by the transition-metal d-electrons, which paves the way to incorporate correlation effect with Dirac-cone physics. Many intriguing quantum phenomena are proposed based on this system, including quantum spin Hall effect with large spin-orbital gap, quantum anomalous Hall effect, 100% spin-polarized Dirac fermions and ferromagnet-to-topological insulator transition.

Blunt-Body Entry Vehicle Aerothermodynamics: Transition and Turbulence on the CEV and MSL Configurations

NASA Technical Reports Server (NTRS)

Hollis, Brian R.

2010-01-01

Recent, current, and planned NASA missions that employ blunt-body entry vehicles pose aerothermodynamic problems that challenge the state-of-the art of experimental and computational methods. The issues of boundary-layer transition and turbulent heating on the heat shield have become important in the designs of both the Mars Science Laboratory and Crew Exploration Vehicle. While considerable experience in these general areas exists, that experience is mainly derived from simple geometries; e.g. sharp-cones and flat-plates, or from lifting bodies such as the Space Shuttle Orbiter. For blunt-body vehicles, application of existing data, correlations, and comparisons is questionable because an all, or mostly, subsonic flow field is produced behind the bow shock, as compared to the supersonic (or even hypersonic) flow of other configurations. Because of the need for design and validation data for projects such as MSL and CEV, many new experimental studies have been conducted in the last decade to obtain detailed boundary-layer transition and turbulent heating data on this class of vehicle. In this paper, details of several of the test programs are reviewed. The laminar and turbulent data from these various test are shown to correlate in terms of edge-based Stanton and Reynolds number functions. Correlations are developed from the data for transition onset and turbulent heating augmentation as functions of momentum thickness Reynolds number. These correlation can be employed as engineering-level design and analysis tools.

Langley Stability and Transition Analysis Code (LASTRAC) Version 1.2 User Manual

NASA Technical Reports Server (NTRS)

Chang, Chau-Lyan

2004-01-01

LASTRAC is a general-purposed, physics-based transition prediction code released by NASA for Laminar Flow Control studies and transition research. The design and development of the LASTRAC code is aimed at providing an engineering tool that is easy to use and yet capable of dealing with a broad range of transition related issues. It was written from scratch based on the state-of-the-art numerical methods for stability analysis and modern software technologies. At low fidelity, it allows users to perform linear stability analysis and N-factor transition correlation for a broad range of flow regimes and configurations by using either the linear stability theory or linear parabolized stability equations method. At high fidelity, users may use nonlinear PSE to track finite-amplitude disturbances until the skin friction rise. This document describes the governing equations, numerical methods, code development, detailed description of input/output parameters, and case studies for the current release of LASTRAC.

When human walking becomes random walking: fractal analysis and modeling of gait rhythm fluctuations

NASA Astrophysics Data System (ADS)

Hausdorff, Jeffrey M.; Ashkenazy, Yosef; Peng, Chang-K.; Ivanov, Plamen Ch.; Stanley, H. Eugene; Goldberger, Ary L.

2001-12-01

We present a random walk, fractal analysis of the stride-to-stride fluctuations in the human gait rhythm. The gait of healthy young adults is scale-free with long-range correlations extending over hundreds of strides. This fractal scaling changes characteristically with maturation in children and older adults and becomes almost completely uncorrelated with certain neurologic diseases. Stochastic modeling of the gait rhythm dynamics, based on transitions between different “neural centers”, reproduces distinctive statistical properties of the gait pattern. By tuning one model parameter, the hopping (transition) range, the model can describe alterations in gait dynamics from childhood to adulthood - including a decrease in the correlation and volatility exponents with maturation.

designer phase transitions in lithium-based spinels

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

Wouter Montfrooij

When electrons in a metal become correlated with each other, new cooperative behavior can arise. This correlation is magnified when the metal has magnetic ions embedded in it. These atomic magnets try to line up with each other, but in doing so actually create a correlation between the motions of conduction electrons. In turn, these correlated electron motions prevent the magnetic ions from aligning, even at zero Kelvin. When this competition is strongest (at the so-called quantum critical point-QCP) the response of the system can no longer be described using the text book theory for metals. In addition, a rangemore » of new phenomena has been seen to emerge in the vicinity of a QCP, such as heavy-fermion superconductivity, coexistence of magnetism and superconductivity and hyper-scaling. The main goal of our research is to try to unravel the details of the feedback mechanism between electron motion and magnetism that lies at the heart of this new physics. We have chosen lithium-based spinel structures as the most promising family of systems to achieve our goal. Known lithium-based spinels Li{sub x}M{sub 2}O{sub 4} [M=V, Ti and Mn] show a variety of ground states: heavy-fermion, superconducting, or geometrically frustrated local moment systems. Li{sub x}M{sub 2}O{sub 4} should be ideal systems for studying QCPs since their properties can easily be fine-tuned, simply by extracting some Li [which can be done without introducing disorder in the immediate surroundings of the magnetic ions]. The premise of the proposal was that since this Li-extraction can be done both in the metallic as well as in insulating compounds, that we can expand the types of quantum phase transitions that can be studied to beyond transitions in magnetic metals. The project called for developing a better understanding of quantum phase transitions by measuring all aspects of the electronic response of Li{sub x}M{sub 2}O{sub 4} by means of neutron scattering, giving microscopic information about the behavior of the individual magnetic moments and their interactions, as well as by macroscopic measurements. In addition, the aim was to synthesize new lithium-based spinel compounds by using other transition metals that exhibit both 3{sup +} and 4{sup +} valencies. Here we report on the progress we have made during the course of this grant both towards the stated goals and on new avenues that developed as a direct result of the data we collected during this grant.« less

High-sensitivity optical sensing of axial strain based on microfiber with microarched transition region

NASA Astrophysics Data System (ADS)

Xia, Liang; Xing, Zengshan; Yu, Jianhui; Lu, Huihui; Guan, Heyuan; Zhong, Yongchun; Chen, Zhe

2017-11-01

We demonstrated strain sensing of a microfiber with a microarched transition region, which was fabricated by flame heated tapering. Due to multimode interference of different propagation modes of microfiber, two main transmission dips were observed at 1215.0 and 1469.8 nm. Enhanced by the microarched transition region, the depth of the dip was up to 19 dB at 1215.0 nm. The position of the dip red-shifted while the axial strain changed from 0 to 1166.2 μɛ. The axial strain sensitivity was up to 56.6 pm/μɛ, which was one order of magnitude higher than that of the traditional optical strain sensor based on microfiber or fiber Bragg grating. The linear correlation coefficient was 98.21%. This kind of microfiber with a microarched transition region can be widely used in various physical, chemical, and biological sensing and detection fields.

Glass transition of anhydrous starch by fast scanning calorimetry.

PubMed

Monnier, Xavier; Maigret, Jean-Eudes; Lourdin, Denis; Saiter, Allisson

2017-10-01

By means of fast scanning calorimetry, the glass transition of anhydrous amorphous starch has been measured. With a scanning rate of 2000Ks -1 , thermal degradation of starch prior to the glass transition has been inhibited. To certify the glass transition measurement, structural relaxation of the glassy state has been investigated through physical aging as well as the concept of limiting fictive temperature. In both cases, characteristic enthalpy recovery peaks related to the structural relaxation of the glass have been observed. Thermal lag corrections based on the comparison of glass transition temperatures measured by means of differential and fast scanning calorimetry have been proposed. The complementary investigations give an anhydrous amorphous starch glass transition temperature of 312±7°C. This estimation correlates with previous extrapolation performed on hydrated starches. Copyright © 2017 Elsevier Ltd. All rights reserved.

Role of the Pair Correlation Function in the Dynamical Transition Predicted by Mode Coupling Theory.

PubMed

Nandi, Manoj Kumar; Banerjee, Atreyee; Dasgupta, Chandan; Bhattacharyya, Sarika Maitra

2017-12-29

In a recent study, we have found that for a large number of systems the configurational entropy at the pair level S_{c2}, which is primarily determined by the pair correlation function, vanishes at the dynamical transition temperature T_{c}. Thus, it appears that the information of the transition temperature is embedded in the structure of the liquid. In order to investigate this, we describe the dynamics of the system at the mean field level and, using the concepts of the dynamical density functional theory, show that the dynamical transition temperature depends only on the pair correlation function. Thus, this theory is similar in spirit to the microscopic mode coupling theory (MCT). However, unlike microscopic MCT, which predicts a very high transition temperature, the present theory predicts a transition temperature that is similar to T_{c}. This implies that the information of the dynamical transition temperature is embedded in the pair correlation function.

A molecular symmetry analysis of the electronic states and transition dipole moments for molecules with two torsional degrees of freedom

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

Obaid, R.; Applied Chemistry Department, Palestine Polytechnic University, Hebron, Palestine; Leibscher, M., E-mail: monika.leibscher@itp.uni-hannover.de

2015-02-14

We present a molecular symmetry analysis of electronic states and transition dipole moments for molecules which undergo large amplitude intramolecular torsions. The method is based on the correlation between the point group of the molecule at highly symmetric configurations and the molecular symmetry group. As an example, we determine the global irreducible representations of the electronic states and transition dipole moments for the quinodimethane derivative 2-[4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2H-1, 3-dioxole for which two torsional degrees of freedom can be activated upon photo-excitation and construct the resulting symmetry adapted transition dipole functions.

Ab Initio Simulations of Temperature Dependent Phase Stability and Martensitic Transitions in NiTi

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Thompson, Alexander E.; Lawson, John W.

2016-01-01

For NiTi based alloys, the shape memory effect is governed by a transition from a low-temperature martensite phase to a high-temperature austenite phase. Despite considerable experimental and computational work, basic questions regarding the stability of the phases and the martensitic phase transition remain unclear even for the simple case of binary, equiatomic NiTi. We perform ab initio molecular dynamics simulations to describe the temperature-dependent behavior of NiTi and resolve several of these outstanding issues. Structural correlation functions and finite temperature phonon spectra are evaluated to determine phase stability. In particular, we show that finite temperature, entropic effects stabilize the experimentally observed martensite (B19') and austenite (B2) phases while destabilizing the theoretically predicted (B33) phase. Free energy computations based on ab initio thermodynamic integration confirm these results and permit estimates of the transition temperature between the phases. In addition to the martensitic phase transition, we predict a new transition between the B33 and B19' phases. The role of defects in suppressing these phase transformations is discussed.

Transition Analysis for the Mars Science Laboratory Entry Vehicle

NASA Technical Reports Server (NTRS)

Chang, Chau-Lyan; Choudhari, Meelan M.; Hollis, Brian R.; Li, Fei

2009-01-01

Viscous Laminar-turbulent transition plays an important role in the design of the Mars Science Laboratory (MSL) entry vehicle. The lift-to-drag ratio required for the precision landing trajectory will be achieved via an angle of attack equal to 16 degrees. At this relatively high angle of attack, the boundary layer flow near the leeward meridian is expected to transition early in the trajectory, resulting in substantially increased heating loads. This paper presents stability calculations and transition correlations for a series of wind tunnel models of the MSL vehicle. Experimentally measured transition onset locations are used to correlate with the N-factor calculations for various wind tunnel conditions. Due to relatively low post-shock Mach numbers near the edge of the boundary layer, the dominant instability waves are found to be of the first mode type. The N-factor values correlating with measured transition onset at selected test points from the Mach 6 conventional facility experiments fall between 3.5 and 4.5 and apparently vary linearly with the wind tunnel unit Reynolds number, indicating strong receptivity effect. The small transition N value is consistent with previous correlations for second-mode dominant transition in the same wind tunnel facility. Stability calculations for stationary and traveling crossflow instability waves in selected configurations indicate that an N value of 4 and 6, respectively, correlates reasonably well with transition onset discerned from one experimentally measured thermographic image.

Measurement of a solid-state triple point at the metal-insulator transition in VO2.

PubMed

Park, Jae Hyung; Coy, Jim M; Kasirga, T Serkan; Huang, Chunming; Fei, Zaiyao; Hunter, Scott; Cobden, David H

2013-08-22

First-order phase transitions in solids are notoriously challenging to study. The combination of change in unit cell shape, long range of elastic distortion and flow of latent heat leads to large energy barriers resulting in domain structure, hysteresis and cracking. The situation is worse near a triple point, where more than two phases are involved. The well-known metal-insulator transition in vanadium dioxide, a popular candidate for ultrafast optical and electrical switching applications, is a case in point. Even though VO2 is one of the simplest strongly correlated materials, experimental difficulties posed by the first-order nature of the metal-insulator transition as well as the involvement of at least two competing insulating phases have led to persistent controversy about its nature. Here we show that studying single-crystal VO2 nanobeams in a purpose-built nanomechanical strain apparatus allows investigation of this prototypical phase transition with unprecedented control and precision. Our results include the striking finding that the triple point of the metallic phase and two insulating phases is at the transition temperature, Ttr = Tc, which we determine to be 65.0 ± 0.1 °C. The findings have profound implications for the mechanism of the metal-insulator transition in VO2, but they also demonstrate the importance of this approach for mastering phase transitions in many other strongly correlated materials, such as manganites and iron-based superconductors.

USArray Receiver Function Imaging of Multiple-Layer Crustal Structure of the Contiguous United States

NASA Astrophysics Data System (ADS)

Ma, X.; Lowry, A. R.; Ravat, D.

2014-12-01

Thickness andseismic velocity of crustal layers are useful for understanding the history and evolution of continental lithosphere. Lowry and Pérez-Gussinyé (2011) observed that low bulk crustal seismic velocity ratio, Vp/Vs, strongly correlates with high geothermal gradient and active deformation, indicating quartz (to which Vp/Vs is most sensitive) plays a role in these processes. The lower crust (where ductile flow occurs which might explain the relationship) is commonly thought to be quartz-poor. However, layering of the crust may represent changes in either lithology or the phase of quartz. Laboratory strain-stress experiments on quartz indicate that near the a- to b-quartz phase transition, both Vp and Vp/Vs initially drop dramatically but then increase relative to the a-quartz regime because Young's modulus initially decreases by 30% before increasing by a net ~20%. Shear modulus varies only ~3% across the transition. Crustal structure is commonly represented by an upper, mid- and lower layer (e.g., Crust1.0) and conceptualized as primarily reflecting a change to more mafic lithology at greater depth, but estimates of Moho temperature indicate a quartz phase transition should be present in much of the western and central U.S. We have imaged multiple layering of the contiguous U.S. by applying a new cross-correlation and stacking method to USArray receiver functions. Synthetic models of a multiple layer crust indicate 'splitting' of converted-phase arrivals would be expected if a quartz phase transition were responsible. Preliminary imaging using cross-correlation of observed receiver functions with multiple layer synthetics demonstrates a marked improvement in correlation coefficients relative to a single-layer crust. In this presentation we will examine observational evidence for possible a- to b- phase transition layering (indicating quartz at depth) and compare with depths predicted for the quartz phase transition based on Pn-derived Moho temperatures and estimates of magnetic Curie depths.

Demarcation of continental-oceanic transition zone using angular differences between gradients of geophysical fields

NASA Astrophysics Data System (ADS)

Jilinski, Pavel; Meju, Max A.; Fontes, Sergio L.

2013-10-01

The commonest technique for determination of the continental-oceanic crustal boundary or transition (COB) zone is based on locating and visually correlating bathymetric and potential field anomalies and constructing crustal models constrained by seismic data. In this paper, we present a simple method for spatial correlation of bathymetric and potential field geophysical anomalies. Angular differences between gradient directions are used to determine different types of correlation between gravity and bathymetric or magnetic data. It is found that the relationship between bathymetry and gravity anomalies can be correctly identified using this method. It is demonstrated, by comparison with previously published models for the southwest African margin, that this method enables the demarcation of the zone of transition from oceanic to continental crust assuming that this it is associated with geophysical anomalies, which can be correlated using gradient directions rather than magnitudes. We also applied this method, supported by 2-D gravity modelling, to the more complex Liberia and Cote d'Ivoire-Ghana sectors of the West African transform margin and obtained results that are in remarkable agreement with past predictions of the COB in that region. We suggest the use of this method for a first-pass interpretation as a prelude to rigorous modelling of the COB in frontier areas.

Injuries observed in a prospective transition from traditional to minimalist footwear: correlation of high impact transient forces and lower injury severity.

PubMed

Salzler, Matthew J; Kirwan, Hollie J; Scarborough, Donna M; Walker, James T; Guarino, Anthony J; Berkson, Eric M

2016-11-01

Minimalist running is increasing in popularity based upon a concept that it can reduce impact forces and decrease injury rates. The purpose of this investigation is to identify the rate and severity of injuries in runners transitioning from traditional to minimalist footwear. The secondary aims were to identify factors correlated with injuries. Fourteen habitually shod (traditional running shoes) participants were enrolled for this prospective study investigating injury prevalence during transition from traditional running shoes to 5-toed minimalist shoes. Participants were uninjured, aged between 22-41 years, and ran at least twenty kilometers per week in traditional running shoes. Participants were given industry recommended guidelines for transition to minimalist footwear and fit with a 5-toed minimalist running shoe. They completed weekly logs for identification of injury, pain using Visual Analogue Scale (VAS), injury location, and severity. Foot strike pattern and impact forces were collected using 3D motion analysis at baseline, 4 weeks, and 12 weeks. Injuries were scored according to a modified Running Injury Severity Score (RISS). Fourteen runners completed weekly training and injury logs over an average of 30 weeks. Twelve of 14 (86%) runners sustained injuries. Average injury onset was 6 weeks (range 1-27 weeks). Average weekly mileage of 23.9 miles/week prior to transition declined to 18.3 miles/week after the transition. The magnitude of the baseline impact transient peak in traditional shoes and in minimalist shoes negatively correlated with RISS scores (r = -0.45, p = 0.055 and r = -0.53, p = 0.026, respectively). High injury rates occurred during the transition from traditional to minimalist footwear. Non-compliance to transition guidelines and high injury rates suggest the need for improved education. High impact transient forces unexpectedly predicted lower modified RISS scores in this population.

Income and Support during Transition from a Military to Civilian Career

ERIC Educational Resources Information Center

Robertson, Heather C.

2013-01-01

This study examined experienced military members (N = 136, average age 51 years) transitioning to a 2nd occupation, specifically K-12 teaching, and revealed correlations between the length of their transition to both perceived support and income. Perceived support from family and friends had a small, positive correlation with transition time (r =…

Correlation between Colon Transit Time Test Value and Initial Maintenance Dose of Laxative in Children with Chronic Functional Constipation.

PubMed

Kim, Mock Ryeon; Park, Hye Won; Son, Jae Sung; Lee, Ran; Bae, Sun Hwan

2016-09-01

To evaluate the correlation between colon transit time (CTT) test value and initial maintenance dose of polyethylene glycol (PEG) 4000 or lactulose. Of 415 children with chronic functional constipation, 190 were enrolled based on exclusion criteria using the CTT test, defecation diary, and clinical chart. The CTT test was performed with prior disimpaction. The laxative dose for maintenance was determined on the basis of the defecation diary and clinical chart. The Shapiro-Wilk test and Pearson's and Spearman's correlations were used for statistical analysis. The overall group median value and interquartile range of the CTT test was 43.8 (31.8) hours. The average PEG 4000 dose for maintenance in the overall group was 0.68±0.18 g/kg/d; according to age, the dose was 0.73±0.16 g/kg/d (<8 years), 0.53±0.12 g/kg/d (8 to <12 years), and 0.36±0.05 g/kg/d (12 to 15 years). The dose of lactulose was 1.99±0.43 mL/kg/d (<8 years) or 1.26±0.25 mL/kg/d (8 to <12 years). There was no significant correlation between CTT test value and initial dose of laxative, irrespective of the subgroup (encopresis, abnormal CTT test subtype) for either laxative. Even in the largest group (overall, n=109, younger than 8 years and on PEG 4000), the correlation was weak (Pearson's correlation coefficient [R]=0.268, p =0.005). Within the abnormal transit group, subgroup (n=73, younger than 8 years and on PEG 4000) correlation was weak (R=0.267, p =0.022). CTT test value cannot predict the initial maintenance dose of PEG 4000 or lactulose with linear correlation.

Study of boundary-layer transition using transonic-cone preston tube data

NASA Technical Reports Server (NTRS)

Reed, T. D.; Moretti, P. M.

1980-01-01

The laminar boundary layer on a 10 degree cone in a transonic wind tunnel was studied. The inviscid flow and boundary layer development were simulated by computer programs. The effects of pitch and yaw angles on the boundary layer were examined. Preston-tube data, taken on the boundary-layer-transition cone in the NASA Ames 11 ft transonic wind tunnel, were used to develope a correlation which relates the measurements to theoretical values of laminar skin friction. The recommended correlation is based on a compressible form of the classical law-of-the-wall. The computer codes successfully simulates the laminar boundary layer for near-zero pitch and yaw angles. However, in cases of significant pitch and/or yaw angles, the flow is three dimensional and the boundary layer computer code used here cannot provide a satisfactory model. The skin-friction correlation is thought to be valid for body geometries other than cones.

Accurate wavelengths for X-ray spectroscopy and the NIST hydrogen-like ion database

NASA Astrophysics Data System (ADS)

Kotochigova, S. A.; Kirby, K. P.; Brickhouse, N. S.; Mohr, P. J.; Tupitsyn, I. I.

2005-06-01

We have developed an ab initio multi-configuration Dirac-Fock-Sturm method for the precise calculation of X-ray emission spectra, including energies, transition wavelengths and transition probabilities. The calculations are based on non-orthogonal basis sets, generated by solving the Dirac-Fock and Dirac-Fock-Sturm equations. Inclusion of Sturm functions into the basis set provides an efficient description of correlation effects in highly charged ions and fast convergence of the configuration interaction procedure. A second part of our study is devoted to developing a theoretical procedure and creating an interactive database to generate energies and transition frequencies for hydrogen-like ions. This procedure is highly accurate and based on current knowledge of the relevant theory, which includes relativistic, quantum electrodynamic, recoil, and nuclear size effects.

Overview of Boundary Layer Transition Research in Support of Orbiter Return To Flight

NASA Technical Reports Server (NTRS)

Berry, Scott A.; Horvath, Thomas J.; Greene, Francis A.; Kinder, Gerald R.; Wang, K. C.

2006-01-01

A predictive tool for estimating the onset of boundary layer transition resulting from damage to and/or repair of the thermal protection system was developed in support of Shuttle Return to Flight. The boundary layer transition tool is part of a suite of tools that analyze the aerothermodynamic environment to the local thermal protection system to allow informed disposition of damage for making recommendations to fly as is or to repair. Using mission specific trajectory information and details of each damage site or repair, the expected time (and thus Mach number) at transition onset is predicted to help define the aerothermodynamic environment to use in the subsequent thermal and stress analysis of the local thermal protection system and structure. The boundary layer transition criteria utilized for the tool was developed from ground-based measurements to account for the effect of both protuberances and cavities and has been calibrated against select flight data. Computed local boundary layer edge conditions were used to correlate the results, specifically the momentum thickness Reynolds number over the edge Mach number and the boundary layer thickness. For the initial Return to Flight mission, STS-114, empirical curve coefficients of 27, 100, and 900 were selected to predict transition onset for protuberances based on height, and cavities based on depth and length, respectively.

Correlations between the resonant frequency shifts and the thermodynamic quantities for the α-β transition in quartz

NASA Astrophysics Data System (ADS)

Lider, M. C.; Yurtseven, H.

2018-05-01

The resonant frequency shifts are related to the thermodynamic quantities (compressibility, order parameter and susceptibility) for the α-β transition in quartz. The experimental data for the resonant frequencies and the bulk modulus from the literature are used for those correlations. By calculating the order parameter from the mean field theory, correlation between the resonant frequencies of various modes and the order parameter is examined according to the quasi-harmonic phonon theory for the α-β transition in quartz. Also, correlation between the bulk modulus in relation to the resonant frequency shifts and the order parameter susceptibility is constructed for the α-β transition in this crystalline system.

Flight and wind-tunnel correlation of boundary-layer transition on the AEDC transition cone

NASA Technical Reports Server (NTRS)

Fisher, D. L.; Dougherty, N. S., Jr.

1982-01-01

Transition and fluctuating surface pressure data were acquired on a 10 deg included angle cone, using the same instrumentation and technique over a wide range of Mach and Reynolds numbers in 23 wind tunnels and in flight. Transition was detected with a traversing pitot-pressure probe in contact with the surface. The surface pressure fluctuations were measured with microphones set flush in the cone surface. Good correlation of end of transition Reynolds number RE(T) was obtained between data from the lower disturbance wind tunnels and flight up to a boundary layer edge Mach number, M(e) = 1.2. Above M(e) = 1.2, however, this correlation deteriorates, with the flight Re(T) being 25 to 30% higher than the wind tunnel Re(T) at M(e) = 1.6. The end of transition Reynolds number correlated within + or - 20% with the surface pressure fluctuations, according to the equation used. Broad peaks in the power spectral density distributions indicated that Tollmien-Schlichting waves were the probable cause of transition in flight and in some of the wind tunnels.

Modeling the Collisional-Plastic Stress Transition for Bin Discharge of Granular Material

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

Pannala, Sreekanth; Daw, C Stuart; FINNEY, Charles E A

2009-01-01

We propose a heuristic model for the transition between collisional and frictional/plastic stresses in the flow of granular material. Our approach is based on a physically motivated, nonlinear blending function that produces a weighted average of the limiting stresses, depending on the local void fraction in the flow field. Previously published stress models are utilized to describe the behavior in the collisional (Lun et al., 1984) and quasi-static limits (Schaeffer, 1987 and Syamlal et al., 1993). Sigmoidal and hyperbolic tangent functions are used to mimic the observed smooth yet rapid transition between the collisional and plastic stress zones. We implementmore » our stress transition model in an opensource multiphase flow solver, MFIX (Multiphase Flow with Interphase eXchanges, www.mfix.org) and demonstrate its application to a standard bin discharge problem. The model s effectiveness is illustrated by comparing computational predictions to the experimentally derived Beverloo correlation. With the correct choice of function parameters, the model predicts bin discharge rates within the error margins of the Beverloo correlation and is more accurate than one of the alternative granular stress models proposed in the literature. Although a second granular stress model in the literature is also reasonably consistent with the Beverloo correlation, we propose that our alternative blending function is likely to be more adaptable to situations with more complex solids properties (e.g., sticky solids).« less

Magnetic Fluctuations, Precursor Phenomena, and Phase Transition in MnSi under a Magnetic Field

NASA Astrophysics Data System (ADS)

Pappas, C.; Bannenberg, L. J.; Lelièvre-Berna, E.; Qian, F.; Dewhurst, C. D.; Dalgliesh, R. M.; Schlagel, D. L.; Lograsso, T. A.; Falus, P.

2017-07-01

The reference chiral helimagnet MnSi is the first system where Skyrmion lattice correlations have been reported. At a zero magnetic field the transition at TC to the helimagnetic state is of first order. Above TC, in a region dominated by precursor phenomena, neutron scattering shows the buildup of strong chiral fluctuating correlations over the surface of a sphere with radius 2 π /ℓ, where ℓ is the pitch of the helix. It has been suggested that these fluctuating correlations drive the helical transition to first order following a scenario proposed by Brazovskii for liquid crystals. We present a comprehensive neutron scattering study under magnetic fields, which provides evidence that this is not the case. The sharp first order transition persists for magnetic fields up to 0.4 T whereas the fluctuating correlations weaken and start to concentrate along the field direction already above 0.2 T. Our results thus disconnect the first order nature of the transition from the precursor fluctuating correlations. They also show no indication for a tricritical point, where the first order transition crosses over to second order with increasing magnetic field. In this light, the nature of the first order helical transition and the precursor phenomena above TC, both of general relevance to chiral magnetism, remain an open question.

Global quantum discord and quantum phase transition in XY model

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

Liu, Si-Yuan; Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190; Zhang, Yu-Ran, E-mail: yrzhang@iphy.ac.cn

We study the relationship between the behavior of global quantum correlations and quantum phase transitions in XY model. We find that the two kinds of phase transitions in the studied model can be characterized by the features of global quantum discord (GQD) and the corresponding quantum correlations. We demonstrate that the maximum of the sum of all the nearest neighbor bipartite GQDs is effective and accurate for signaling the Ising quantum phase transition, in contrast, the sudden change of GQD is very suitable for characterizing another phase transition in the XY model. This may shed lights on the study ofmore » properties of quantum correlations in different quantum phases.« less

Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements

PubMed Central

2015-01-01

We present an implementation of single residues for response functions to arbitrary order using a recursive approach. Explicit expressions in terms of density-matrix-based response theory for the single residues of the linear, quadratic, cubic, and quartic response functions are also presented. These residues correspond to one-, two-, three- and four-photon transition matrix elements. The newly developed code is used to calculate the one-, two-, three- and four-photon absorption cross sections of para-nitroaniline and para-nitroaminostilbene, making this the first treatment of four-photon absorption in the framework of response theory. We find that the calculated multiphoton absorption cross sections are not very sensitive to the size of the basis set as long as a reasonably large basis set with diffuse functions is used. The choice of exchange–correlation functional, however, significantly affects the calculated cross sections of both charge-transfer transitions and other transitions, in particular, for the larger para-nitroaminostilbene molecule. We therefore recommend the use of a range-separated exchange–correlation functional in combination with the augmented correlation-consistent double-ζ basis set aug-cc-pVDZ for the calculation of multiphoton absorption properties. PMID:25821415

Accurate estimations of electromagnetic transitions of Sn IV for stellar and interstellar media

NASA Astrophysics Data System (ADS)

Biswas, Swapan; Das, Arghya; Bhowmik, Anal; Majumder, Sonjoy

2018-04-01

Here we report on accurate ab initio calculations to study astrophysically important electromagnetic transition parameters among different low-lying states of Sn IV. Our ab initio calculations are based on the sophisticated relativistic coupled-cluster theory, which almost exhausts many important electron correlations. To establish the accuracy of the calculations, we compare our results with the available experiments and estimates the transition amplitudes in length and velocity gauged forms. Most of these allowed and forbidden transition wavelengths lie in the infrared region, and they can be observed in the different cool stellar and interstellar media. For the improvement of uncertainty, we use experimental energies to the estimations of the above transition parameters. The presented data will be helpful to find the abundances of the ion in different astrophysical and laboratory plasma.

Study of anyon condensation and topological phase transitions from a Z4 topological phase using the projected entangled pair states approach

NASA Astrophysics Data System (ADS)

Iqbal, Mohsin; Duivenvoorden, Kasper; Schuch, Norbert

2018-05-01

We use projected entangled pair states (PEPS) to study topological quantum phase transitions. The local description of topological order in the PEPS formalism allows us to set up order parameters which measure condensation and deconfinement of anyons and serve as substitutes for conventional order parameters. We apply these order parameters, together with anyon-anyon correlation functions and some further probes, to characterize topological phases and phase transitions within a family of models based on a Z4 symmetry, which contains Z4 quantum double, toric code, double semion, and trivial phases. We find a diverse phase diagram which exhibits a variety of different phase transitions of both first and second order which we comprehensively characterize, including direct transitions between the toric code and the double semion phase.

Accurate estimations of electromagnetic transitions of Sn IV for stellar and interstellar media

NASA Astrophysics Data System (ADS)

Biswas, Swapan; Das, Arghya; Bhowmik, Anal; Majumder, Sonjoy

2018-07-01

Here, we report on accurate ab initio calculations to study astrophysically important electromagnetic transition parameters among different low-lying states of Sn IV. Our ab initio calculations are based on the sophisticated relativistic coupled cluster theory, which almost exhausts many important electron correlations. To establish the accuracy of the calculations, we compare our results with the available experiments and estimate the transition amplitudes in length and velocity gauged forms. Most of these allowed and forbidden transition wavelengths lie in the infrared region, and they can be observed in the different cool stellar and interstellar media. For the improvement of uncertainty, we use experimental energies to the estimations of the above transition parameters. The presented data will be helpful to find the abundances of the ion in different astrophysical and laboratory plasma.

Understanding Atmospheric Anomalies Associated with Seasonal Pluvial-Drought Processes Using Southwest China as an Example

NASA Astrophysics Data System (ADS)

Liu, Z.; LU, G.; He, H.; Wu, Z.; He, J.

2017-12-01

Seasonal pluvial-drought transition processes are unique natural phenomena. To explore possible mechanisms, we considered Southwest China (SWC) as the study region and comprehensively investigated the temporal evolution of large-scale and regional atmospheric variables with the simple method of Standardized Anomalies (SA). Some key results include: (1) The net vertical integral of water vapour flux (VIWVF) across the four boundaries may be a feasible indicator of pluvial-drought transition processes over SWC, because its SA-based index is almost consistent with process development. (2) The vertical SA-based patterns of regional horizontal divergence (D) and vertical motion (ω) also coincides with the pluvial-drought transition processes well, and the SA-based index of regional D show relatively high correlation with the identified processes over SWC. (3) With respect to large-scale anomalies of circulation patterns, a well-organized Eurasian Pattern is one important feature during the pluvial-drought transition over SWC. (4) To explore the possibility of simulating drought development using previous pluvial anomalies, large-scale and regional atmospheric SA-based indices were used. As a whole, when SA-based indices of regional dynamic and water-vapor variables are introduced, simulated drought development only with large-scale anomalies can be improved a lot. (5) Eventually, pluvial-drought transition processes and associated regional atmospheric anomalies over nine Chinese drought study regions were investigated. With respect to regional D, vertically single or double "upper-positive-lower-negative" and "upper-negative-lower-positive" patterns are the most common vertical SA-based patterns during the pluvial and drought parts of transition processes, respectively.

Tracking the insulator-to-metal phase transition in VO 2 with few-femtosecond extreme UV transient absorption spectroscopy

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

Jager, Marieke F.; Ott, Christian; Kraus, Peter M.

We present coulomb correlations can manifest in exotic properties in solids, but how these properties can be accessed and ultimately manipulated in real time is not well understood. The insulator-to-metal phase transition in vanadium dioxide (VO 2) is a canonical example of such correlations. Here, few-femtosecond extreme UV transient absorption spectroscopy (FXTAS) at the vanadium M 2,3 edge is used to track the insulator-to-metal phase transition in VO 2 . This technique allows observation of the bulk material in real time, follows the photoexcitation process in both the insulating and metallic phases, probes the subsequent relaxation in the metallic phase,more » and measures the phase-transition dynamics in the insulating phase. An understanding of the VO 2 absorption spectrum in the extreme UV is developed using atomic cluster model calculations, revealing V 3+/d 2 character of the vanadium center. We find that the insulator-to-metal phase transition occurs on a timescale of 26 ± 6 fs and leaves the system in a long-lived excited state of the metallic phase, driven by a change in orbital occupation. Potential interpretations based on electronic screening effects and lattice dynamics are discussed. A Mott–Hubbard-type mechanism is favored, as the observed timescales and d 2 nature of the vanadium metal centers are inconsistent with a Peierls driving force. In conclusion, the findings provide a combined experimental and theoretical roadmap for using time-resolved extreme UV spectroscopy to investigate nonequilibrium dynamics in strongly correlated materials.« less

Tracking the insulator-to-metal phase transition in VO2 with few-femtosecond extreme UV transient absorption spectroscopy

PubMed Central

Jager, Marieke F.; Ott, Christian; Kraus, Peter M.; Kaplan, Christopher J.; Pouse, Winston; Marvel, Robert E.; Haglund, Richard F.; Neumark, Daniel M.; Leone, Stephen R.

2017-01-01

Coulomb correlations can manifest in exotic properties in solids, but how these properties can be accessed and ultimately manipulated in real time is not well understood. The insulator-to-metal phase transition in vanadium dioxide (VO2) is a canonical example of such correlations. Here, few-femtosecond extreme UV transient absorption spectroscopy (FXTAS) at the vanadium M2,3 edge is used to track the insulator-to-metal phase transition in VO2. This technique allows observation of the bulk material in real time, follows the photoexcitation process in both the insulating and metallic phases, probes the subsequent relaxation in the metallic phase, and measures the phase-transition dynamics in the insulating phase. An understanding of the VO2 absorption spectrum in the extreme UV is developed using atomic cluster model calculations, revealing V3+/d2 character of the vanadium center. We find that the insulator-to-metal phase transition occurs on a timescale of 26 ± 6 fs and leaves the system in a long-lived excited state of the metallic phase, driven by a change in orbital occupation. Potential interpretations based on electronic screening effects and lattice dynamics are discussed. A Mott–Hubbard-type mechanism is favored, as the observed timescales and d2 nature of the vanadium metal centers are inconsistent with a Peierls driving force. The findings provide a combined experimental and theoretical roadmap for using time-resolved extreme UV spectroscopy to investigate nonequilibrium dynamics in strongly correlated materials. PMID:28827356

Tracking the insulator-to-metal phase transition in VO 2 with few-femtosecond extreme UV transient absorption spectroscopy

DOE PAGES

Jager, Marieke F.; Ott, Christian; Kraus, Peter M.; ...

2017-08-21

We present coulomb correlations can manifest in exotic properties in solids, but how these properties can be accessed and ultimately manipulated in real time is not well understood. The insulator-to-metal phase transition in vanadium dioxide (VO 2) is a canonical example of such correlations. Here, few-femtosecond extreme UV transient absorption spectroscopy (FXTAS) at the vanadium M 2,3 edge is used to track the insulator-to-metal phase transition in VO 2 . This technique allows observation of the bulk material in real time, follows the photoexcitation process in both the insulating and metallic phases, probes the subsequent relaxation in the metallic phase,more » and measures the phase-transition dynamics in the insulating phase. An understanding of the VO 2 absorption spectrum in the extreme UV is developed using atomic cluster model calculations, revealing V 3+/d 2 character of the vanadium center. We find that the insulator-to-metal phase transition occurs on a timescale of 26 ± 6 fs and leaves the system in a long-lived excited state of the metallic phase, driven by a change in orbital occupation. Potential interpretations based on electronic screening effects and lattice dynamics are discussed. A Mott–Hubbard-type mechanism is favored, as the observed timescales and d 2 nature of the vanadium metal centers are inconsistent with a Peierls driving force. In conclusion, the findings provide a combined experimental and theoretical roadmap for using time-resolved extreme UV spectroscopy to investigate nonequilibrium dynamics in strongly correlated materials.« less

DNS study on bursting and intermittency in late boundary layer transition

NASA Astrophysics Data System (ADS)

Wang, YiQian; Liu, ChaoQun

2017-11-01

Experimental and numerical investigations have suggested the existence of a strong correlation between the passage of coherent structures and events of bursting and intermittency. However, a detailed cause-and-effect study on the subject is rarely found in the literature due to the complexity and the nonlinear multiscale nature of turbulent flows. The primary goal of this research is to explore the motion and evolution of coherent structures during late transition, whose structure is much more ordered than that of fully developed turbulence, and their relationship with events of bursting and intermittency based on a verified high-order direct numerical simulation (DNS). The computation was carried out on a flat plate at Reynolds number 1000 (based on the inflow displacement thickness) with an inflow Mach number 0.5. It is concluded that bursting and intermittency detected by stationary sensors in a transitional boundary layer actually result from the passage and development of vortical structures, and it would be more rational to design transitional turbulence models based on modelling the moving vortical structures rather than the statistical features and experimental experiences.

Laser transit anemometer measurements of a JANNAF nozzle base velocity flow field

NASA Technical Reports Server (NTRS)

Hunter, William W., Jr.; Russ, C. E., Jr.; Clemmons, J. I., Jr.

1990-01-01

Velocity flow fields of a nozzle jet exhausting into a supersonic flow were surveyed. The measurements were obtained with a laser transit anemometer (LTA) system in the time domain with a correlation instrument. The LTA data is transformed into the velocity domain to remove the error that occurs when the data is analyzed in the time domain. The final data is shown in velocity vector plots for positions upstream, downstream, and in the exhaust plane of the jet nozzle.

Oxide Thermoelectric Materials: A Structure-Property Relationship

NASA Astrophysics Data System (ADS)

Nag, Abanti; Shubha, V.

2014-04-01

Recent demand for thermoelectric materials for power harvesting from automobile and industrial waste heat requires oxide materials because of their potential advantages over intermetallic alloys in terms of chemical and thermal stability at high temperatures. Achievement of thermoelectric figure of merit equivalent to unity ( ZT ≈ 1) for transition-metal oxides necessitates a second look at the fundamental theory on the basis of the structure-property relationship giving rise to electron correlation accompanied by spin fluctuation. Promising transition-metal oxides based on wide-bandgap semiconductors, perovskite and layered oxides have been studied as potential candidate n- and p-type materials. This paper reviews the correlation between the crystal structure and thermoelectric properties of transition-metal oxides. The crystal-site-dependent electronic configuration and spin degeneracy to control the thermopower and electron-phonon interaction leading to polaron hopping to control electrical conductivity is discussed. Crystal structure tailoring leading to phonon scattering at interfaces and nanograin domains to achieve low thermal conductivity is also highlighted.

Correlation-based Transition Modeling for External Aerodynamic Flows

NASA Astrophysics Data System (ADS)

Medida, Shivaji

Conventional turbulence models calibrated for fully turbulent boundary layers often over-predict drag and heat transfer on aerodynamic surfaces with partially laminar boundary layers. A robust correlation-based model is developed for use in Reynolds-Averaged Navier-Stokes simulations to predict laminar-to-turbulent transition onset of boundary layers on external aerodynamic surfaces. The new model is derived from an existing transition model for the two-equation k-omega Shear Stress Transport (SST) turbulence model, and is coupled with the one-equation Spalart-Allmaras (SA) turbulence model. The transition model solves two transport equations for intermittency and transition momentum thickness Reynolds number. Experimental correlations and local mean flow quantities are used in the model to account for effects of freestream turbulence level and pressure gradients on transition onset location. Transition onset is triggered by activating intermittency production using a vorticity Reynolds number criterion. In the new model, production and destruction terms of the intermittency equation are modified to improve consistency in the fully turbulent boundary layer post-transition onset, as well as ensure insensitivity to freestream eddy viscosity value specified in the SA model. In the original model, intermittency was used to control production and destruction of turbulent kinetic energy. Whereas, in the new model, only the production of eddy viscosity in SA model is controlled, and the destruction term is not altered. Unlike the original model, the new model does not use an additional correction to intermittency for separation-induced transition. Accuracy of drag predictions are improved significantly with the use of the transition model for several two-dimensional single- and multi-element airfoil cases over a wide range of Reynolds numbers. The new model is able to predict the formation of stable and long laminar separation bubbles on low-Reynolds number airfoils that is not captured with conventional turbulence models. The validated transition model is successfully applied to rotating blade configurations in axial flow conditions to study the effects of transitional boundary layers on rotor thrust and torque. In helicopter rotors, inclusion of transition effects increased thrust prediction by 2% and decreased torque by as much as 8% at lower collective angles, due to reduced airfoil profile drag. In wind turbine rotors, transition model predicted a 7%--70% increase in generated shaft torque at lower wind speeds, due to lower viscous drag. This has important implications for CFD analysis of small wind turbines operating at low values of rated power. Transition onset locations along upper and lower surfaces of rotor blades are analyzed in detail. A new crossflow transition onset criterion is developed to account for crossflow instability effects in three-dimensional boundary layers. Preliminary results for swept wing and rotating blade flows demonstrate the need to account for crossflow transition in three-dimensional simulations of wings, rotating blades, and airframes. Inclusion of crossflow effects resulted in accelerated transition in the presence of favorable pressure gradients and yawed flow. Finally, a new correction to the wall damping function in the Spalart-Allmaras turbulence model is proposed to improve sensitivity of the model to strong adverse pressure gradients (APG). The correction reduces turbulence production in the boundary layer when the ratio of magnitudes of local turbulent stress to the wall shear stress exceeds a threshold value, therefore enabling earlier separation of boundary layer. Improved prediction of static and dynamic stall on two-dimensional airfoils is demonstrated with the APG correction.

Assessment of Spectral and Temporal Resolution in Cochlear Implant Users Using Psychoacoustic Discrimination and Speech Cue Categorization.

PubMed

Winn, Matthew B; Won, Jong Ho; Moon, Il Joon

This study was conducted to measure auditory perception by cochlear implant users in the spectral and temporal domains, using tests of either categorization (using speech-based cues) or discrimination (using conventional psychoacoustic tests). The authors hypothesized that traditional nonlinguistic tests assessing spectral and temporal auditory resolution would correspond to speech-based measures assessing specific aspects of phonetic categorization assumed to depend on spectral and temporal auditory resolution. The authors further hypothesized that speech-based categorization performance would ultimately be a superior predictor of speech recognition performance, because of the fundamental nature of speech recognition as categorization. Nineteen cochlear implant listeners and 10 listeners with normal hearing participated in a suite of tasks that included spectral ripple discrimination, temporal modulation detection, and syllable categorization, which was split into a spectral cue-based task (targeting the /ba/-/da/ contrast) and a timing cue-based task (targeting the /b/-/p/ and /d/-/t/ contrasts). Speech sounds were manipulated to contain specific spectral or temporal modulations (formant transitions or voice onset time, respectively) that could be categorized. Categorization responses were quantified using logistic regression to assess perceptual sensitivity to acoustic phonetic cues. Word recognition testing was also conducted for cochlear implant listeners. Cochlear implant users were generally less successful at utilizing both spectral and temporal cues for categorization compared with listeners with normal hearing. For the cochlear implant listener group, spectral ripple discrimination was significantly correlated with the categorization of formant transitions; both were correlated with better word recognition. Temporal modulation detection using 100- and 10-Hz-modulated noise was not correlated either with the cochlear implant subjects' categorization of voice onset time or with word recognition. Word recognition was correlated more closely with categorization of the controlled speech cues than with performance on the psychophysical discrimination tasks. When evaluating people with cochlear implants, controlled speech-based stimuli are feasible to use in tests of auditory cue categorization, to complement traditional measures of auditory discrimination. Stimuli based on specific speech cues correspond to counterpart nonlinguistic measures of discrimination, but potentially show better correspondence with speech perception more generally. The ubiquity of the spectral (formant transition) and temporal (voice onset time) stimulus dimensions across languages highlights the potential to use this testing approach even in cases where English is not the native language.

Assessment of spectral and temporal resolution in cochlear implant users using psychoacoustic discrimination and speech cue categorization

PubMed Central

Winn, Matthew B.; Won, Jong Ho; Moon, Il Joon

2016-01-01

Objectives This study was conducted to measure auditory perception by cochlear implant users in the spectral and temporal domains, using tests of either categorization (using speech-based cues) or discrimination (using conventional psychoacoustic tests). We hypothesized that traditional nonlinguistic tests assessing spectral and temporal auditory resolution would correspond to speech-based measures assessing specific aspects of phonetic categorization assumed to depend on spectral and temporal auditory resolution. We further hypothesized that speech-based categorization performance would ultimately be a superior predictor of speech recognition performance, because of the fundamental nature of speech recognition as categorization. Design Nineteen CI listeners and 10 listeners with normal hearing (NH) participated in a suite of tasks that included spectral ripple discrimination (SRD), temporal modulation detection (TMD), and syllable categorization, which was split into a spectral-cue-based task (targeting the /ba/-/da/ contrast) and a timing-cue-based task (targeting the /b/-/p/ and /d/-/t/ contrasts). Speech sounds were manipulated in order to contain specific spectral or temporal modulations (formant transitions or voice onset time, respectively) that could be categorized. Categorization responses were quantified using logistic regression in order to assess perceptual sensitivity to acoustic phonetic cues. Word recognition testing was also conducted for CI listeners. Results CI users were generally less successful at utilizing both spectral and temporal cues for categorization compared to listeners with normal hearing. For the CI listener group, SRD was significantly correlated with the categorization of formant transitions; both were correlated with better word recognition. TMD using 100 Hz and 10 Hz modulated noise was not correlated with the CI subjects’ categorization of VOT, nor with word recognition. Word recognition was correlated more closely with categorization of the controlled speech cues than with performance on the psychophysical discrimination tasks. Conclusions When evaluating people with cochlear implants, controlled speech-based stimuli are feasible to use in tests of auditory cue categorization, to complement traditional measures of auditory discrimination. Stimuli based on specific speech cues correspond to counterpart non-linguistic measures of discrimination, but potentially show better correspondence with speech perception more generally. The ubiquity of the spectral (formant transition) and temporal (VOT) stimulus dimensions across languages highlights the potential to use this testing approach even in cases where English is not the native language. PMID:27438871

ARPES investigations of parent compounds of 122 Fe-based superconductors and their 3d transition metal cousins

NASA Astrophysics Data System (ADS)

Richard, Pierre; Zhang, W.-L.; Wu, S.-F.; van Roekeghem, A.; Zhang, P.; Miao, H.; Qian, T.; Nie, S.-M.; Chen, G.-F.; Ding, H.; Xu, N.; Biermann, S.; Capan, C.; Fisk, Z.; Saparov, B. I.; Sefat, A. S.

2015-03-01

It is widely believed that the key ingredients for high-temperature superconductivity are already present in the non-superconducting parent compounds. With its ability to probe the single-particle electronic structure directly in the momentum space, ARPES is a very powerful tool to determine which parameters of the electronic structure are possibly relevant for promoting superconductivity. Here we report ARPES studies on the parent compounds of the 122 family of Fe-based superconductors and their 3 d transition metal pnictide cousins. In particular, we show that the Fe-compound exhibits the largest electronic correlations, possibly a determining factor for unconventional superconductivity.

Comprehensive studies of interfacial strain and oxygen vacancy on metal-insulator transition of VO2 film

NASA Astrophysics Data System (ADS)

Fan, L. L.; Chen, S.; Liao, G. M.; Chen, Y. L.; Ren, H.; Zou, C. W.

2016-06-01

As a typical strong correlation material, vanadium dioxide (VO2) has attracted wide interest due to its particular metal-insulator transition (MIT) property. However, the relatively high critical temperature (T c) of ~68 °C seriously hinders its practical applications. Thus modulating the phase transition process and decreasing the T c close to room temperature have been hot topics for VO2 study. In the current work, we conducted a multi-approach strategy to control the phase transition of VO2 films, including the interfacial tensile/compressive strain and oxygen vacancies. A synchrotron radiation reciprocal space mapping technique was used to directly record the interfacial strain evolution and variations of lattice parameters. The effects of interfacial strain and oxygen vacancies in the MIT process were systematically investigated based on band structure and d-orbital electron occupation. It was suggested that the MIT behavior can be modulated through the combined effects of the interfacial strain and oxygen vacancies, achieving the distinct phase transition close to room temperature. The current findings not only provide better understanding for strain engineering and oxygen vacancies controlling phase transition behavior, but also supply a combined way to control the phase transition of VO2 film, which is essential for VO2 film based device applications in the future.

Comprehensive studies of interfacial strain and oxygen vacancy on metal-insulator transition of VO2 film.

PubMed

Fan, L L; Chen, S; Liao, G M; Chen, Y L; Ren, H; Zou, C W

2016-06-29

As a typical strong correlation material, vanadium dioxide (VO2) has attracted wide interest due to its particular metal-insulator transition (MIT) property. However, the relatively high critical temperature (T c) of ~68 °C seriously hinders its practical applications. Thus modulating the phase transition process and decreasing the T c close to room temperature have been hot topics for VO2 study. In the current work, we conducted a multi-approach strategy to control the phase transition of VO2 films, including the interfacial tensile/compressive strain and oxygen vacancies. A synchrotron radiation reciprocal space mapping technique was used to directly record the interfacial strain evolution and variations of lattice parameters. The effects of interfacial strain and oxygen vacancies in the MIT process were systematically investigated based on band structure and d-orbital electron occupation. It was suggested that the MIT behavior can be modulated through the combined effects of the interfacial strain and oxygen vacancies, achieving the distinct phase transition close to room temperature. The current findings not only provide better understanding for strain engineering and oxygen vacancies controlling phase transition behavior, but also supply a combined way to control the phase transition of VO2 film, which is essential for VO2 film based device applications in the future.

Calibration of a γ- Re θ transition model and its application in low-speed flows

NASA Astrophysics Data System (ADS)

Wang, YunTao; Zhang, YuLun; Meng, DeHong; Wang, GunXue; Li, Song

2014-12-01

The prediction of laminar-turbulent transition in boundary layer is very important for obtaining accurate aerodynamic characteristics with computational fluid dynamic (CFD) tools, because laminar-turbulent transition is directly related to complex flow phenomena in boundary layer and separated flow in space. Unfortunately, the transition effect isn't included in today's major CFD tools because of non-local calculations in transition modeling. In this paper, Menter's γ- Re θ transition model is calibrated and incorporated into a Reynolds-Averaged Navier-Stokes (RANS) code — Trisonic Platform (TRIP) developed in China Aerodynamic Research and Development Center (CARDC). Based on the experimental data of flat plate from the literature, the empirical correlations involved in the transition model are modified and calibrated numerically. Numerical simulation for low-speed flow of Trapezoidal Wing (Trap Wing) is performed and compared with the corresponding experimental data. It is indicated that the γ- Re θ transition model can accurately predict the location of separation-induced transition and natural transition in the flow region with moderate pressure gradient. The transition model effectively imporves the simulation accuracy of the boundary layer and aerodynamic characteristics.

Correlation of intercalation potential with d-electron configurations for cathode compounds of lithium-ion batteries.

PubMed

Chen, Zhenlian; Zhang, Caixia; Zhang, Zhiyong; Li, Jun

2014-07-14

The d-electron localization is widely recognized as important to transport properties of transition metal compounds, but its role in the energy conversion of intercalation reactions of cathode compounds is still not fully explored. In this work, the correlation of intercalation potential with electron affinity, a key energy term controlling electron intercalation, then with d-electron configuration, is investigated. Firstly, we find that the change of the intercalation potential with respect to the transition metal cations within the same structure class is correlated in an approximately mirror relationship with the electron affinity, based on first-principles calculations on three typical categories of cathode compounds including layered oxides and polyoxyanions Then, by using a new model Hamiltonian based on the crystal-field theory, we reveal that the evolution is governed by the combination of the crystal-field splitting and the on-site d-d exchange interactions. Further, we show that the charge order in solid-solution composites and the compatibility of multi-electron redox steps could be inferred from the energy terms with the d-electron configuration alternations. These findings may be applied to rationally designing new chemistry for the lithium-ion batteries and other metal-ion batteries.

Confirming Time-reversal Symmetry of a Directed Percolation Phase Transition in a Model of Neutral Evolutionary Dynamics

NASA Astrophysics Data System (ADS)

Ordway, Stephen; King, Dawn; Bahar, Sonya

Reaction-diffusion processes, such as branching-coalescing random walks, can be used to describe the underlying dynamics of nonequilibrium phase transitions. In an agent-based, neutral model of evolutionary dynamics, we have previously shown that our system undergoes a continuous, nonequilibrium phase transition, from extinction to survival, as various system parameters were tuned. This model was shown to belong to the directed percolation (DP) universality class, by measuring the critical exponents corresponding to correlation length ξ⊥, correlation time ξ| |, and particle density β. The fourth critical exponent that defines the DP universality class is β', which measures the survival probability of growth from a single seed organism. Since DP universality is theorized to have time-reversal symmetry, it is assumed that β = β '. In order to confirm the existence of time-reversal symmetry in our model, we evaluate the system growth from a single asexually reproducing organism. Importantly, the critical exponent β' could be useful for comparison to experimental studies of phase transitions in biological systems, since observing growth of microbial populations is significantly easier than observing death. This research was supported by funding from the James S. McDonnell Foundation.

Effect of Protuberance Shape and Orientation on Space Shuttle Orbiter Boundary-Layer Transition

NASA Technical Reports Server (NTRS)

King, RUdolph A.; Berry, Scott A.; Kegerise, Michael A.

2008-01-01

This document describes an experimental study conducted to examine the effects of protuberances on hypersonic boundary-layer transition. The experiment was conducted in the Langley 20-Inch Mach 6 Tunnel on a series of 0.9%-scale Shuttle Orbiter models. The data were acquired to complement the existing ground-based boundary-layer transition database that was used to develop Version 1.0 of the boundary-layer transition RTF (return-to-flight) tool. The existing ground-based data were all acquired on 0.75%-scale Orbiter models using diamond-shaped ( pizza-box ) trips. The larger model scale facilitated in manufacturing higher fidelity protuberances. The end use of this experimental database will be to develop a technical basis (in the form of a boundary-layer transition correlation) to assess representative protrusion shapes, e.g., gap fillers and protrusions resulting from possible tile repair concepts. The primary objective of this study is to investigate the effects of protuberance-trip location and geometry on Shuttle Orbiter boundary-layer transition. Secondary goals are to assess the effects of gap-filler orientation and other protrusion shapes on boundary-layer transition. Global heat-transfer images using phosphor thermography of the Orbiter windward surface and the corresponding streamwise and spanwise heating distributions were used to infer the state of the boundary layer, i.e., laminar, transitional, or turbulent.

Photoluminescence response of colloidal quantum dots on VO2 film across metal to insulator transition

PubMed Central

2014-01-01

We have proposed a method to probe metal to insulator transition in VO2 measuring photoluminescence response of colloidal quantum dots deposited on the VO2 film. In addition to linear luminescence intensity decrease with temperature that is well known for quantum dots, temperature ranges with enhanced photoluminescence changes have been found during phase transition in the oxide. Corresponding temperature derived from luminescence dependence on temperature closely correlates with that from resistance measurement during heating. The supporting reflectance data point out that photoluminescence response mimics a reflectance change in VO2 across metal to insulator transition. Time-resolved photoluminescence study did not reveal any significant change of luminescence lifetime of deposited quantum dots under metal to insulator transition. It is a strong argument in favor of the proposed explanation based on the reflectance data. PACS 71.30. + h; 73.21.La; 78.47.jd PMID:25404877

An intermittency model for predicting roughness induced transition

NASA Astrophysics Data System (ADS)

Ge, Xuan; Durbin, Paul

2014-11-01

An extended model for roughness-induced transition is proposed based on an intermittency transport equation for RANS modeling formulated in local variables. To predict roughness effects in the fully turbulent boundary layer, published boundary conditions for k and ω are used, which depend on the equivalent sand grain roughness height, and account for the effective displacement of wall distance origin. Similarly in our approach, wall distance in the transition model for smooth surfaces is modified by an effective origin, which depends on roughness. Flat plate test cases are computed to show that the proposed model is able to predict the transition onset in agreement with a data correlation of transition location versus roughness height, Reynolds number, and inlet turbulence intensity. Experimental data for a turbine cascade are compared with the predicted results to validate the applicability of the proposed model. Supported by NSF Award Number 1228195.

Supersonic/Hypersonic Correlations for In-Cavity Transition and Heating Augmentation

NASA Technical Reports Server (NTRS)

Everhart, Joel L.

2011-01-01

Laminar-entry cavity heating data with a non-laminar boundary layer exit flow have been retrieved from the database developed at Mach 6 and 10 in air on large flat plate models for the Space Shuttle Return-To-Flight Program. Building on previously published fully laminar and fully turbulent analysis methods, new descriptive correlations of the in-cavity floor-averaged heating and endwall maximum heating have been developed for transitional-to-turbulent exit flow. These new local-cavity correlations provide the expected flow and geometry conditions for transition onset; they provide the incremental heating augmentation induced by transitional flow; and, they provide the transitional-to-turbulent exit cavity length. Furthermore, they provide an upper application limit for the previously developed fully-laminar heating correlations. An example is provided that demonstrates simplicity of application. Heating augmentation factors of 12 and 3 above the fully laminar values are shown to exist on the cavity floor and endwall, respectively, if the flow exits in fully tripped-to-turbulent boundary layer state. Cavity floor heating data in geometries installed on the windward surface of 0.075-scale Shuttle wind tunnel models have also been retrieved from the boundary layer transition database developed for the Return-To-Flight Program. These data were independently acquired at Mach 6 and Mach 10 in air, and at Mach 6 in CF4. The correlation parameters for the floor-averaged heating have been developed and they offer an exceptionally positive comparison to previously developed laminar-cavity heating correlations. Non-laminar increments have been extracted from the Shuttle data and they fall on the newly developed transitional in-cavity correlations, and they are bounded by the 95% correlation prediction limits. Because the ratio of specific heats changes along the re-entry trajectory, turning angle into a cavity and boundary layer flow properties may be affected, raising concerns regarding the application validity of the heating augmentation predictions.

Experiments on Hypersonic Roughness Induced Transition by Means of Infrared Thermography

NASA Astrophysics Data System (ADS)

Schrijer, F. F. J.; Scarano, F.; van Oudheusden, B. W.; Bannink, W. J.

2005-02-01

Roughness induced boundary layer transition is experimentally investigated in the hypersonic flow regime at M = 9. The primary interest is the possible effect of stepwise geometry imperfections (2D isolated roughness) on (boundary layer) transition which may be caused on the EXPERT vehicle by the difference in thermal expansion due to the different materials used in the vehicle-nose construction. Also 3D isolated and 3D distributed roughness configurations were studied. Quantitative Infra-Red Thermography (QIRT) is used as primary diagnostic technique to measure the surface convective heat transfer and to detect boundary layer laminar-to-turbulent transition. The investigation shows that for a given height of the roughness element, the boundary layer is least sensitive to a step-like disturbance, whereas distributed 3D roughness was found to be effective in triggering transition. The experimental results have been compared to existing hypersonic transition correlations (PANT and Shuttle). Finally a transition criterion is evaluated which is based on the critical roughness height Reynolds number. Usage of this criterion enables a straightforward extrapolation to flight. Key words: hypersonic flow, boundary layer transition.

Failure criterion for materials with spatially correlated mechanical properties

NASA Astrophysics Data System (ADS)

Faillettaz, J.; Or, D.

2015-03-01

The role of spatially correlated mechanical elements in the failure behavior of heterogeneous materials represented by fiber bundle models (FBMs) was evaluated systematically for different load redistribution rules. Increasing the range of spatial correlation for FBMs with local load sharing is marked by a transition from ductilelike failure characteristics into brittlelike failure. The study identified a global failure criterion based on macroscopic properties (external load and cumulative damage) that is independent of spatial correlation or load redistribution rules. This general metric could be applied to assess the mechanical stability of complex and heterogeneous systems and thus provide an important component for early warning of a class of geophysical ruptures.

Error reduction study employing a pseudo-random binary sequence for use in acoustic pyrometry of gases

NASA Astrophysics Data System (ADS)

Ewan, B. C. R.; Ireland, S. N.

2000-12-01

Acoustic pyrometry uses the temperature dependence of sound speed in materials to measure temperature. This is normally achieved by measuring the transit time for a sound signal over a known path length and applying the material relation between temperature and velocity to extract an "average" temperature. Sources of error associated with the measurement of mean transit time are discussed in implementing the technique in gases, one of the principal causes being background noise in typical industrial environments. A number of transmitted signal and processing strategies which can be used in the area are examined and the expected error in mean transit time associated with each technique is quantified. Transmitted signals included pulses, pure frequencies, chirps, and pseudorandom binary sequences (prbs), while processing involves edge detection and correlation. Errors arise through the misinterpretation of the positions of edge arrival or correlation peaks due to instantaneous deviations associated with background noise and these become more severe as signal to noise amplitude ratios decrease. Population errors in the mean transit time are estimated for the different measurement strategies and it is concluded that PRBS combined with correlation can provide the lowest errors when operating in high noise environments. The operation of an instrument based on PRBS transmitted signals is described and test results under controlled noise conditions are presented. These confirm the value of the strategy and demonstrate that measurements can be made with signal to noise amplitude ratios down to 0.5.

Imaging metal-like monoclinic phase stabilized by surface coordination effect in vanadium dioxide nanobeam

PubMed Central

Li, Zejun; Wu, Jiajing; Hu, Zhenpeng; Lin, Yue; Chen, Qi; Guo, Yuqiao; Liu, Yuhua; Zhao, Yingcheng; Peng, Jing; Chu, Wangsheng; Wu, Changzheng; Xie, Yi

2017-01-01

In correlated systems, intermediate states usually appear transiently across phase transitions even at the femtosecond scale. It therefore remains an open question how to determine these intermediate states—a critical issue for understanding the origin of their correlated behaviour. Here we report a surface coordination route to successfully stabilize and directly image an intermediate state in the metal-insulator transition of vanadium dioxide. As a prototype metal-insulator transition material, we capture an unusual metal-like monoclinic phase at room temperature that has long been predicted. Coordinate bonding of L-ascorbic acid molecules with vanadium dioxide nanobeams induces charge-carrier density reorganization and stabilizes metallic monoclinic vanadium dioxide, unravelling orbital-selective Mott correlation for gap opening of the vanadium dioxide metal–insulator transition. Our study contributes to completing phase-evolution pathways in the metal-insulator transition process, and we anticipate that coordination chemistry may be a powerful tool for engineering properties of low-dimensional correlated solids. PMID:28613281

Ab initio MCHF structural calculations of Mg-like cerium

NASA Astrophysics Data System (ADS)

Wajid, Abdul; Jabeen, S.; Husain, Abid

2018-05-01

Energy levels and emission line wavelengths of high-Z materials are useful for impurity diagnostics in the next generation fusion devices. For this here we have calculated E1, M2 transitions, oscillator strengths, and transition probabilities for transitions among the terms belonging to the 2p63s2, 2p63s3p, 2p63p2 and 2p63s3d for the Magnesium like cerium (Ce XLVII) using the GRASP2K package based on the fully relativistic multi-configuration Dirac-Fock method. The electron correlation effects, Breit interaction and quantum electrodynamics effects to the atomic state wave functions and the corresponding energies have been taken into account.

Pilot scanning patterns while viewing cockpit displays of traffic information

NASA Technical Reports Server (NTRS)

Ellis, S. R.; Stark, L.

1981-01-01

Scanning eye movements of airline pilots were recorded while they judged air traffic situations displayed on cockpit displays of traffic information (CDTI). The observed 1st order transition patterns between points of interest on the display showed reliable deviation from those patterns predicted by the assumption of statistical independence. However, both patterns of transitions correlated quite well with each other. Accordingly, the assumption of independence provided a surprisingly good model of the results. Nevertheless, the deviation between the observed patterns of transition and that based on the assumption of independence was for all subjects in the direction of increased determinism. Thus, the results provide objective evidence consistent with the existence of "scanpaths" in the data.

Analysis of Free-Flight Laminar, Transitional, and Turbulent Heat-Transfer Results at Free-Stream Mach Numbers Near 20 (Reentry F)

NASA Technical Reports Server (NTRS)

Zoby, Ernest V.; Rumsey, Charles B.

1971-01-01

Laminar, transitional, and turbulent heat-transfer data were measured during a reentry flight at a Mach number of 20 on a 5 deg half-angle cone 3.962 m (13 ft) long with an initial nose tip radius of 0.254 cm (0.1 in.). The free-stream Reynolds number increased during the prime data period from 7.0 x 10(exp 6) to 51.5 x 10(exp 6) per meter (2.1 x 10(exp 6) to 15.7 x 10(exp 6) per foot) and the ratio of wall to total temperature varied from 0.053 to 0.12. The angle of attack was less than 1deg for the prime data period. The experimental laminar and turbulent heating rates are compared with results from existing flat-plate prediction methods. At conditions of minimal tip blunting and angle of attack (above 26.8 km (88 000 ft)), values from a flat-plate laminar method agreed within 20 percent with the laminar data. The Schultz-Grunow skin-friction equation with reference enthalpy; conditions, with the Reynolds number based on distance from the transition location, and with the Colburn Reynolds analogy agreed within 10 percent with the experimental turbuleiit heating data. The Van Driest n skin-friction equation with Reynolds number greater than 10(exp 7) based on distance from the peak heating point and the Colburn Reynolds analogy was also within approximately 10 percent of the experimental turbulent heating data. A data correlation jbf the extent of transition and a simple empirical transition-zone heating correlation were also presented.

Density functional plus dynamical mean-field theory of the metal-insulator transition in early transition-metal oxides

NASA Astrophysics Data System (ADS)

Dang, Hung T.; Ai, Xinyuan; Millis, Andrew J.; Marianetti, Chris A.

2014-09-01

The combination of density functional theory and single-site dynamical mean-field theory, using both Hartree and full continuous-time quantum Monte Carlo impurity solvers, is used to study the metal-insulator phase diagram of perovskite transition-metal oxides of the form ABO3 with a rare-earth ion A =Sr, La, Y and transition metal B =Ti, V, Cr. The correlated subspace is constructed from atomiclike d orbitals defined using maximally localized Wannier functions derived from the full p-d manifold; for comparison, results obtained using a projector method are also given. Paramagnetic DFT + DMFT computations using full charge self-consistency along with the standard "fully localized limit" (FLL) double counting are shown to incorrectly predict that LaTiO3, YTiO3, LaVO3, and SrMnO3 are metals. A more general examination of the dependence of physical properties on the mean p-d energy splitting, the occupancy of the correlated d states, the double-counting correction, and the lattice structure demonstrates the importance of charge-transfer physics even in the early transition-metal oxides and elucidates the factors underlying the failure of the standard approximations. If the double counting is chosen to produce a p-d splitting consistent with experimental spectra, single-site dynamical mean-field theory provides a reasonable account of the materials properties. The relation of the results to those obtained from "d-only" models in which the correlation problem is based on the frontier orbital p-d antibonding bands is determined. It is found that if an effective interaction U is properly chosen the d-only model provides a good account of the physics of the d1 and d2 materials.

Simulating boundary layer transition with low-Reynolds-number k-epsilon turbulence models. I - An evaluation of prediction characteristics. II - An approach to improving the predictions

NASA Technical Reports Server (NTRS)

Schmidt, R. C.; Patankar, S. V.

1991-01-01

The capability of two k-epsilon low-Reynolds number (LRN) turbulence models, those of Jones and Launder (1972) and Lam and Bremhorst (1981), to predict transition in external boundary-layer flows subject to free-stream turbulence is analyzed. Both models correctly predict the basic qualitative aspects of boundary-layer transition with free stream turbulence, but for calculations started at low values of certain defined Reynolds numbers, the transition is generally predicted at unrealistically early locations. Also, the methods predict transition lengths significantly shorter than those found experimentally. An approach to overcoming these deficiencies without abandoning the basic LRN k-epsilon framework is developed. This approach limits the production term in the turbulent kinetic energy equation and is based on a simple stability criterion. It is correlated to the free-stream turbulence value. The modification is shown to improve the qualitative and quantitative characteristics of the transition predictions.

Effective equilibrium picture in the x y model with exponentially correlated noise

NASA Astrophysics Data System (ADS)

Paoluzzi, Matteo; Marconi, Umberto Marini Bettolo; Maggi, Claudio

2018-02-01

We study the effect of exponentially correlated noise on the x y model in the limit of small correlation time, discussing the order-disorder transition in the mean field and the topological transition in two dimensions. We map the steady states of the nonequilibrium dynamics into an effective equilibrium theory. In the mean field, the critical temperature increases with the noise correlation time τ , indicating that memory effects promote ordering. This finding is confirmed by numerical simulations. The topological transition temperature in two dimensions remains untouched. However, finite-size effects induce a crossover in the vortices proliferation that is confirmed by numerical simulations.

Effective equilibrium picture in the xy model with exponentially correlated noise.

PubMed

Paoluzzi, Matteo; Marconi, Umberto Marini Bettolo; Maggi, Claudio

2018-02-01

We study the effect of exponentially correlated noise on the xy model in the limit of small correlation time, discussing the order-disorder transition in the mean field and the topological transition in two dimensions. We map the steady states of the nonequilibrium dynamics into an effective equilibrium theory. In the mean field, the critical temperature increases with the noise correlation time τ, indicating that memory effects promote ordering. This finding is confirmed by numerical simulations. The topological transition temperature in two dimensions remains untouched. However, finite-size effects induce a crossover in the vortices proliferation that is confirmed by numerical simulations.

Velocity-vorticity correlation structures (VVCS) in spatially developing compressible turbulent boundary layer

NASA Astrophysics Data System (ADS)

Li, Shi-Yao; She, Zhen-Su; Chen, Jun

2017-11-01

A velocity-vorticity correlation structure (VVCS) analysis is applied to the direct numerical simulation (DNS) of compressible turbulent boundary layer (CTBL) at Mach numbers, Ma = 2.25 , 4.50 and 6.0 . It is shown that the VVCS analysis captures the geometry variation in the streamwise direction during the transition and in the wall-normal direction in the fully developed regime. Specifically, before transition, the VVCS captures the instability wave number, while in the transition region it displays a distinct scaling change of the dimensions. The fully developed turbulence regime is characterized by a nearly constant spatial extension of the VVCS. Particularly, after turbulence is well developed, a multi-layer structure in the wall normal direction is observed in the maximum correlation coefficient and in the length scales of the VVCS, as expected from a recent symmetry-based theory, the ensemble structure dynamics (SED). The most interesting outcome is an observed linear dependence of the length scale of the VVCS from y+ 50 to 200, which is a direct support to Townsend's attached-eddy theory. In conclusion, the VVCS analysis quantifies the geometrical characteristics of the coherent structures in turbulent compressible shear flows throughout the whole domain. Supported by NSFC (11172006, 11221062, 11452002) and by MOST (China) 973 project (2009CB724100).

Correlation between Colon Transit Time Test Value and Initial Maintenance Dose of Laxative in Children with Chronic Functional Constipation

PubMed Central

Kim, Mock Ryeon; Park, Hye Won; Son, Jae Sung; Lee, Ran

2016-01-01

Purpose To evaluate the correlation between colon transit time (CTT) test value and initial maintenance dose of polyethylene glycol (PEG) 4000 or lactulose. Methods Of 415 children with chronic functional constipation, 190 were enrolled based on exclusion criteria using the CTT test, defecation diary, and clinical chart. The CTT test was performed with prior disimpaction. The laxative dose for maintenance was determined on the basis of the defecation diary and clinical chart. The Shapiro-Wilk test and Pearson's and Spearman's correlations were used for statistical analysis. Results The overall group median value and interquartile range of the CTT test was 43.8 (31.8) hours. The average PEG 4000 dose for maintenance in the overall group was 0.68±0.18 g/kg/d; according to age, the dose was 0.73±0.16 g/kg/d (<8 years), 0.53±0.12 g/kg/d (8 to <12 years), and 0.36±0.05 g/kg/d (12 to 15 years). The dose of lactulose was 1.99±0.43 mL/kg/d (<8 years) or 1.26±0.25 mL/kg/d (8 to <12 years). There was no significant correlation between CTT test value and initial dose of laxative, irrespective of the subgroup (encopresis, abnormal CTT test subtype) for either laxative. Even in the largest group (overall, n=109, younger than 8 years and on PEG 4000), the correlation was weak (Pearson's correlation coefficient [R]=0.268, p=0.005). Within the abnormal transit group, subgroup (n=73, younger than 8 years and on PEG 4000) correlation was weak (R=0.267, p=0.022). Conclusion CTT test value cannot predict the initial maintenance dose of PEG 4000 or lactulose with linear correlation. PMID:27738600

Effect of correlations on controllability transition in network control

PubMed Central

Nie, Sen; Wang, Xu-Wen; Wang, Bing-Hong; Jiang, Luo-Luo

2016-01-01

The network control problem has recently attracted an increasing amount of attention, owing to concerns including the avoidance of cascading failures of power-grids and the management of ecological networks. It has been proven that numerical control can be achieved if the number of control inputs exceeds a certain transition point. In the present study, we investigate the effect of degree correlation on the numerical controllability in networks whose topological structures are reconstructed from both real and modeling systems, and we find that the transition point of the number of control inputs depends strongly on the degree correlation in both undirected and directed networks with moderately sparse links. More interestingly, the effect of the degree correlation on the transition point cannot be observed in dense networks for numerical controllability, which contrasts with the corresponding result for structural controllability. In particular, for directed random networks and scale-free networks, the influence of the degree correlation is determined by the types of correlations. Our approach provides an understanding of control problems in complex sparse networks. PMID:27063294

Condensation to a strongly correlated dark fluid of two dimensional dipolar excitons

NASA Astrophysics Data System (ADS)

Mazuz-Harpaz, Yotam; Cohen, Kobi; Rapaport, Ronen

2017-08-01

Recently we reported on the condensation of cold, electrostatically trapped dipolar excitons in GaAs bilayer heterostructure into a new, dense and dark collective phase. Here we analyze and discuss in detail the experimental findings and the emerging evident properties of this collective liquid-like phase. We show that the phase transition is characterized by a sharp increase of the number of non-emitting dipoles, by a clear contraction of the fluid spatial extent into the bottom of the parabolic-like trap, and by spectral narrowing. We extract the total density of the condensed phase which we find to be consistent with the expected density regime of a quantum liquid. We show that there are clear critical temperature and excitation power onsets for the phase transition and that as the power further increases above the critical power, the strong darkening is reduced down until no clear darkening is observed. At this point another transition appears which we interpret as a transition to a strongly repulsive yet correlated e-h plasma. Based on the experimental findings, we suggest that the physical mechanism that may be responsible for the transition is a dynamical final-state stimulation of the dipolar excitons to their dark spin states, which have a long lifetime and thus support the observed sharp increase in density. Further experiments and modeling will hopefully be able to unambiguously identify the physical mechanism behind these recent observations.

The Denaturation Transition of DNA in Mixed Solvents

PubMed Central

Hammouda, Boualem; Worcester, David

2006-01-01

The helix-to-coil denaturation transition in DNA has been investigated in mixed solvents at high concentration using ultraviolet light absorption spectroscopy and small-angle neutron scattering. Two solvents have been used: water and ethylene glycol. The “melting” transition temperature was found to be 94°C for 4% mass fraction DNA/d-water and 38°C for 4% mass fraction DNA/d-ethylene glycol. The DNA melting transition temperature was found to vary linearly with the solvent fraction in the mixed solvents case. Deuterated solvents (d-water and d-ethylene glycol) were used to enhance the small-angle neutron scattering signal and 0.1M NaCl (or 0.0058 g/g mass fraction) salt concentration was added to screen charge interactions in all cases. DNA structural information was obtained by small-angle neutron scattering, including a correlation length characteristic of the inter-distance between the hydrogen-containing (desoxyribose sugar-amine base) groups. This correlation length was found to increase from 8.5 to 12.3 Å across the melting transition. Ethylene glycol and water mixed solvents were found to mix randomly in the solvation region in the helix phase, but nonideal solvent mixing was found in the melted coil phase. In the coil phase, solvent mixtures are more effective solvating agents than either of the individual solvents. Once melted, DNA coils behave like swollen water-soluble synthetic polymer chains. PMID:16815902

Phase transition transistors based on strongly-correlated materials

NASA Astrophysics Data System (ADS)

Nakano, Masaki

2013-03-01

The field-effect transistor (FET) provides electrical switching functions through linear control of the number of charges at a channel surface by external voltage. Controlling electronic phases of condensed matters in a FET geometry has long been a central issue of physical science. In particular, FET based on a strongly correlated material, namely ``Mott transistor,'' has attracted considerable interest, because it potentially provides gigantic and diverse electronic responses due to a strong interplay between charge, spin, orbital and lattice. We have investigated electric-field effects on such materials aiming at novel physical phenomena and electronic functions originating from strong correlation effects. Here we demonstrate electrical switching of bulk state of matter over the first-order metal-insulator transition. We fabricated FETs based on VO2 with use of a recently developed electric-double-layer transistor technique, and found that the electrostatically induced carriers at a channel surface drive all preexisting localized carriers of 1022 cm-3 even inside a bulk to motion, leading to bulk carrier delocalization beyond the electrostatic screening length. This non-local switching of bulk phases is achieved with just around 1 V, and moreover, a novel non-volatile memory like character emerges in a voltage-sweep measurement. These observations are apparently distinct from those of conventional FETs based on band insulators, capturing the essential feature of collective interactions in strongly correlated materials. This work was done in collaboration with K. Shibuya, D. Okuyama, T. Hatano, S. Ono, M. Kawasaki, Y. Iwasa, and Y. Tokura. This work was supported by the Japan Society for the Promotion of Science (JSAP) through its ``Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program).''

Correlation of nosetip boundary-layer transition data measured in ballistics-range experiments

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

Reda, D.C.

1979-11-01

Preablated nosetips of various carbonaceous materials were tested in a ballistics range. Surface-temperature contours, measured with image-converter cameras, were used to define boundary-layer transition-fron contours. Measurements of surface roughness, surface temperature, average transition-calculations of nosetip flowfields, and with calculations of laminar boundary-layer development in these flowfields, to transform all data into various dimensionless parameters. These parameters were defined by previous attempts to correlate existing wind-tunnel data for transition on rough/blunt bodies.

Inverse correlation between quasiparticle mass and T c in a cuprate high-T c superconductor.

PubMed

Putzke, Carsten; Malone, Liam; Badoux, Sven; Vignolle, Baptiste; Vignolles, David; Tabis, Wojciech; Walmsley, Philip; Bird, Matthew; Hussey, Nigel E; Proust, Cyril; Carrington, Antony

2016-03-01

Close to a zero-temperature transition between ordered and disordered electronic phases, quantum fluctuations can lead to a strong enhancement of electron mass and to the emergence of competing phases such as superconductivity. A correlation between the existence of such a quantum phase transition and superconductivity is quite well established in some heavy fermion and iron-based superconductors, and there have been suggestions that high-temperature superconductivity in copper-oxide materials (cuprates) may also be driven by the same mechanism. Close to optimal doping, where the superconducting transition temperature T c is maximal in cuprates, two different phases are known to compete with superconductivity: a poorly understood pseudogap phase and a charge-ordered phase. Recent experiments have shown a strong increase in quasiparticle mass m* in the cuprate YBa2Cu3O7-δ as optimal doping is approached, suggesting that quantum fluctuations of the charge-ordered phase may be responsible for the high-T c superconductivity. We have tested the robustness of this correlation between m* and T c by performing quantum oscillation studies on the stoichiometric compound YBa2Cu4O8 under hydrostatic pressure. In contrast to the results for YBa2Cu3O7-δ, we find that in YBa2Cu4O8, the mass decreases as T c increases under pressure. This inverse correlation between m* and T c suggests that quantum fluctuations of the charge order enhance m* but do not enhance T c.

Inverse correlation between quasiparticle mass and Tc in a cuprate high-Tc superconductor

PubMed Central

Putzke, Carsten; Malone, Liam; Badoux, Sven; Vignolle, Baptiste; Vignolles, David; Tabis, Wojciech; Walmsley, Philip; Bird, Matthew; Hussey, Nigel E.; Proust, Cyril; Carrington, Antony

2016-01-01

Close to a zero-temperature transition between ordered and disordered electronic phases, quantum fluctuations can lead to a strong enhancement of electron mass and to the emergence of competing phases such as superconductivity. A correlation between the existence of such a quantum phase transition and superconductivity is quite well established in some heavy fermion and iron-based superconductors, and there have been suggestions that high-temperature superconductivity in copper-oxide materials (cuprates) may also be driven by the same mechanism. Close to optimal doping, where the superconducting transition temperature Tc is maximal in cuprates, two different phases are known to compete with superconductivity: a poorly understood pseudogap phase and a charge-ordered phase. Recent experiments have shown a strong increase in quasiparticle mass m* in the cuprate YBa2Cu3O7-δ as optimal doping is approached, suggesting that quantum fluctuations of the charge-ordered phase may be responsible for the high-Tc superconductivity. We have tested the robustness of this correlation between m* and Tc by performing quantum oscillation studies on the stoichiometric compound YBa2Cu4O8 under hydrostatic pressure. In contrast to the results for YBa2Cu3O7-δ, we find that in YBa2Cu4O8, the mass decreases as Tc increases under pressure. This inverse correlation between m* and Tc suggests that quantum fluctuations of the charge order enhance m* but do not enhance Tc. PMID:27034989

Weak-field ELF magnetic interactions: Implications for biological change during paleomagnetic reversals.

PubMed

Liboff, Abraham R

2013-12-01

Contrary to the belief that paleomagnetic reversals are not biologically significant, we find good reason to think otherwise. Attention is drawn to polarity transitions, time intervals a few thousand years long that follow the collapse of the existing geomagnetic dipole moment and precede the establishment of the new, oppositely directed moment. The geomagnetic field during transitions is reduced to a maximal mean intensity about 10% of the stable field and can exhibit low-frequency perturbations comparable to numerous laboratory-based extremely low frequency (ELF) studies reporting biological interactions, making it very likely that similar interactions must occur over the course of a polarity transition. This conclusion is strengthened by reports of medical problems that significantly correlate with intense solar winds, events that also generate ELF perturbations similar to those that can occur during polarity transitions.

Analysis of flow disturbance in a stenosed carotid artery bifurcation using two-equation transitional and turbulence models.

PubMed

Tan, F P P; Soloperto, G; Bashford, S; Wood, N B; Thom, S; Hughes, A; Xu, X Y

2008-12-01

In this study, newly developed two-equation turbulence models and transitional variants are employed for the prediction of blood flow patterns in a diseased carotid artery where the growth, progression, and structure of the plaque at rupture are closely linked to low and oscillating wall shear stresses. Moreover, the laminar-turbulent transition in the poststenotic zone can alter the separation zone length, wall shear stress, and pressure distribution over the plaque, with potential implications for stresses within the plaque. Following the validation with well established experimental measurements and numerical studies, a magnetic-resonance (MR) image-based model of the carotid bifurcation with 70% stenosis was reconstructed and simulated using realistic patient-specific conditions. Laminar flow, a correlation-based transitional version of Menter's hybrid k-epsilon/k-omega shear stress transport (SST) model and its "scale adaptive simulation" (SAS) variant were implemented in pulsatile simulations from which analyses of velocity profiles, wall shear stress, and turbulence intensity were conducted. In general, the transitional version of SST and its SAS variant are shown to give a better overall agreement than their standard counterparts with experimental data for pulsatile flow in an axisymmetric stenosed tube. For the patient-specific case reported, the wall shear stress analysis showed discernable differences between the laminar flow and SST transitional models but virtually no difference between the SST transitional model and its SAS variant.

Mapping the current–current correlation function near a quantum critical point

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

Prodan, Emil, E-mail: prodan@yu.edu; Bellissard, Jean

2016-05-15

The current–current correlation function is a useful concept in the theory of electron transport in homogeneous solids. The finite-temperature conductivity tensor as well as Anderson’s localization length can be computed entirely from this correlation function. Based on the critical behavior of these two physical quantities near the plateau–insulator or plateau–plateau transitions in the integer quantum Hall effect, we derive an asymptotic formula for the current–current correlation function, which enables us to make several theoretical predictions about its generic behavior. For the disordered Hofstadter model, we employ numerical simulations to map the current–current correlation function, obtain its asymptotic form near amore » critical point and confirm the theoretical predictions.« less

Orbital breathing effects in the computation of x-ray d -ion spectra in solids by ab initio wave-function-based methods

DOE PAGES

Bogdanov, Nikolay A.; Bisogni, Valentina; Kraus, Roberto; ...

2016-11-21

In existing theoretical approaches to core-level excitations of transition-metal ions in solids relaxation and polarization effects due to the inner core hole are often ignored or described phenomenologically. Here, we set up an ab initio computational scheme that explicitly accounts for such physics in the calculation of x-ray absorption and resonant inelastic x-ray scattering spectra. Good agreement is found with experimental transition-metal L-edge data for the strongly correlated d 9 cuprate Li 2CuO 2, for which we also determine the absolute scattering intensities. The newly developed methodology opens the way for the investigation of even more complex d n electronicmore » structures of group VI B to VIII B correlated oxide compounds.« less

Toward a Smartphone Application for Estimation of Pulse Transit Time

PubMed Central

Liu, He; Ivanov, Kamen; Wang, Yadong; Wang, Lei

2015-01-01

Pulse transit time (PTT) is an important physiological parameter that directly correlates with the elasticity and compliance of vascular walls and variations in blood pressure. This paper presents a PTT estimation method based on photoplethysmographic imaging (PPGi). The method utilizes two opposing cameras for simultaneous acquisition of PPGi waveform signals from the index fingertip and the forehead temple. An algorithm for the detection of maxima and minima in PPGi signals was developed, which includes technology for interpolation of the real positions of these points. We compared our PTT measurements with those obtained from the current methodological standards. Statistical results indicate that the PTT measured by our proposed method exhibits a good correlation with the established method. The proposed method is especially suitable for implementation in dual-camera-smartphones, which could facilitate PTT measurement among populations affected by cardiac complications. PMID:26516861

[Perinatal model of human transition from hypogravity to the earth's gravity based on the electromyogram nonlinear characteristics].

PubMed

Meĭgal, A Iu; Voroshilov, A S

2009-01-01

Interferential electromyogram (iEMG) was analyzed in healthy newborn infants (n=29) during the first 24 hours of life as a model of transition from hypogravity (intrauterine immersion) to the Earth's gravity (postnatal period). Nonlinear instruments of iEMG analysis (correlation dimension, entropy and fractal dimension) reflected the complexity, chaotic character and predictability of signals from the leg and arm antagonistic muscles. Except for m. gastrocnemius, in all other musles iEMG fractal dimension was shown to grow as the postnatal period extended. Low fractal and correlation dimensions and entropy marked flexor muscles, particularly against low iEMG amplitude suggesting a better congenital programming for the flexors as compared to the extensors. It is concluded that the early ontogenesis model can be practicable in studying the evolution and states of antigravity functions.

Toward a Smartphone Application for Estimation of Pulse Transit Time.

PubMed

Liu, He; Ivanov, Kamen; Wang, Yadong; Wang, Lei

2015-10-27

Pulse transit time (PTT) is an important physiological parameter that directly correlates with the elasticity and compliance of vascular walls and variations in blood pressure. This paper presents a PTT estimation method based on photoplethysmographic imaging (PPGi). The method utilizes two opposing cameras for simultaneous acquisition of PPGi waveform signals from the index fingertip and the forehead temple. An algorithm for the detection of maxima and minima in PPGi signals was developed, which includes technology for interpolation of the real positions of these points. We compared our PTT measurements with those obtained from the current methodological standards. Statistical results indicate that the PTT measured by our proposed method exhibits a good correlation with the established method. The proposed method is especially suitable for implementation in dual-camera-smartphones, which could facilitate PTT measurement among populations affected by cardiac complications.

``Making the Molecular Movie'': First Frames

NASA Astrophysics Data System (ADS)

Miller, R. J. Dwayne

2011-03-01

Femtosecond Electron Diffraction has enabled atomic resolution to structural changes as they occur, essentially watching atoms move in real time--directly observe transition states. This experiment has been referred to as ``making the molecular movie'' and has been previously discussed in the context of a gedanken experiment. With the recent development of femtosecond electron pulses with sufficient number density to execute single shot structure determinations, this experiment has been finally realized. A new concept in electron pulse generation was developed based on a solution to the N-body electron propagation problem involving up to 10,000 interacting electrons that has led to a new generation of extremely bright electron pulsed sources that minimizes space charge broadening effects. Previously thought intractable problems of determining t=0 and fully characterizing electron pulses on the femtosecond time scale have now been solved through the use of the laser pondermotive potential to provide a time dependent scattering source. Synchronization of electron probe and laser excitation pulses is now possible with an accuracy of 10 femtoseconds to follow even the fastest nuclear motions. The camera for the ``molecular movie'' is well in hand based on high bunch charge electron sources. Several movies depicting atomic motions during passage through structural transitions will be shown. Atomic level views of the simplest possible structural transition, melting, will be presented for a number of systems in which both thermal and purely electronically driven atomic displacements can be correlated to the degree of directional bonding. Optical manipulation of charge distributions and effects on interatomic forces/bonding can be directly observed through the ensuing atomic motions. New phenomena involving strongly correlated electron systems will be presented in which an exceptionally cooperative phase transitions has been observed. The primitive origin of molecular cooperativity has also been discovered in recent studies of molecular crystals. These new developments will be discussed in the context of developing the necessary technology to directly observe the structure-function correlation in biomolecules--the fundamental molecular basis of biological systems.

Role of cooperative structural distortions in the metal--insulator transitions of perovskite ferrates

NASA Astrophysics Data System (ADS)

Cammarata, Antonio; Rondinelli, James

2012-02-01

Transition-metal oxides within the perovskite crystal family exhibit strong electron--electron correlation effects that coexist with complex structural distortions, leading to metal-insulator (MI) transitions. Using first-principles density functional calculations, we investigate the effects of cooperative octahedral rotations and dilations/contractions on the charge-ordering MI-transition in CaFeO3. By calculating the evolution in the lattice phonons, which describe the different octahedral distortions present in the low-symmetry monoclinic phase of CaFeO3 with increasing electron correlation, we show that the MI-transition results from a complex interplay between these modes and correlation effects. We combine this study with group theoretical tools to disentangle the electron--lattice interactions by computing the evolution in the low-energy electronic band structure with the lattice phonons, demonstrating the MI-transition in CaFeO3 proceeds through a symmetry-lowering transition driven by a cooperative three-dimensional octahedral dilation/contraction pattern. Finally, we suggest a possible route by which to control the charge ordering by fine-tuning the electron--lattice coupling.

The self-trapping transition in the non-half-filled strongly correlated extended Holstein-Hubbard model in two-dimensions

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

Sankar, I. V., E-mail: ivshankar27@gmail.com; Chatterjee, Ashok, E-mail: ivshankar27@gmail.com

2014-04-24

The two-dimensional extended Holstein-Hubbard model (EHH) has been considered at strong correlation regime in the non-half-filled band case to understand the self-trapping transition of electrons in strongly correlated electron system. We have used the method of optimized canonical transformations to transform an EHH model into an effective extended Hubbard (EEH) model. In the strong on-site correlation limit an EH model can be transformed into a t-J model which is finally solved using Hartree-Fock approximation (HFA). We found that, for non-half-filled band case, the transition is abrupt in the adiabatic region whereas it is continuous in the anti-adiabatic region.

The Early to Middle Triassic continental-marine transition of NW Bulgaria: sedimentology, palynology and sequence stratigraphy

NASA Astrophysics Data System (ADS)

Ajdanlijsky, George; Götz, Annette E.; Strasser, André

2018-04-01

Sedimentary facies and cycles of the Triassic continental-marine transition of NW Bulgaria are documented in detail from reference sections along the Iskar river gorge between the villages of Tserovo and Opletnya. The depositional environments evolved from anastomosing and meandering river systems in the Petrohan Terrigenous Group to mixed fluvial and tidal settings in the Svidol Formation, and to peritidal and shallow-marine conditions in the Opletnya Member of the Mogila Formation. For the first time, the palynostratigraphic data presented here allow for dating the transitional interval and for the precise identification of a major sequence boundary between the Petrohan Terrigenous Group and the Svidol Formation (Iskar Carbonate Group). This boundary most probably corresponds to the major sequence boundary Ol4 occurring in the upper Olenekian of the Tethyan realm and thus enables interregional correlation. The identification of regionally traceable sequence boundaries based on biostratigraphic age control is a first step towards a more accurate stratigraphic correlation and palaeogeographic interpretation of the Early to early Middle Triassic in NW Bulgaria.

Correlation and nonlocality measures as indicators of quantum phase transitions in several critical systems

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

Altintas, Ferdi, E-mail: ferdialtintas@ibu.edu.tr; Eryigit, Resul, E-mail: resul@ibu.edu.tr

2012-12-15

We have investigated the quantum phase transitions in the ground states of several critical systems, including transverse field Ising and XY models as well as XY with multiple spin interactions, XXZ and the collective system Lipkin-Meshkov-Glick models, by using different quantumness measures, such as entanglement of formation, quantum discord, as well as its classical counterpart, measurement-induced disturbance and the Clauser-Horne-Shimony-Holt-Bell function. Measurement-induced disturbance is found to detect the first and second order phase transitions present in these critical systems, while, surprisingly, it is found to fail to signal the infinite-order phase transition present in the XXZ model. Remarkably, the Clauser-Horne-Shimony-Holt-Bellmore » function is found to detect all the phase transitions, even when quantum and classical correlations are zero for the relevant ground state. - Highlights: Black-Right-Pointing-Pointer The ability of correlation measures to detect quantum phase transitions has been studied. Black-Right-Pointing-Pointer Measurement induced disturbance fails to detect the infinite order phase transition. Black-Right-Pointing-Pointer CHSH-Bell function detects all phase transitions even when the bipartite density matrix is uncorrelated.« less

A Local Quantum Phase Transition in YFe 2Al 10

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

Gannon, W J.; Zaliznyak, Igor A.; Wu, L. S.

Here, a phase transition occurs when correlated regions of a new phase grow to span the system and the fluctuations within the correlated regions become long-lived. Here we present neutron scattering measurements showing that this conventional picture must be replaced by a new paradigm in YFe 2Al 10, a compound that forms naturally very close to a T = 0 quantum phase transition. Fully quantum mechanical fluctuations of localized moments are found to diverge at low energies and temperatures, however the fluctuating moments are entirely without spatial correlations. Zero temperature order in YFe 2Al 10 is achieved by a newmore » and entirely local type of quantum phase transition that may originate with the creation of the moments themselves.« less

A Local Quantum Phase Transition in YFe 2Al 10

DOE PAGES

Gannon, W J.; Zaliznyak, Igor A.; Wu, L. S.; ...

2018-06-29

Here, a phase transition occurs when correlated regions of a new phase grow to span the system and the fluctuations within the correlated regions become long-lived. Here we present neutron scattering measurements showing that this conventional picture must be replaced by a new paradigm in YFe 2Al 10, a compound that forms naturally very close to a T = 0 quantum phase transition. Fully quantum mechanical fluctuations of localized moments are found to diverge at low energies and temperatures, however the fluctuating moments are entirely without spatial correlations. Zero temperature order in YFe 2Al 10 is achieved by a newmore » and entirely local type of quantum phase transition that may originate with the creation of the moments themselves.« less

Incongruity between Affinity Patterns Based on Mandibular and Lower Dental Dimensions following the Transition to Agriculture in the Near East, Anatolia and Europe

PubMed Central

Pinhasi, Ron; Eshed, Vered; von Cramon-Taubadel, Noreen

2015-01-01

While it has been suggested that malocclusion is linked with urbanisation, it remains unclear as to whether its high prevalence began 8,000 years earlier concomitant with the transition to agriculture. Here we investigate the extent to which patterns of affinity (i.e., among-population distances), based on mandibular form and dental dimensions, respectively, match across Epipalaeolithic, Mesolithic, and Neolithic samples from the Near East/Anatolia and Europe. Analyses were conducted using morphological distance matrices reflecting dental and mandibular form for the same 292 individuals across 21 archaeological populations. Thereafter, statistical analyses were undertaken on four sample aggregates defined on the basis of their subsistence strategy, geography, and chronology to test for potential differences in dental and mandibular form across and within groups. Results show a clear separation based on mandibular morphology between European hunter-gatherers, European farmers, and Near Eastern transitional farmers and semi-sedentary hunter-gatherers. In contrast, the dental dimensions show no such pattern and no clear association between the position of samples and their temporal or geographic attributes. Although later farming groups have, on average, smaller teeth and mandibles, shape analyses show that the mandibles of farmers are not simply size-reduced versions of earlier hunter-gatherer mandibles. Instead, it appears that mandibular form underwent a complex series of shape changes commensurate with the transition to agriculture that are not reflected in affinity patterns based on dental dimensions. In the case of hunter-gatherers there is a correlation between inter-individual mandibular and dental distances, suggesting an equilibrium between these two closely associated morphological units. However, in the case of semi-sedentary hunter-gatherers and farming groups, no such correlation was found, suggesting that the incongruity between dental and mandibular form began with the shift towards sedentism and agricultural subsistence practices in the core region of the Near East and Anatolia. PMID:25651540

Structure of public transit costs in the presence of multiple serial correlation

DOT National Transportation Integrated Search

1999-12-01

Most studies indicate that public transit systems operate under increasing returns to capital stock utilization and are significantly overcapitalized. Existing flexible form time series analyses, however, fail to correct for serial correlation. In th...

Theoretical Analysis of Competing Conformational Transitions in Superhelical DNA

PubMed Central

Zhabinskaya, Dina; Benham, Craig J.

2012-01-01

We develop a statistical mechanical model to analyze the competitive behavior of transitions to multiple alternate conformations in a negatively supercoiled DNA molecule of kilobase length and specified base sequence. Since DNA superhelicity topologically couples together the transition behaviors of all base pairs, a unified model is required to analyze all the transitions to which the DNA sequence is susceptible. Here we present a first model of this type. Our numerical approach generalizes the strategy of previously developed algorithms, which studied superhelical transitions to a single alternate conformation. We apply our multi-state model to study the competition between strand separation and B-Z transitions in superhelical DNA. We show this competition to be highly sensitive to temperature and to the imposed level of supercoiling. Comparison of our results with experimental data shows that, when the energetics appropriate to the experimental conditions are used, the competition between these two transitions is accurately captured by our algorithm. We analyze the superhelical competition between B-Z transitions and denaturation around the c-myc oncogene, where both transitions are known to occur when this gene is transcribing. We apply our model to explore the correlation between stress-induced transitions and transcriptional activity in various organisms. In higher eukaryotes we find a strong enhancement of Z-forming regions immediately 5′ to their transcription start sites (TSS), and a depletion of strand separating sites in a broad region around the TSS. The opposite patterns occur around transcript end locations. We also show that susceptibility to each type of transition is different in eukaryotes and prokaryotes. By analyzing a set of untranscribed pseudogenes we show that the Z-susceptibility just downstream of the TSS is not preserved, suggesting it may be under selection pressure. PMID:22570598

Nonlinear Dynamics of the Superfluid Transition: What may We learn on orbit?

NASA Technical Reports Server (NTRS)

Duncan, Rob

2003-01-01

Linear response (specifically, Fourier's Law) in He-4 has been observed to fail in heat flow experiments near the superfluid transition. A detailed analysis of the data suggests that the hydrostatic pressure gradient across the helium column limits the divergence of the correlation length in our earth-based experiments. This is consistent with other observations, such as the surprising lack of mutual friction and hysteresis near the superfluid transition, and a 'rounding' of the transition that appears to be independent of heat flux in the low heat flux limit. I will discuss these unusual results from earth-based measurements, and will show predictions for the very different results that may result when we make our measurements on orbit as part of the M1 Mission of the Low- Temperature, Microgravity Physics Facility. This work has been funded by the Fundamental Physics Discipline within the Physical Sciences Research Office of NASA, and is conducted by the DYNAMX (UNM) and CQ (Caltech) Groups, with assistance from the Low Temperature Science and Quantum Sensors Group at JPL.

On the abnormal "forced hydration" behavior of P(MEA-co-OEGA) aqueous solutions during phase transition from infrared spectroscopic insights.

PubMed

Hou, Lei; Wu, Peiyi

2016-06-21

Turbidity, DLS and FTIR measurements in combination with the perturbation correlation moving window (PCMW) technique and 2D correlation spectroscopy (2Dcos) analysis have been utilized to investigate the LCST-type transition of a oligo ethylene glycol acrylate-based copolymer (POEGA) in aqueous solutions in this work. As demonstrated in turbidity and DLS curves, the macroscopic phase separation was sharp and slightly concentration dependent. Moreover, individual chemical groups along polymer chains also display abrupt changes in temperature-variable IR spectra. However, according to conventional IR analysis, the C-H groups present obvious dehydration, whereas C[double bond, length as m-dash]O and C-O-C groups exhibit anomalous "forced hydration" during the steep phase transition. From these analyses together with the PCMW and 2Dcos results, it has been confirmed that the hydrophobic interaction among polymer chains drove the chain collapse and dominated the phase transition. In addition, the unexpected enhanced hydration behavior of C[double bond, length as m-dash]O and C-O-C groups was induced by forced hydrogen bonding between polar groups along polymer chains and entrapped water molecules in the aggregates, which originated from the special chemical structure of POEGA.

Preserved Entropy, quantum criticality and fragile magnetism

NASA Astrophysics Data System (ADS)

Canfield, Paul

A large swath of strongly correlated electron systems can be associated with the phenomenon of preserved entropy and fragile magnetism. In this talk I will present our thoughts and plans for the discovery and development of lanthanide and transition metal based, strongly correlated systems that are revealed by suppressed, fragile magnetism or grow out of preserved entropy. This talk is based on work published in This work was supported by the U.S. Dept. of Energy, Basic Energy Science, Division of Materials Sciences and Engineering under Contract No. DE-AC02-07CH11358 as well as by the Gordon and Betty Moore Foundations EPiQS Initiative through Grant GBMF4411.

Spectral regression and correlation coefficients of some benzaldimines and salicylaldimines in different solvents

NASA Astrophysics Data System (ADS)

Hammud, Hassan H.; Ghannoum, Amer; Masoud, Mamdouh S.

2006-02-01

Sixteen Schiff bases obtained from the condensation of benzaldehyde or salicylaldehyde with various amines (aniline, 4-carboxyaniline, phenylhydrazine, 2,4-dinitrophenylhydrazine, ethylenediamine, hydrazine, o-phenylenediamine and 2,6-pyridinediamine) are studied with UV-vis spectroscopy to observe the effect of solvents, substituents and other structural factors on the spectra. The bands involving different electronic transitions are interpreted. Computerized analysis and multiple regression techniques were applied to calculate the regression and correlation coefficients based on the equation that relates peak position λmax to the solvent parameters that depend on the H-bonding ability, refractive index and dielectric constant of solvents.

Coulomb correlations in 4d and 5d oxides from first principles—or how spin-orbit materials choose their effective orbital degeneracies

NASA Astrophysics Data System (ADS)

Martins, C.; Aichhorn, M.; Biermann, S.

2017-07-01

The interplay of spin-orbit coupling and Coulomb correlations has become a hot topic in condensed matter theory and is especially important in 4d and 5d transition metal oxides, like iridates or rhodates. Here, we review recent advances in dynamical mean-field theory (DMFT)-based electronic structure calculations for treating such compounds, introducing all necessary implementation details. We also discuss the evaluation of Hubbard interactions in spin-orbit materials. As an example, we perform DMFT calculations on insulating strontium iridate (Sr2IrO4) and its 4d metallic counterpart, strontium rhodate (Sr2RhO4). While a Mott-insulating state is obtained for Sr2IrO4 in its paramagnetic phase, the spectral properties and Fermi surfaces obtained for Sr2RhO4 show excellent agreement with available experimental data. Finally, we discuss the electronic structure of these two compounds by introducing the notion of effective spin-orbital degeneracy as the key quantity that determines the correlation strength. We stress that effective spin-orbital degeneracy introduces an additional axis into the conventional picture of a phase diagram based on filling and on the ratio of interactions to bandwidth, analogous to the degeneracy-controlled Mott transition in d1 perovskites.

Coulomb correlations in 4d and 5d oxides from first principles-or how spin-orbit materials choose their effective orbital degeneracies.

PubMed

Martins, C; Aichhorn, M; Biermann, S

2017-07-05

The interplay of spin-orbit coupling and Coulomb correlations has become a hot topic in condensed matter theory and is especially important in 4d and 5d transition metal oxides, like iridates or rhodates. Here, we review recent advances in dynamical mean-field theory (DMFT)-based electronic structure calculations for treating such compounds, introducing all necessary implementation details. We also discuss the evaluation of Hubbard interactions in spin-orbit materials. As an example, we perform DMFT calculations on insulating strontium iridate (Sr 2 IrO 4 ) and its 4d metallic counterpart, strontium rhodate (Sr 2 RhO 4 ). While a Mott-insulating state is obtained for Sr 2 IrO 4 in its paramagnetic phase, the spectral properties and Fermi surfaces obtained for Sr 2 RhO 4 show excellent agreement with available experimental data. Finally, we discuss the electronic structure of these two compounds by introducing the notion of effective spin-orbital degeneracy as the key quantity that determines the correlation strength. We stress that effective spin-orbital degeneracy introduces an additional axis into the conventional picture of a phase diagram based on filling and on the ratio of interactions to bandwidth, analogous to the degeneracy-controlled Mott transition in d 1 perovskites.

The Effect of Velocity Correlation on the Spatial Evolution of Breakthrough Curves in Heterogeneous Media

NASA Astrophysics Data System (ADS)

Massoudieh, A.; Dentz, M.; Le Borgne, T.

2017-12-01

In heterogeneous media, the velocity distribution and the spatial correlation structure of velocity for solute particles determine the breakthrough curves and how they evolve as one moves away from the solute source. The ability to predict such evolution can help relating the spatio-statistical hydraulic properties of the media to the transport behavior and travel time distributions. While commonly used non-local transport models such as anomalous dispersion and classical continuous time random walk (CTRW) can reproduce breakthrough curve successfully by adjusting the model parameter values, they lack the ability to relate model parameters to the spatio-statistical properties of the media. This in turns limits the transferability of these models. In the research to be presented, we express concentration or flux of solutes as a distribution over their velocity. We then derive an integrodifferential equation that governs the evolution of the particle distribution over velocity at given times and locations for a particle ensemble, based on a presumed velocity correlation structure and an ergodic cross-sectional velocity distribution. This way, the spatial evolution of breakthrough curves away from the source is predicted based on cross-sectional velocity distribution and the connectivity, which is expressed by the velocity transition probability density. The transition probability is specified via a copula function that can help construct a joint distribution with a given correlation and given marginal velocities. Using this approach, we analyze the breakthrough curves depending on the velocity distribution and correlation properties. The model shows how the solute transport behavior evolves from ballistic transport at small spatial scales to Fickian dispersion at large length scales relative to the velocity correlation length.

Prediction of beta-turns in proteins using the first-order Markov models.

PubMed

Lin, Thy-Hou; Wang, Ging-Ming; Wang, Yen-Tseng

2002-01-01

We present a method based on the first-order Markov models for predicting simple beta-turns and loops containing multiple turns in proteins. Sequences of 338 proteins in a database are divided using the published turn criteria into the following three regions, namely, the turn, the boundary, and the nonturn ones. A transition probability matrix is constructed for either the turn or the nonturn region using the weighted transition probabilities computed for dipeptides identified from each region. There are two such matrices constructed for the boundary region since the transition probabilities for dipeptides immediately preceding or following a turn are different. The window used for scanning a protein sequence from amino (N-) to carboxyl (C-) terminal is a hexapeptide since the transition probability computed for a turn tetrapeptide is capped at both the N- and C- termini with a boundary transition probability indexed respectively from the two boundary transition matrices. A sum of the averaged product of the transition probabilities of all the hexapeptides involving each residue is computed. This is then weighted with a probability computed from assuming that all the hexapeptides are from the nonturn region to give the final prediction quantity. Both simple beta-turns and loops containing multiple turns in a protein are then identified by the rising of the prediction quantity computed. The performance of the prediction scheme or the percentage (%) of correct prediction is evaluated through computation of Matthews correlation coefficients for each protein predicted. It is found that the prediction method is capable of giving prediction results with better correlation between the percent of correct prediction and the Matthews correlation coefficients for a group of test proteins as compared with those predicted using some secondary structural prediction methods. The prediction accuracy for about 40% of proteins in the database or 50% of proteins in the test set is better than 70%. Such a percentage for the test set is reduced to 30 if the structures of all the proteins in the set are treated as unknown.

Detectability of exoplanet transits with Athena's WFI instrument: testing for white and correlated noise

NASA Astrophysics Data System (ADS)

Carpano, Stefania; Wilms, Jörn; Rau, Arne

2016-07-01

One of the science goal of the Athena mission is to detect and characterise, in the X-ray domain, transits of hot Jupiter-like planets orbiting their parent stars. To date, the only candidate for this kind of studies is HD 189733b, a Jupiter-size planet in a 2d orbit, for which a transit depth of 6-8% has been observed accumulating several Chandra and XMM-Newton observations. We simulate in this work realistic light curves of exoplanet transits using the Athena end-to-end simulator, SIXTE, and derive the expected signal-to-noise ratios (SNR) for different instrument configurations and planetary system parameters. We first produce at light curves for the currently existing WFI instrument designs and for different source fluxes to extract the expected (white noise) standard deviation. Next, moderate levels of correlated noise and transits of different depths are added to the light curves. As expected, for pure white noise the SNR is proportional to the square root of the flux, to the light curve bin size and to the number of co-added transits, and by definition proportional to the transit depth. When correlated noise starts to be significant, rebinning the data will only slightly increase the SNR, depending on the noise characteristics. Considering only white noise, a transit observed in a source like HD 189733, that has a flux around 5x10-13 erg s-1 cm-2 and a transit depth of about 5% can be detected with a SNR>3 in a unique transit. With correlated noise, several transits might be necessary. We also simulate trapezoidal shaped transits and try to recover the ingress/egress times after addition of noise. The relative error on the fitted ingress times is below 10% for most of the light curves with SNR>1.

Theoretical study of the hyperfine-interaction constants and the isotope-shift factors for the 3 s21S0-3 s 3 p 3,1P1o transitions in Al+

NASA Astrophysics Data System (ADS)

Zhang, Tingxian; Xie, Luyou; Li, Jiguang; Lu, Zehuang

2017-07-01

We calculated the magnetic dipole and the electric quadrupole hyperfine interaction constants of 3 s 3 p 3,1P1o states and the isotope shift, including mass and field shift, factors for transitions from these two states to the ground state 3 s 2 1S0 in Al+ ions using the multiconfiguration Dirac-Hartree-Fock method. The effects of the electron correlations and the Breit interaction on these physical quantities were investigated in detail based on the active space approach. It is found that the core-core and the higher order correlations are considerable for evaluating the uncertainties of the atomic parameters concerned. The uncertainties of the hyperfine interaction constants in this work are less than 1.6%. Although the isotope shift factors are highly sensitive to the electron correlations, reasonable uncertainties were obtained by exploring the effects of the electron correlations. Moreover, we found that the relativistic nuclear recoil corrections to the mass shift factors are very small and insensitive to the electron correlations for Al+. These atomic parameters present in this work are valuable for extracting the nuclear electric quadrupole moments and the mean-square charge radii of Al isotopes.

Photo-induced Low Temperature Structural Transition in the "114" YbaFe 4O 7 oxide

DOE PAGES

Duffort, V.; Caignaert, Vincent; Pralong, V.; ...

2013-11-11

Synchrotron irradiation of the oxide YBaFe 4O 7.0 below 190 K converts the low temperature monoclinic structure to a higher symmetry tetragonal form analogous to the room temperature structure. This photo-induced metastable tetragonal form is stable even in the absence of irradiation over the range 4-60 K, however, above 60 K the photo-transition is reversible. These structural phenomena are correlated to the magnetic behaviour of this system, suggesting possible spin-lattice coupling. Lastly, a scenario explaining the low temperature photo-induced transition is proposed, based on the different distributions of the valence electrons in the iron sub-lattice of the monoclinic and tetragonalmore » phases.« less

Dielectric response to the low-temperature magnetic defect structure and spin state transition in polycrystalline LaCoO3

NASA Astrophysics Data System (ADS)

Schmidt, Rainer; Wu, J.; Leighton, C.; Terry, I.

2009-03-01

The dielectric and magnetic properties and their correlations were investigated in polycrystalline perovskite LaCoO3-δ . The intrinsic bulk and grain-boundary (GB) dielectric relaxation processes were deconvoluted using impedance spectroscopy between 20 and 120 K, and resistivity and capacitance were analyzed separately. A thermally induced magnetic transition from a Co3+ low-spin (LS) (S=0;t2g6eg0) to a higher spin state occurs at Ts1≈80K , which is controversial in nature and has been suggested to be an intermediate-spin (IS) state (S=1;t2g5eg1) or a high-spin (HS) state (S=2;t2g4eg2) transition. This spin state transition was confirmed by magnetic-susceptibility measurements and was reflected in the impedance by a split of the single GB relaxation process into two coexisting contributions. This apparent electronic phase coexistence at T>80K was interpreted as a reflection of the coexistence of magnetic LS and IS/HS states. At lower temperatures (T≤40K) perceptible variation in bulk dielectric permittivity with temperature appeared to be correlated with the magnetic susceptibility associated with a magnetic defect structure. At 40K

Influence of Pt substitution on magnetic properties of multipolar ordering compounds Ce(Pd,Pt)3S4

NASA Astrophysics Data System (ADS)

Michimura, S.; Nishikawa, Ushio; Shimizu, Akihide; Kosaka, Masashi; Numakura, Ryosuke; Iizuka, Ryosuke; Katano, Susumu

2018-05-01

We have studied the magnetic properties of the multipolar ordering compounds Ce(Pd1-xPtx) 3S4 with 0.00 ≤ x ≤ 0.53 by means of magnetic susceptibility and magnetization measurements. In CePd3S4 , a simultaneous phase transition of the antiferro quadrupolar (AFQ) ordering and ferro magnetic (FM) ordering has been observed at 6.3 K. It has been suggested that the primary order parameter of CePd3S4 is the quadrupole moments, and it has not been understood why the FM ordering occurs at very high temperature which is almost the same magnetic transition temperature of GdPd3S4 . GdPd3S4 shows an antiferromagnetic (AFM) transition at 5.8 K. With increasing Pt substitution in CePd3S4 , the FM transition temperature TC (x) is rapidly suppressed to 2.4 K for x ≃ 0.3 and approaches asymptotically to 1.9 K (x = 0.53) . The results of magnetization curve suggest that the ordered state below TC (x) remains FM and AFQ ordered state for the whole range of x. For x ≥ 0.29 , TC (x) reaches at around 2 K, a new AFM transition was observed at TN (x) ≃ 7 K . We determined the T - x phase diagram, and discuss the phase transitions at TC (x) and TN (x) . The results suggest the possibility of the presence of the correlation between the magnetic interaction and the quadrupole interaction, and the correlation is not understood based on the previous multipolar model.

Lubiprostone Accelerates Intestinal Transit and Alleviates Small Intestinal Bacterial Overgrowth in Patients With Chronic Constipation.

PubMed

Sarosiek, Irene; Bashashati, Mohammad; Alvarez, Alicia; Hall, Mark; Shankar, Nagasri; Gomez, Yvette; McCallum, Richard W; Sarosiek, Jerzy

2016-09-01

Lubiprostone is an effective treatment for chronic constipation (CC). The mechanism of action of lubiprostone is through increasing fluid secretion and lubrication of the intestinal lumen. The effects of lubiprostone on gastrointestinal transit and small intestinal bacterial overgrowth (SIBO) have not been adequately explored. The current study was designed to investigate whether lubiprostone (1) alters gastrointestinal transit and (2) affects SIBO in patients with constipation. A total of 29 female patients (mean age = 39 years; range: 19-64) with CC received 2 weeks of lubiprostone (24mcg b.i.d., P.O.). Stool consistency based on Bristol stool scale and the frequency of bowel movements (BMs) were recorded. Gastric emptying time, small bowel transit time, colon transit time (CTT), combined small and large bowel transit time (SLBTT) and whole gut transit time were measured using wireless motility capsule. The SIBO status was assessed by the lactulose breath test. Data were analyzed using Wilcoxon rank, Mann-Whitney U, Spearman׳s rank correlation and Chi-square tests. Lubiprostone significantly softened the stool and increased the frequency of BM from median of 2 to 4times per week. The CTT and SLBTT were significantly shorter in responders to lubiprostone (i.e., those with ≥ 2 times increase in the number of their weekly BM) compared with nonresponders. The higher frequency of BM after treatment was significantly correlated with the acceleration of CTT, SLBTT and whole gut transit time. In all, 17 out of 25 (68%) patients, who were tested for SIBO at baseline, were positive. In addition, 7 out of 17 (41%) SIBO-positive patients became SIBO-negative after lubiprostone treatment (P < 0.05). In CC, lubiprostone improves the frequency of BMs, softens the stool, accelerates intestinal transit and decreases accompanying SIBO. The improvement of SIBO could be explained by the cleansing effect of increased intestinal fluid and mucus combined with enhanced intestinal motility with lubiprostone. Copyright © 2016 Southern Society for Clinical Investigation. Published by Elsevier Inc. All rights reserved.

Correlations of norbornenyl crosslinked polyimide resin structures with resin thermo-oxidative stability, resin glass transition temperature and composite initial mechanical properties

NASA Technical Reports Server (NTRS)

Alston, William B.

1988-01-01

PMR (polymerization of monomeric reactants) methodology was used to prepare 70 different polyimide oligomeric resins and 30 different unidirectional graphite fiber/polyimide composites. Monomeric composition as well as chain length between sites of crosslinks were varied to examine their effects on resin thermo-oxidative stability and glass transition temperature (Tg) of the cured/postcured resins. A linear correlation of decreasing 316 C resin weight loss/surface area versus (1) decreasing aliphatic content, or (2) increasing benzylic/aliphatic content stoichiometry ratio over a wide range of resin compositions was observed. An almost linear correlation of Tg versus molecular distance between the crosslinks was also observed. An attempt was made to correlate Tg with initial composite mechanical properties (flexural strength and interlaminar shear strength). However, the scatter in mechanical strength data prevented obtaining a clear correlation. Instead, only a range of composite mechanical properties was obtained at 25, 288, and 316 C. Perhaps more importantly, what did become apparent during the correlation study was (1) the PMR methodology could be used to prepare composites from resins containing a wide variety of monomer modifications, (2) that these composites almost invariably provided satisfactory initial mechanical properties as long as the resins formulated exhibited satisfactory processing flow, and (3) that PMR resins exhibited predictable rates of 316 C weight loss/surface area based on their benzylic/aliphatic stoichiometery ratio.

H4: A challenging system for natural orbital functional approximations

NASA Astrophysics Data System (ADS)

Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

2015-10-01

The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D2h to D4h symmetry in H4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H4 D4h/D2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D2h-D4h transition of H4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices.

Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn–Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals?

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

Xu, Xuefei; Zhang, Wenjing; Tang, Mingsheng

2015-05-12

Coupled-cluster (CC) methods have been extensively used as the high-level approach in quantum electronic structure theory to predict various properties of molecules when experimental results are unavailable. It is often assumed that CC methods, if they include at least up to connected-triple-excitation quasiperturbative corrections to a full treatment of single and double excitations (in particular, CCSD(T)), and a very large basis set, are more accurate than Kohn–Sham (KS) density functional theory (DFT). In the present work, we tested and compared the performance of standard CC and KS methods on bond energy calculations of 20 3d transition metal-containing diatomic molecules againstmore » the most reliable experimental data available, as collected in a database called 3dMLBE20. It is found that, although the CCSD(T) and higher levels CC methods have mean unsigned deviations from experiment that are smaller than most exchange-correlation functionals for metal–ligand bond energies of transition metals, the improvement is less than one standard deviation of the mean unsigned deviation. Furthermore, on average, almost half of the 42 exchange-correlation functionals that we tested are closer to experiment than CCSD(T) with the same extended basis set for the same molecule. The results show that, when both relativistic and core–valence correlation effects are considered, even the very high-level (expensive) CC method with single, double, triple, and perturbative quadruple cluster operators, namely, CCSDT(2)Q, averaged over 20 bond energies, gives a mean unsigned deviation (MUD(20) = 4.7 kcal/mol when one correlates only valence, 3p, and 3s electrons of transition metals and only valence electrons of ligands, or 4.6 kcal/mol when one correlates all core electrons except for 1s shells of transition metals, S, and Cl); and that is similar to some good xc functionals (e.g., B97-1 (MUD(20) = 4.5 kcal/mol) and PW6B95 (MUD(20) = 4.9 kcal/mol)) when the same basis set is used. We found that, for both coupled cluster calculations and KS calculations, the T1 diagnostics correlate the errors better than either the M diagnostics or the B1 DFT-based diagnostics. The potential use of practical standard CC methods as a benchmark theory is further confounded by the finding that CC and DFT methods usually have different signs of the error. We conclude that the available experimental data do not provide a justification for using conventional single-reference CC theory calculations to validate or test xc functionals for systems involving 3d transition metals.« less

Synthesis of Long-Chain-Branched (LCB) Polysulfones for Multifunctional Transport Membranes

DTIC Science & Technology

2010-09-01

R.; Dutta, N. K. Interfacial Interactions in Aprotic Ionic Liquid Based Protonic Membrane and Its Correlation with High Temperature Conductivity...rigidity. The series of novel polymers was characterized for chemical structure, thermal transitions, and molecular weight. Ionic conductivity was tested...Although much progress exists based on perfluorosulfonated platforms ( Nafion , σ ≈ 10-1 – 10-2 S/cm) new and more complicated parameters arise as

Calibration of the 7—Equation Transition Model for High Reynolds Flows at Low Mach

NASA Astrophysics Data System (ADS)

Colonia, S.; Leble, V.; Steijl, R.; Barakos, G.

2016-09-01

The numerical simulation of flows over large-scale wind turbine blades without considering the transition from laminar to fully turbulent flow may result in incorrect estimates of the blade loads and performance. Thanks to its relative simplicity and promising results, the Local-Correlation based Transition Modelling concept represents a valid way to include transitional effects into practical CFD simulations. However, the model involves coefficients that need tuning. In this paper, the γ—equation transition model is assessed and calibrated, for a wide range of Reynolds numbers at low Mach, as needed for wind turbine applications. An aerofoil is used to evaluate the original model and calibrate it; while a large scale wind turbine blade is employed to show that the calibrated model can lead to reliable solutions for complex three-dimensional flows. The calibrated model shows promising results for both two-dimensional and three-dimensional flows, even if cross-flow instabilities are neglected.

Validation of a scenario-based assessment of critical thinking using an externally validated tool.

PubMed

Buur, Jennifer L; Schmidt, Peggy; Smylie, Dean; Irizarry, Kris; Crocker, Carlos; Tyler, John; Barr, Margaret

2012-01-01

With medical education transitioning from knowledge-based curricula to competency-based curricula, critical thinking skills have emerged as a major competency. While there are validated external instruments for assessing critical thinking, many educators have created their own custom assessments of critical thinking. However, the face validity of these assessments has not been challenged. The purpose of this study was to compare results from a custom assessment of critical thinking with the results from a validated external instrument of critical thinking. Students from the College of Veterinary Medicine at Western University of Health Sciences were administered a custom assessment of critical thinking (ACT) examination and the externally validated instrument, California Critical Thinking Skills Test (CCTST), in the spring of 2011. Total scores and sub-scores from each exam were analyzed for significant correlations using Pearson correlation coefficients. Significant correlations between ACT Blooms 2 and deductive reasoning and total ACT score and deductive reasoning were demonstrated with correlation coefficients of 0.24 and 0.22, respectively. No other statistically significant correlations were found. The lack of significant correlation between the two examinations illustrates the need in medical education to externally validate internal custom assessments. Ultimately, the development and validation of custom assessments of non-knowledge-based competencies will produce higher quality medical professionals.

Role of Correlations in the Collective Behavior of Microswimmer Suspensions

NASA Astrophysics Data System (ADS)

Stenhammar, Joakim; Nardini, Cesare; Nash, Rupert W.; Marenduzzo, Davide; Morozov, Alexander

2017-07-01

In this Letter, we study the collective behavior of a large number of self-propelled microswimmers immersed in a fluid. Using unprecedentedly large-scale lattice Boltzmann simulations, we reproduce the transition to bacterial turbulence. We show that, even well below the transition, swimmers move in a correlated fashion that cannot be described by a mean-field approach. We develop a novel kinetic theory that captures these correlations and is nonperturbative in the swimmer density. To provide an experimentally accessible measure of correlations, we calculate the diffusivity of passive tracers and reveal its nontrivial density dependence. The theory is in quantitative agreement with the lattice Boltzmann simulations and captures the asymmetry between pusher and puller swimmers below the transition to turbulence.

Superconducting scanning tunneling microscopy tips in a magnetic field: Geometry-controlled order of the phase transition

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

Eltschka, Matthias, E-mail: m.eltschka@fkf.mpg.de; Jäck, Berthold; Assig, Maximilian

The properties of geometrically confined superconductors significantly differ from their bulk counterparts. Here, we demonstrate the geometrical impact for superconducting scanning tunneling microscopy (STM) tips, where the confinement ranges from the atomic to the mesoscopic scale. To this end, we compare the experimentally determined magnetic field dependence for several vanadium tips to microscopic calculations based on the Usadel equation. For our theoretical model of a superconducting cone, we find a direct correlation between the geometry and the order of the superconducting phase transition. Increasing the opening angle of the cone changes the phase transition from first to second order. Comparingmore » our experimental findings to the theory reveals first and second order quantum phase transitions in the vanadium STM tips. In addition, the theory also explains experimentally observed broadening effects by the specific tip geometry.« less

Electrical properties and Raman studies of phase transitions in ferroelectric [N(CH3)4]2CoCl2Br2

NASA Astrophysics Data System (ADS)

Ben Mohamed, C.; Karoui, K.; Bulou, A.; Ben Rhaiem, A.

2018-03-01

The present paper accounted for the synthesis, electric properties and vibrational spectroscopy of [N(CH3)4]2CoCl2Br2. The dielectric spectra were measured in the frequency range 10-1-105 Hz and temperature interval from 223 to 393 K. The dielectical properties confirm the ferroelectric-paraelectric phase transition at 290 K, which is reported by Abdallah Ben Rhaiem et al. (2013). The equivalent circuit based on the Z-View-software was proposed and the conduction mechanisms were determined. The obtained results have been discussed in terms of the correlated barrier hopping model (CBH) in phase I and non-overlapping small polaron tunneling model (NSPT) in phases II and III. Raman spectra as function temperature have been used to characterize the phase transitions and their nature, which indicates a change of the some peak near the transitions phase.

Early-warning signals of critical transition: Effect of extrinsic noise

NASA Astrophysics Data System (ADS)

Qin, Shanshan; Tang, Chao

2018-03-01

Complex dynamical systems often have tipping points and exhibit catastrophic regime shift. Despite the notorious difficulty of predicting such transitions, accumulating studies have suggested the existence of generic early-warning signals (EWSs) preceding upcoming transitions. However, previous theories and models were based on the effect of the intrinsic noise (IN) when a system is approaching a critical point, and did not consider the pervasive environmental fluctuations or the extrinsic noise (EN). Here, we extend previous theory to investigate how the interplay of EN and IN affects EWSs. Stochastic simulations of model systems subject to both IN and EN have verified our theory and demonstrated that EN can dramatically alter and diminish the EWS. This effect is stronger with increasing amplitude and correlation time scale of the EN. In the presence of EN, the EWS can fail to predict or even give a false alarm of critical transitions.

Nuclear quantum shape-phase transitions in odd-mass systems

NASA Astrophysics Data System (ADS)

Quan, S.; Li, Z. P.; Vretenar, D.; Meng, J.

2018-03-01

Microscopic signatures of nuclear ground-state shape-phase transitions in odd-mass Eu isotopes are explored starting from excitation spectra and collective wave functions obtained by diagonalization of a core-quasiparticle coupling Hamiltonian based on energy density functionals. As functions of the physical control parameter—the number of nucleons—theoretical low-energy spectra, two-neutron separation energies, charge isotope shifts, spectroscopic quadrupole moments, and E 2 reduced transition matrix elements accurately reproduce available data and exhibit more-pronounced discontinuities at neutron number N =90 compared with the adjacent even-even Sm and Gd isotopes. The enhancement of the first-order quantum phase transition in odd-mass systems can be attributed to a shape polarization effect of the unpaired proton which, at the critical neutron number, starts predominantly coupling to Gd core nuclei that are characterized by larger quadrupole deformation and weaker proton pairing correlations compared with the corresponding Sm isotopes.

Electron-correlation study of Y III-Tc VII ions using a relativistic coupled-cluster theory

NASA Astrophysics Data System (ADS)

Das, Arghya; Bhowmik, Anal; Nath Dutta, Narendra; Majumder, Sonjoy

2018-01-01

Spectroscopic properties, useful for plasma diagnostics and astrophysics, of a few rubidium-like ions are studied here. We choose one of the simplest, but correlationally challenging series where d- and f-orbitals are present in the core and/or valence shells with 4d {}2{D}3/2 as the ground state. We study different correlation characteristics of this series and make precise calculations of electronic structure and rates of electromagnetic transitions. Our calculated lifetimes and transition rates are compared with other available experimental and theoretical values. Radiative rates of vacuum ultraviolet electromagnetic transitions of the long lived Tc6+ ion, useful in several areas of physics and chemistry, are estimated. To the best of our knowledge, there is no literature for most of these transitions.

The relationship between heart-carotid pulse transit time and carotid intima-media thickness in hypertensive patients.

PubMed

Li, C; Xiong, H; Wu, W; Tian, X; Wang, Y; Wu, D; Lin, W-H; Miao, F; Zhang, H; Huang, W; Zhang, Y-T

2015-11-01

The study aimed to investigate the relationship between heart-carotid pulse transit time and carotid intima-media thickness (CIMT) in hypertensive patients, and whether including the pre-ejection period (PEP) in heart-carotid pulse transit time would affect this correlation. A total of 62 hypertensive patients were included in this study. They were divided into the normal CIMT group (n=33, CIMT⩽0.8 mm) and the thickened CIMT group (n=29, CIMT>0.8 mm). The noninvasive ultrasound method was used to measure CIMT, electrocardiogram R-wave-based heart-carotid pulse transit time (rcPTT) and PEP. Aortic valve-carotid artery pulse transit time (acPTT) was calculated by subtracting PEP from rcPTT. Simple linear analysis showed that CIMT was negatively associated with rcPTT and acPTT (r=-0.57, P<0.0001; r=-0.41, P=0.016) in the normal CIMT group as well as in the thickened CIMT group (r=-0.50, P=0.0053; r=-0.59, P=0.001). These relationships were eliminated in the normal CIMT group after adjusting for age, gender, smoking behaviour, systolic blood pressure, diastolic blood pressure and cholesterol levels. However, rcPTT and acPTT still showed significant correlations with CIMT in the thickened CIMT group. In conclusion, rcPTT and acPTT were associated with CIMT, independent of well-known clinical confounders in thickened CIMT hypertensive patients. Therefore, rcPTT and acPTT might be useful markers for atherosclerosis evaluation.

Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation.

PubMed

Hub, Jochen S; Kubitzki, Marcus B; de Groot, Bert L

2010-05-06

We present molecular dynamics simulations of unliganded human hemoglobin (Hb) A under physiological conditions, starting from the R, R2, and T state. The simulations were carried out with protonated and deprotonated HC3 histidines His(beta)146, and they sum up to a total length of 5.6 micros. We observe spontaneous and reproducible T-->R quaternary transitions of the Hb tetramer and tertiary transitions of the alpha and beta subunits, as detected from principal component projections, from an RMSD measure, and from rigid body rotation analysis. The simulations reveal a marked asymmetry between the alpha and beta subunits. Using the mutual information as correlation measure, we find that the beta subunits are substantially more strongly linked to the quaternary transition than the alpha subunits. In addition, the tertiary populations of the alpha and beta subunits differ substantially, with the beta subunits showing a tendency towards R, and the alpha subunits showing a tendency towards T. Based on the simulation results, we present a transition pathway for coupled quaternary and tertiary transitions between the R and T conformations of Hb.

Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation

PubMed Central

de Groot, Bert L.

2010-01-01

We present molecular dynamics simulations of unliganded human hemoglobin (Hb) A under physiological conditions, starting from the R, R2, and T state. The simulations were carried out with protonated and deprotonated HC3 histidines His(β)146, and they sum up to a total length of 5.6µs. We observe spontaneous and reproducible T→R quaternary transitions of the Hb tetramer and tertiary transitions of the α and β subunits, as detected from principal component projections, from an RMSD measure, and from rigid body rotation analysis. The simulations reveal a marked asymmetry between the α and β subunits. Using the mutual information as correlation measure, we find that the β subunits are substantially more strongly linked to the quaternary transition than the α subunits. In addition, the tertiary populations of the α and β subunits differ substantially, with the β subunits showing a tendency towards R, and the α subunits showing a tendency towards T. Based on the simulation results, we present a transition pathway for coupled quaternary and tertiary transitions between the R and T conformations of Hb. PMID:20463873

Metabolite profiling and associated gene expression reveal two metabolic shifts during the seed-to-seedling transition in Arabidopsis thaliana.

PubMed

Silva, Anderson Tadeu; Ligterink, Wilco; Hilhorst, Henk W M

2017-11-01

Metabolic and transcriptomic correlation analysis identified two distinctive profiles involved in the metabolic preparation for seed germination and seedling establishment, respectively. Transcripts were identified that may control metabolic fluxes. The transition from a quiescent metabolic state (dry seed) to the active state of a vigorous seedling is crucial in the plant's life cycle. We analysed this complex physiological trait by measuring the changes in primary metabolism that occur during the transition in order to determine which metabolic networks are operational. The transition involves several developmental stages from seed germination to seedling establishment, i.e. between imbibition of the mature dry seed and opening of the cotyledons, the final stage of seedling establishment. We hypothesized that the advancement of growth is associated with certain signature metabolite profiles. Metabolite-metabolite correlation analysis underlined two specific profiles which appear to be involved in the metabolic preparation for seed germination and efficient seedling establishment, respectively. Metabolite profiles were also compared to transcript profiles and although transcriptional changes did not always equate to a proportional metabolic response, in depth correlation analysis identified several transcripts that may directly influence the flux through metabolic pathways during the seed-to-seedling transition. This correlation analysis also pinpointed metabolic pathways which are significant for the seed-to-seedling transition, and metabolite contents that appeared to be controlled directly by transcript abundance. This global view of the transcriptional and metabolic changes during the seed-to-seedling transition in Arabidopsis opens up new perspectives for understanding the complex regulatory mechanism underlying this transition.

Anisotropic stress correlations in two-dimensional liquids

DOE PAGES

Wu, Bin; Iwashita, Takuya; Egami, Takeshi

2015-03-01

In this paper we demonstrate the presence of anisotropic stress correlations in the simulated 2D liquids. Whereas the temporal correlation of macroscopic shear stress is known to contribute to viscosity via the Green-Kubo formula, the general question regarding angular dependence of the spatial correlation among atomic level stresses in liquids without external shear has not been explored. Besides the apparent anisotropicity with well-defined symmetry, we found that the characteristic length of shear stress correlation depends on temperature and follows the power law, suggesting divergence around the glass transition temperature. The anisotropy of the stress correlations can be explained in termsmore » of the inclusion model by Eshelby, based upon which we suggest that the mismatch between the atom and its nearest neighbor cage produces the atomic level stress as well as the long-range stress fields.« less

Laser transit anemometer software development program

NASA Technical Reports Server (NTRS)

Abbiss, John B.

1989-01-01

Algorithms were developed for the extraction of two components of mean velocity, standard deviation, and the associated correlation coefficient from laser transit anemometry (LTA) data ensembles. The solution method is based on an assumed two-dimensional Gaussian probability density function (PDF) model of the flow field under investigation. The procedure consists of transforming the data ensembles from the data acquisition domain (consisting of time and angle information) to the velocity space domain (consisting of velocity component information). The mean velocity results are obtained from the data ensemble centroid. Through a least squares fitting of the transformed data to an ellipse representing the intersection of a plane with the PDF, the standard deviations and correlation coefficient are obtained. A data set simulation method is presented to test the data reduction process. Results of using the simulation system with a limited test matrix of input values is also given.

Spatial correlations in driven-dissipative photonic lattices

NASA Astrophysics Data System (ADS)

Biondi, Matteo; Lienhard, Saskia; Blatter, Gianni; Türeci, Hakan E.; Schmidt, Sebastian

2017-12-01

We study the nonequilibrium steady-state of interacting photons in cavity arrays as described by the driven-dissipative Bose–Hubbard and spin-1/2 XY model. For this purpose, we develop a self-consistent expansion in the inverse coordination number of the array (∼ 1/z) to solve the Lindblad master equation of these systems beyond the mean-field approximation. Our formalism is compared and benchmarked with exact numerical methods for small systems based on an exact diagonalization of the Liouvillian and a recently developed corner-space renormalization technique. We then apply this method to obtain insights beyond mean-field in two particular settings: (i) we show that the gas–liquid transition in the driven-dissipative Bose–Hubbard model is characterized by large density fluctuations and bunched photon statistics. (ii) We study the antibunching–bunching transition of the nearest-neighbor correlator in the driven-dissipative spin-1/2 XY model and provide a simple explanation of this phenomenon.

New insights into designing metallacarborane based room temperature hydrogen storage media.

PubMed

Bora, Pankaj Lochan; Singh, Abhishek K

2013-10-28

Metallacarboranes are promising towards realizing room temperature hydrogen storage media because of the presence of both transition metal and carbon atoms. In metallacarborane clusters, the transition metal adsorbs hydrogen molecules and carbon can link these clusters to form metal organic framework, which can serve as a complete storage medium. Using first principles density functional calculations, we chalk out the underlying principles of designing an efficient metallacarborane based hydrogen storage media. The storage capacity of hydrogen depends upon the number of available transition metal d-orbitals, number of carbons, and dopant atoms in the cluster. These factors control the amount of charge transfer from metal to the cluster, thereby affecting the number of adsorbed hydrogen molecules. This correlation between the charge transfer and storage capacity is general in nature, and can be applied to designing efficient hydrogen storage systems. Following this strategy, a search for the best metallacarborane was carried out in which Sc based monocarborane was found to be the most promising H2 sorbent material with a 9 wt.% of reversible storage at ambient pressure and temperature.

New insights into designing metallacarborane based room temperature hydrogen storage media

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

Bora, Pankaj Lochan; Singh, Abhishek K.

Metallacarboranes are promising towards realizing room temperature hydrogen storage media because of the presence of both transition metal and carbon atoms. In metallacarborane clusters, the transition metal adsorbs hydrogen molecules and carbon can link these clusters to form metal organic framework, which can serve as a complete storage medium. Using first principles density functional calculations, we chalk out the underlying principles of designing an efficient metallacarborane based hydrogen storage media. The storage capacity of hydrogen depends upon the number of available transition metal d-orbitals, number of carbons, and dopant atoms in the cluster. These factors control the amount of chargemore » transfer from metal to the cluster, thereby affecting the number of adsorbed hydrogen molecules. This correlation between the charge transfer and storage capacity is general in nature, and can be applied to designing efficient hydrogen storage systems. Following this strategy, a search for the best metallacarborane was carried out in which Sc based monocarborane was found to be the most promising H{sub 2} sorbent material with a 9 wt.% of reversible storage at ambient pressure and temperature.« less

Transition state theory thermal rate constants and RRKM-based branching ratios for the N((2)D) + CH(4) reaction based on multi-state and multi-reference ab initio calculations of interest for the Titan's chemistry.

PubMed

Ouk, Chanda-Malis; Zvereva-Loëte, Natalia; Scribano, Yohann; Bussery-Honvault, Béatrice

2012-10-30

Multireference single and double configuration interaction (MRCI) calculations including Davidson (+Q) or Pople (+P) corrections have been conducted in this work for the reactants, products, and extrema of the doublet ground state potential energy surface involved in the N((2)D) + CH(4) reaction. Such highly correlated ab initio calculations are then compared with previous PMP4, CCSD(T), W1, and DFT/B3LYP studies. Large relative differences are observed in particular for the transition state in the entrance channel resolving the disagreement between previous ab initio calculations. We confirm the existence of a small but positive potential barrier (3.86 ± 0.84 kJ mol(-1) (MR-AQCC) and 3.89 kJ mol(-1) (MRCI+P)) in the entrance channel of the title reaction. The correlation is seen to change significantly the energetic position of the two minima and five saddle points of this system together with the dissociation channels but not their relative order. The influence of the electronic correlation into the energetic of the system is clearly demonstrated by the thermal rate constant evaluation and it temperature dependance by means of the transition state theory. Indeed, only MRCI values are able to reproduce the experimental rate constant of the title reaction and its behavior with temperature. Similarly, product branching ratios, evaluated by means of unimolecular RRKM theory, confirm the NH production of Umemoto et al., whereas previous works based on less accurate ab initio calculations failed. We confirm the previous findings that the N((2)D) + CH(4) reaction proceeds via an insertion-dissociation mechanism and that the dominant product channels are CH(2)NH + H and CH(3) + NH. Copyright © 2012 Wiley Periodicals, Inc.

Ultrahigh-Power Pseudocapacitors Based on Ordered Porous Heterostructures of Electron-Correlated Oxides.

PubMed

Lang, Xing-You; Liu, Bo-Tian; Shi, Xiang-Mei; Li, Ying-Qi; Wen, Zi; Jiang, Qing

2016-05-01

Nanostructured transition-metal oxides can store high-density energy in fast surface redox reactions, but their poor conductivity causes remarkable reductions in the energy storage of most pseudocapacitors at high power delivery (fast charge/discharge rates). Here it is shown that electron-correlated oxide hybrid electrodes made of nanocrystalline vanadium sesquioxide and manganese dioxide with 3D and bicontinuous nanoporous architecture (NP V 2 O 3 /MnO 2 ) have enhanced conductivity because of metallization of electron-correlated V 2 O 3 skeleton via insulator-to-metal transition. The conductive V 2 O 3 skeleton at ambient temperature enables fast electron and ion transports in the entire electrode and facilitates charge transfer at abundant V 2 O 3 /MnO 2 interface. These merits significantly improve the pseudocapacitive behavior and rate capability of the constituent MnO 2 . Symmetric pseudocapacitors assembled with binder-free NP V 2 O 3 /MnO 2 electrodes deliver ultrahigh electrical powers (up to ≈422 W cm 23 ) while maintaining the high volumetric energy of thin-film lithium battery with excellent stability.

Recognition of human activity characteristics based on state transitions modeling technique

NASA Astrophysics Data System (ADS)

Elangovan, Vinayak; Shirkhodaie, Amir

2012-06-01

Human Activity Discovery & Recognition (HADR) is a complex, diverse and challenging task but yet an active area of ongoing research in the Department of Defense. By detecting, tracking, and characterizing cohesive Human interactional activity patterns, potential threats can be identified which can significantly improve situation awareness, particularly, in Persistent Surveillance Systems (PSS). Understanding the nature of such dynamic activities, inevitably involves interpretation of a collection of spatiotemporally correlated activities with respect to a known context. In this paper, we present a State Transition model for recognizing the characteristics of human activities with a link to a prior contextbased ontology. Modeling the state transitions between successive evidential events determines the activities' temperament. The proposed state transition model poses six categories of state transitions including: Human state transitions of Object handling, Visibility, Entity-entity relation, Human Postures, Human Kinematics and Distance to Target. The proposed state transition model generates semantic annotations describing the human interactional activities via a technique called Casual Event State Inference (CESI). The proposed approach uses a low cost kinect depth camera for indoor and normal optical camera for outdoor monitoring activities. Experimental results are presented here to demonstrate the effectiveness and efficiency of the proposed technique.

Correlating Transcription Initiation and Conformational Changes by a Single-Subunit RNA Polymerase with Near Base-Pair Resolution.

PubMed

Koh, Hye Ran; Roy, Rahul; Sorokina, Maria; Tang, Guo-Qing; Nandakumar, Divya; Patel, Smita S; Ha, Taekjip

2018-05-17

We provide a comprehensive analysis of transcription in real time by T7 RNA Polymerase (RNAP) using single-molecule fluorescence resonance energy transfer by monitoring the entire life history of transcription initiation, including stepwise RNA synthesis with near base-pair resolution, abortive cycling, and transition into elongation. Kinetically branching pathways were observed for abortive initiation with an RNAP either recycling on the same promoter or exchanging with another RNAP from solution. We detected fast and slow populations of RNAP in their transition into elongation, consistent with the efficient and delayed promoter release, respectively, observed in ensemble studies. Real-time monitoring of abortive cycling using three-probe analysis showed that the initiation events are stochastically branched into productive and failed transcription. The abortive products are generated primarily from initiation events that fail to progress to elongation, and a majority of the productive events transit to elongation without making abortive products. Copyright © 2018 Elsevier Inc. All rights reserved.

Epitaxial VO2 thin-film-based radio-frequency switches with electrical activation

NASA Astrophysics Data System (ADS)

Lee, Jaeseong; Lee, Daesu; Cho, Sang June; Seo, Jung-Hun; Liu, Dong; Eom, Chang-Beom; Ma, Zhenqiang

2017-09-01

Vanadium dioxide (VO2) is a correlated material exhibiting a sharp insulator-to-metal phase transition (IMT) caused by temperature change and/or bias voltage. We report on the demonstration of electrically triggered radio-frequency (RF) switches based on epitaxial VO2 thin films. The highly epitaxial VO2 and SnO2 template layer was grown on a (001) TiO2 substrate by pulsed laser deposition (PLD). A resistance change of the VO2 thin films of four orders of magnitude was achieved with a relatively low threshold voltage, as low as 13 V, for an IMT phase transition. VO2 RF switches also showed high-frequency responses of insertion losses of -3 dB at the on-state and return losses of -4.3 dB at the off-state over 27 GHz. Furthermore, an intrinsic cutoff frequency of 17.4 THz was estimated for the RF switches. The study on electrical IMT dynamics revealed a phase transition time of 840 ns.

Predictions of glass transition temperature for hydrogen bonding biomaterials.

PubMed

van der Sman, R G M

2013-12-19

We show that the glass transition of a multitude of mixtures containing hydrogen bonding materials correlates strongly with the effective number of hydroxyl groups per molecule, which are available for intermolecular hydrogen bonding. This correlation is in compliance with the topological constraint theory, wherein the intermolecular hydrogen bonds constrain the mobility of the hydrogen bonded network. The finding that the glass transition relates to hydrogen bonding rather than free volume agrees with our recent finding that there is little difference in free volume among carbohydrates and polysaccharides. For binary and ternary mixtures of sugars, polyols, or biopolymers with water, our correlation states that the glass transition temperature is linear with the inverse of the number of effective hydroxyl groups per molecule. Only for dry biopolymer/sugar or sugar/polyol mixtures do we find deviations due to nonideal mixing, imposed by microheterogeneity.

Effects of frustration on explosive synchronization

NASA Astrophysics Data System (ADS)

Huang, Xia; Gao, Jian; Sun, Yu-Ting; Zheng, Zhi-Gang; Xu, Can

2016-12-01

In this study, we consider the emergence of explosive synchronization in scale-free networks by considering the Kuramoto model of coupled phase oscillators. The natural frequencies of oscillators are assumed to be correlated with their degrees and frustration is included in the system. This assumption can enhance or delay the explosive transition to synchronization. Interestingly, a de-synchronization phenomenon occurs and the type of phase transition is also changed. Furthermore, we provide an analytical treatment based on a star graph, which resembles that obtained in scale-free networks. Finally, a self-consistent approach is implemented to study the de-synchronization regime. Our findings have important implications for controlling synchronization in complex networks because frustration is a controllable parameter in experiments and a discontinuous abrupt phase transition is always dangerous in engineering in the real world.

Effects of correlation in transition radiation of super-short electron bunches

NASA Astrophysics Data System (ADS)

Danilova, D. K.; Tishchenko, A. A.; Strikhanov, M. N.

2017-07-01

The effect of correlations between electrons in transition radiation is investigated. The correlation function is obtained with help of the approach similar to the Debye-Hückel theory. The corrections due to correlations are estimated to be near 2-3% for the parameters of future projects SINBAD and FLUTE for bunches with extremely small lengths (∼1-10 fs). For the bunches with number of electrons about ∼ 2.5 ∗1010 and more, and short enough that the radiation would be coherent, the corrections due to correlations are predicted to reach 20%.

Disentangled Cooperative Orderings in Artificial Rare-Earth Nickelates.

PubMed

Middey, S; Meyers, D; Kareev, M; Cao, Yanwei; Liu, X; Shafer, P; Freeland, J W; Kim, J-W; Ryan, P J; Chakhalian, J

2018-04-13

Coupled transitions between distinct ordered phases are important aspects behind the rich phase complexity of correlated oxides that hinder our understanding of the underlying phenomena. For this reason, fundamental control over complex transitions has become a leading motivation of the designer approach to materials. We have devised a series of new superlattices by combining a Mott insulator and a correlated metal to form ultrashort period superlattices, which allow one to disentangle the simultaneous orderings in RENiO_{3}. Tailoring an incommensurate heterostructure period relative to the bulk charge ordering pattern suppresses the charge order transition while preserving metal-insulator and antiferromagnetic transitions. Such selective decoupling of the entangled phases resolves the long-standing puzzle about the driving force behind the metal-insulator transition and points to the site-selective Mott transition as the operative mechanism. This designer approach emphasizes the potential of heterointerfaces for selective control of simultaneous transitions in complex materials with entwined broken symmetries.

Analysis of flight test transition and turbulent heating data. Part 1: Boundary layer transition results

NASA Technical Reports Server (NTRS)

Martellucci, A.; Maguire, B. L.; Neff, R. S.

1972-01-01

The objective of the study was to provide a detailed post flight evaluation of ballistic vehicle flight test boundary layer transition data. A total of fifty-five vehicles were selected for analysis. These vehicles were chosen from a data sampling of roughly two hundred flights and the criteria for vehicle selection is delineated herein. The results of the analysis indicate that frustum transition of re-entry vehicles appears to be nose tip dominated. Frustum related parameters and materials apparently have a second order effect on transition. This implies that local viscous parameters on the frustum should not correlate flight test transition data, and in fact they do not. Specific parameters relative to the nose tip have been identified as the apparent dominant factors that characterize the transition phenomena and a correlation of flight test data is presented.

Disentangled Cooperative Orderings in Artificial Rare-Earth Nickelates

NASA Astrophysics Data System (ADS)

Middey, S.; Meyers, D.; Kareev, M.; Cao, Yanwei; Liu, X.; Shafer, P.; Freeland, J. W.; Kim, J.-W.; Ryan, P. J.; Chakhalian, J.

2018-04-01

Coupled transitions between distinct ordered phases are important aspects behind the rich phase complexity of correlated oxides that hinder our understanding of the underlying phenomena. For this reason, fundamental control over complex transitions has become a leading motivation of the designer approach to materials. We have devised a series of new superlattices by combining a Mott insulator and a correlated metal to form ultrashort period superlattices, which allow one to disentangle the simultaneous orderings in RENiO3 . Tailoring an incommensurate heterostructure period relative to the bulk charge ordering pattern suppresses the charge order transition while preserving metal-insulator and antiferromagnetic transitions. Such selective decoupling of the entangled phases resolves the long-standing puzzle about the driving force behind the metal-insulator transition and points to the site-selective Mott transition as the operative mechanism. This designer approach emphasizes the potential of heterointerfaces for selective control of simultaneous transitions in complex materials with entwined broken symmetries.

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence.

PubMed

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J; Baltzer, Jon R

2015-06-30

The precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolve into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody's correlation. Plug base flow requires stronger inlet disturbance for transition. Accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition.

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence

PubMed Central

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J.; Baltzer, Jon R.

2015-01-01

The precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolve into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody’s correlation. Plug base flow requires stronger inlet disturbance for transition. Accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition. PMID:26080447

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence

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

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J.

We report that the precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolvemore » into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody’s correlation. Plug base flow requires stronger inlet disturbance for transition. Finally, accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition.« less

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence

DOE PAGES

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J.; ...

2015-06-15

We report that the precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolvemore » into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody’s correlation. Plug base flow requires stronger inlet disturbance for transition. Finally, accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition.« less

Thermal properties of zirconium diboride -- transition metal boride solid solutions

NASA Astrophysics Data System (ADS)

McClane, Devon Lee

This research focuses on the thermal properties of zirconium diboride (ZrB2) based ceramics. The overall goal was to improve the understanding of how different transition metal (TM) additives influence thermal transport in ZrB2. To achieve this, ZrB2 with 0.5 wt% carbon, and 3 mol% of individual transition metal borides, was densified by hot-press sintering. The transition metals that were investigated were: Y, Ti, Hf, V, Nb, Ta, Cr, Mo, W, and Re. The room temperature thermal diffusivities of the compositions ranged from 0.331 cm2/s for nominally pure ZrB2 to 0.105 cm2/s for (Zr,Cr)B2 and converged around 0.155cm2/s at higher temperatures for all compositions. Thermal conductivities were calculated from the diffusivities, using temperature-dependent values for density and heat capacity. The electron contribution to thermal conductivity was calculated from measured electrical resistivity according to the Wiedemann-Franz law. The phonon contribution to thermal conductivity was calculated by subtracting the electron contribution from the total thermal conductivity. Rietveld refinement of x-ray diffraction data was used to determine the lattice parameters of the compositions. The decrease in thermal conductivity for individual additives correlated directly to the metallic radius of the additive. Additional strain appeared to exist for additives when the stable TM boride for that metal had different crystal symmetries than ZrB2. This research provided insight into how additives and impurities affect thermal transport in ZrB2. The research potentially offers a basis for future modeling of thermal conductivity in ultra-high temperature ceramics based on the correlation between metallic radius and the decrease in thermal conductivity.

Modeling temporal sequences of cognitive state changes based on a combination of EEG-engagement, EEG-workload, and heart rate metrics

PubMed Central

Stikic, Maja; Berka, Chris; Levendowski, Daniel J.; Rubio, Roberto F.; Tan, Veasna; Korszen, Stephanie; Barba, Douglas; Wurzer, David

2014-01-01

The objective of this study was to investigate the feasibility of physiological metrics such as ECG-derived heart rate and EEG-derived cognitive workload and engagement as potential predictors of performance on different training tasks. An unsupervised approach based on self-organizing neural network (NN) was utilized to model cognitive state changes over time. The feature vector comprised EEG-engagement, EEG-workload, and heart rate metrics, all self-normalized to account for individual differences. During the competitive training process, a linear topology was developed where the feature vectors similar to each other activated the same NN nodes. The NN model was trained and auto-validated on combat marksmanship training data from 51 participants that were required to make “deadly force decisions” in challenging combat scenarios. The trained NN model was cross validated using 10-fold cross-validation. It was also validated on a golf study in which additional 22 participants were asked to complete 10 sessions of 10 putts each. Temporal sequences of the activated nodes for both studies followed the same pattern of changes, demonstrating the generalization capabilities of the approach. Most node transition changes were local, but important events typically caused significant changes in the physiological metrics, as evidenced by larger state changes. This was investigated by calculating a transition score as the sum of subsequent state transitions between the activated NN nodes. Correlation analysis demonstrated statistically significant correlations between the transition scores and subjects' performances in both studies. This paper explored the hypothesis that temporal sequences of physiological changes comprise the discriminative patterns for performance prediction. These physiological markers could be utilized in future training improvement systems (e.g., through neurofeedback), and applied across a variety of training environments. PMID:25414629

Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.

PubMed

Bao, Junwei Lucas; Odoh, Samuel O; Gagliardi, Laura; Truhlar, Donald G

2017-02-14

We study the performance of multiconfiguration pair-density functional theory (MC-PDFT) and multireference perturbation theory for the computation of the bond dissociation energies in 12 transition-metal-containing diatomic molecules and three small transition-metal-containing polyatomic molecules and in two transition-metal dimers. The first step is a multiconfiguration self-consistent-field calculation, for which two choices must be made: (i) the active space and (ii) its partition into subspaces, if the generalized active space formulation is used. In the present work, the active space is chosen systematically by using three correlated-participating-orbitals (CPO) schemes, and the partition is chosen by using the separated-pair (SP) approximation. Our calculations show that MC-PDFT generally has similar accuracy to CASPT2, and the active-space dependence of MC-PDFT is not very great for transition-metal-ligand bond dissociation energies. We also find that the SP approximation works very well, and in particular SP with the fully translated BLYP functional SP-ftBLYP is more accurate than CASPT2. SP greatly reduces the number of configuration state functions relative to CASSCF. For the cases of FeO and NiO with extended-CPO active space, for which complete active space calculations are unaffordable, SP calculations are not only affordable but also of satisfactory accuracy. All of the MC-PDFT results are significantly better than the corresponding results with broken-symmetry spin-unrestricted Kohn-Sham density functional theory. Finally we test a perturbation theory method based on the SP reference and find that it performs slightly worse than CASPT2 calculations, and for most cases of the nominal-CPO active space, the approximate SP perturbation theory calculations are less accurate than the much less expensive SP-PDFT calculations.

Magnetic order tuned by Cu substitution in Fe 1.1–zCu zTe

DOE PAGES

Wen, Jinsheng; Xu, Zhijun; Xu, Guangyong; ...

2012-07-02

We study the effects of Cu substitution in Fe₁.₁Te, the nonsuperconducting parent compound of the iron-based superconductor, Fe₁₊ yTe₁₋ xSe x, utilizing neutron scattering techniques. It is found that the structural and magnetic transitions, which occur at ~60 K without Cu, are monotonically depressed with increasing Cu content. By 10% Cu for Fe, the structural transition is hardly detectable, and the system becomes a spin glass below 22 K, with a slightly incommensurate ordering wave vector of (0.5–δ, 0, 0.5) with δ being the incommensurability of 0.02, and correlation length of 12 Å along the a axis and 9 Åmore » along the c axis. With 4% Cu, both transition temperatures are at 41 K, though short-range incommensurate order at (0.42, 0, 0.5) is present at 60 K. With further cooling, the incommensurability decreases linearly with temperature down to 37 K, below which there is a first-order transition to a long-range almost-commensurate antiferromagnetic structure. A spin anisotropy gap of 4.5 meV is also observed in this compound. Our results show that the weakly magnetic Cu has a large effect on the magnetic correlations; it is suggested that this is caused by the frustration of the exchange interactions between the coupled Fe spins.« less

Novel blood pressure and pulse pressure estimation based on pulse transit time and stroke volume approximation.

PubMed

Lee, Joonnyong; Sohn, JangJay; Park, Jonghyun; Yang, SeungMan; Lee, Saram; Kim, Hee Chan

2018-06-18

Non-invasive continuous blood pressure monitors are of great interest to the medical community due to their value in hypertension management. Recently, studies have shown the potential of pulse pressure as a therapeutic target for hypertension, but not enough attention has been given to non-invasive continuous monitoring of pulse pressure. Although accurate pulse pressure estimation can be of direct value to hypertension management and indirectly to the estimation of systolic blood pressure, as it is the sum of pulse pressure and diastolic blood pressure, only a few inadequate methods of pulse pressure estimation have been proposed. We present a novel, non-invasive blood pressure and pulse pressure estimation method based on pulse transit time and pre-ejection period. Pre-ejection period and pulse transit time were measured non-invasively using electrocardiogram, seismocardiogram, and photoplethysmogram measured from the torso. The proposed method used the 2-element Windkessel model to model pulse pressure with the ratio of stroke volume, approximated by pre-ejection period, and arterial compliance, estimated by pulse transit time. Diastolic blood pressure was estimated using pulse transit time, and systolic blood pressure was estimated as the sum of the two estimates. The estimation method was verified in 11 subjects in two separate conditions with induced cardiovascular response and the results were compared against a reference measurement and values obtained from a previously proposed method. The proposed method yielded high agreement with the reference (pulse pressure correlation with reference R ≥ 0.927, diastolic blood pressure correlation with reference R ≥ 0.854, systolic blood pressure correlation with reference R ≥ 0.914) and high estimation accuracy in pulse pressure (mean root-mean-squared error ≤ 3.46 mmHg) and blood pressure (mean root-mean-squared error ≤ 6.31 mmHg for diastolic blood pressure and ≤ 8.41 mmHg for systolic blood pressure) over a wide range of hemodynamic changes. The proposed pulse pressure estimation method provides accurate estimates in situations with and without significant changes in stroke volume. The proposed method improves upon the currently available systolic blood pressure estimation methods by providing accurate pulse pressure estimates.

Shallow Transits—Deep Learning. I. Feasibility Study of Deep Learning to Detect Periodic Transits of Exoplanets

NASA Astrophysics Data System (ADS)

Zucker, Shay; Giryes, Raja

2018-04-01

Transits of habitable planets around solar-like stars are expected to be shallow, and to have long periods, which means low information content. The current bottleneck in the detection of such transits is caused in large part by the presence of red (correlated) noise in the light curves obtained from the dedicated space telescopes. Based on the groundbreaking results deep learning achieves in many signal and image processing applications, we propose to use deep neural networks to solve this problem. We present a feasibility study, in which we applied a convolutional neural network on a simulated training set. The training set comprised light curves received from a hypothetical high-cadence space-based telescope. We simulated the red noise by using Gaussian Processes with a wide variety of hyper-parameters. We then tested the network on a completely different test set simulated in the same way. Our study proves that very difficult cases can indeed be detected. Furthermore, we show how detection trends can be studied and detection biases quantified. We have also checked the robustness of the neural-network performance against practical artifacts such as outliers and discontinuities, which are known to affect space-based high-cadence light curves. Future work will allow us to use the neural networks to characterize the transit model and identify individual transits. This new approach will certainly be an indispensable tool for the detection of habitable planets in the future planet-detection space missions such as PLATO.

Modelling of Cosmic Molecular Masers: Introduction to a Computation Cookbook

NASA Astrophysics Data System (ADS)

Sobolev, Andrej M.; Gray, Malcolm D.

2012-07-01

Numerical modeling of molecular masers is necessary in order to understand their nature and diagnostic capabilities. Model construction requires elaboration of a basic description which allows computation, that is a definition of the parameter space and basic physical relations. Usually, this requires additional thorough studies that can consist of the following stages/parts: relevant molecular spectroscopy and collisional rate coefficients; conditions in and around the masing region (that part of space where population inversion is realized); geometry and size of the masing region (including the question of whether maser spots are discrete clumps or line-of-sight correlations in a much bigger region) and propagation of maser radiation. Output of the maser computer modeling can have the following forms: exploration of parameter space (where do inversions appear in particular maser transitions and their combinations, which parameter values describe a `typical' source, and so on); modeling of individual sources (line flux ratios, spectra, images and their variability); analysis of the pumping mechanism; predictions (new maser transitions, correlations in variability of different maser transitions, and the like). Described schemes (constituents and hierarchy) of the model input and output are based mainly on the experience of the authors and make no claim to be dogmatic.

Transition paths of Met-enkephalin from Markov state modeling of a molecular dynamics trajectory.

PubMed

Banerjee, Rahul; Cukier, Robert I

2014-03-20

Conformational states and their interconversion pathways of the zwitterionic form of the pentapeptide Met-enkephalin (MetEnk) are identified. An explicit solvent molecular dynamics (MD) trajectory is used to construct a Markov state model (MSM) based on dihedral space clustering of the trajectory, and transition path theory (TPT) is applied to identify pathways between open and closed conformers. In the MD trajectory, only four of the eight backbone dihedrals exhibit bistable behavior. Defining a conformer as the string XXXX with X = "+" or "-" denoting, respectively, positive or negative values of a given dihedral angle and obtaining the populations of these conformers shows that only four conformers are highly populated, implying a strong correlation among these dihedrals. Clustering in dihedral space to construct the MSM finds the same four bistable dihedral angles. These state populations are very similar to those found directly from the MD trajectory. TPT is used to obtain pathways, parametrized by committor values, in dihedral state space that are followed in transitioning from closed to open states. Pathway costs are estimated by introducing a kinetics-based procedure that orders pathways from least (shortest) to greater cost paths. The least costly pathways in dihedral space are found to only involve the same XXXX set of dihedral angles, and the conformers accessed in the closed to open transition pathways are identified. For these major pathways, a correlation between reaction path progress (committors) and the end-to-end distance is identified. A dihedral space principal component analysis of the MD trajectory shows that the first three modes capture most of the overall fluctuation, and pick out the same four dihedrals having essentially all the weight in those modes. A MSM based on root-mean-square backbone clustering was also carried out, with good agreement found with dihedral clustering for the static information, but with results that differ significantly for the pathway analysis.

Solidification and Morphological Evolution of Al-Si Eutectics in Convector-Diffusive Conditions

NASA Technical Reports Server (NTRS)

Singh, N. B.; Su, Ching Hua; Arnold, Brad; Choa, Fow-Sen; Mandal, K. D.

2017-01-01

The Al-Si material system is an important and has been studied for over half century with a focus on industrial applications in high strength and high conductivity alloys. A great deal of researches have been focused on controlling the morphology and hence performance through the addition of small impurities and by processing conditions. Most of the structure-property correlations are based on the post solidified micromorphology and growth conditions. This material system is unique and has been explored for heat spreader, controlling coefficient of expansion by adjusting composition of silicon and in designing composites. The Al-Si system is very interesting system for understanding the dendritic (Al-rich side) eutectic transition. Recently this system has been of great interest because of its applications in designing heat spreader, low temperature flux to grow SiC large substrates and in controlling the coefficient of expansion of Al-based alloys. We have performed extensive experiments to understand eutectic transition and to understand the morphological evolution in presence of impurities. We will discuss the results of dendritic transition into faceted long grains in convector-diffusive conditions. In this presentation we will present morphological transition in presence of carbon impurity and development of novel morphology.

Transition edge sensors for quench localization in SRF cavity tests

NASA Astrophysics Data System (ADS)

Furci, H.; Kovács, Z.; Koettig, T.; Vandoni, G.

2017-12-01

Transition Edge Sensors (TES) are bolometers based on the gradual superconducting transition of a thin film alloy. In the frame of improvement of non-contact thermal mapping for quench localisation in SRF cavity tests, TES have been developed in-house at CERN. Based on modern photolithography techniques, a fabrication method has been established and used to produce TES from Au-Sn alloys. The fabricated sensors superconducting transitions were characterised. The sensitive temperature range of the sensors spreads over 100 mK to 200 mK and its centre can be shifted by the bias current applied between 1.5 K and 2.1 K. Maximum sensitivity being in the range of 0.5 mV/mK, it is possible to detect fast temperature variations (in the 50 μs range) below 1 mK. All these characteristics are an asset for the detection of second sound. Second sound was produced by heaters and the TES were able to distinctively detect it. The value of the speed of second sound was determined and corresponds remarkably with literature values. Furthermore, there is a clear correlation between intensity of the signal and distance, opening possibilities for a more precise signal interpretation in quench localisation.

Novel photoinduced phase transitions in transition metal oxides and diluted magnetic semiconductors.

PubMed

Mizokawa, Takashi

2012-10-23

Some transition metal oxides have frustrated electronic states under multiphase competition due to strongly correlated d electrons with spin, charge, and orbital degrees of freedom and exhibit drastic responses to external stimuli such as optical excitation. Here, we present photoemission studies on Pr0.55(Ca1 - ySry)0.45MnO3 (y = 0.25), SrTiO3, and Ti1 - xCoxO2 (x = 0.05, 0.10) under laser illumination and discuss electronic structural changes induced by optical excitation in these strongly correlated oxides. We discuss the novel photoinduced phase transitions in these transition metal oxides and diluted magnetic semiconductors on the basis of polaronic pictures such as orbital, ferromagnetic, and ferroelectric polarons.

A Catalog of Transit Timing Posterior Distributions for all Kepler Planet Candidate Events

NASA Astrophysics Data System (ADS)

Montet, Benjamin Tyler; Becker, Juliette C.; Johnson, John

2015-08-01

Kepler has ushered in a new era of planetary dynamics, enabling the detection of interactions between multiple planets in transiting systems for hundreds of systems. These interactions, observed as transit timing variations (TTVs), have been used to find non-transiting companions to transiting systems and to measure masses, eccentricities, and inclinations of transiting planets. Often, physical parameters are inferred by comparing the observed light curve to the result of a photodynamical model, a time-intensive process that often ignores the effects of correlated noise in the light curve. Catalogs of transit timing observations have previously neglected non-Gaussian uncertainties in the times of transit, uncertainties in the transit shape, and short cadence data. Here, we present a catalog of not only times of transit centers, but also posterior distributions on the time of transit for every planet candidate transit event in the Kepler data, developed through importance sampling of each transit. This catalog allows us to marginalize over uncertainties in the transit shape and incorporate short cadence data, the effects of correlated noise, and non-Gaussian posteriors. Our catalog will enable dynamical studies that reflect accurately the precision of Kepler and its limitations without requiring the computational power to model the light curve completely with every integration.

Prevalence and correlates of screen-based media use among youths with autism spectrum disorders.

PubMed

Mazurek, Micah O; Shattuck, Paul T; Wagner, Mary; Cooper, Benjamin P

2012-08-01

Anecdotal reports indicate that individuals with autism spectrum disorders (ASD) are often preoccupied with television, computers, and video games (screen-based media). However, few studies have examined this issue. The current study examined screen-based media use among a large, nationally representative sample of youths participating in the National Longitudinal Transition Study-2 (NLTS2). The majority of youths with ASD (64.2%) spent most of their free time using non-social media (television, video games), while only 13.2% spent time on social media (email, internet chatting). Compared with other disability groups (speech/language impairments, learning disabilities, intellectual disabilities), rates of non-social media use were higher among the ASD group, and rates of social media use were lower. Demographic and symptom-specific correlates were also examined.

Signatures of a dissipative phase transition in photon correlation measurements

NASA Astrophysics Data System (ADS)

Fink, Thomas; Schade, Anne; Höfling, Sven; Schneider, Christian; Imamoglu, Ataç

2018-04-01

Understanding and characterizing phase transitions in driven-dissipative systems constitutes a new frontier for many-body physics1-8. A generic feature of dissipative phase transitions is a vanishing gap in the Liouvillian spectrum9, which leads to long-lived deviations from the steady state as the system is driven towards the transition. Here, we show that photon correlation measurements can be used to characterize the corresponding critical slowing down of non-equilibrium dynamics. We focus on the extensively studied phenomenon of optical bistability in GaAs cavity polaritons10,11, which can be described as a first-order dissipative phase transition12-14. Increasing the excitation strength towards the bistable range results in an increasing photon-bunching signal along with a decay time that is prolonged by more than nine orders of magnitude as compared with that of single polaritons. In the limit of strong polariton interactions leading to pronounced quantum fluctuations, the mean-field bistability threshold is washed out. Nevertheless, the functional form with which the Liouvillian gap closes as the thermodynamic limit is approached provides a signature of the emerging dissipative phase transition. Our results establish photon correlation measurements as an invaluable tool for studying dynamical properties of dissipative phase transitions without requiring phase-sensitive interferometric measurements.

Qualitative Video Analysis of Track-Cycling Team Pursuit in World-Class Athletes.

PubMed

Sigrist, Samuel; Maier, Thomas; Faiss, Raphael

2017-11-01

Track-cycling team pursuit (TP) is a highly technical effort involving 4 athletes completing 4 km from a standing start, often in less than 240 s. Transitions between athletes leading the team are obviously of utmost importance. To perform qualitative video analyses of transitions of world-class athletes in TP competitions. Videos captured at 100 Hz were recorded for 77 races (including 96 different athletes) in 5 international track-cycling competitions (eg, UCI World Cups and World Championships) and analyzed for the 12 best teams in the UCI Track Cycling TP Olympic ranking. During TP, 1013 transitions were evaluated individually to extract quantitative (eg, average lead time, transition number, length, duration, height in the curve) and qualitative (quality of transition start, quality of return at the back of the team, distance between third and returning rider score) variables. Determination of correlation coefficients between extracted variables and end time allowed assessment of relationships between variables and relevance of the video analyses. Overall quality of transitions and end time were significantly correlated (r = .35, P = .002). Similarly, transition distance (r = .26, P = .02) and duration (r = .35, P = .002) were positively correlated with end time. Conversely, no relationship was observed between transition number, average lead time, or height reached in the curve and end time. Video analysis of TP races highlights the importance of quality transitions between riders, with preferably swift and short relays rather than longer lead times for faster race times.

Student Levels of Cognitive Development: Establishing Links between Logical Thinking Skills and Success in Earth Science

NASA Astrophysics Data System (ADS)

Steer, D. N.; McConnell, D. A.; Owens, K.

2003-12-01

Students in inquiry-based, general education Earth Science courses were found to display a wide range of logical thinking skills that are known indicators of success in science courses. The Group Assessment of Logical Thinking instrument that tests six logical operations was administered on the first day of class and near the end of the course. Such tests can be used to assess a student's overall level of cognitive development (concrete, transitional or formal) and specific logical thinking strengths or weaknesses. Results from paired pre- and post-course logical thinking tests of 393 students indicated that 25% of the incoming students were concrete, 30% were transitional and 45% were formal thinkers. Concrete and transitional thinkers were far more likely to withdraw from or fail the course when compared to their formal thinking peers (35%, 25% and 10% respectively). Differences in scores between genders were significant with 210 females testing at 30% concrete, 35% transitional and 35% formal on the pretest compared to 183 males who tested 15% concrete, 25% transitional and 60% formal. Overall logical thinking scores of students increased significantly in every inquiry-based class with lecture-based classes showing overall lower increases. Post-test data indicated that there were fewer concrete thinkers (16% female, 7% male), little change in the number of transitional thinkers (30% female, 23% male) and more formal thinkers (54% female, 70% male) toward the end of the inquiry-based course. Scores on two of the logical operations, conservation and probability, were sufficient to separate those who received a high grade (A or B in course) from those were unsuccessful (D, F or withdrew). Students who score low in conservation operations (n=46) tend to rely on intuition rather than logic when trying to understand typical Earth System concepts such as plate tectonics, atmospheric processes and climate change. Students who score low in probability skills (n=46) have difficulty distinguishing the difference between unrelated, but possible, data and those data that confirm a supposition. Such skills are necessary to properly apply the scientific method. By the end of the course, unsuccessful concrete students improved conservation reasoning skills to the same levels of their higher performing concrete peers on the post-test but remained behind them in probability skills. Successful transitional thinkers (n=50) displayed better correlation-reasoning skills than their lower performing contemporaries (n=51). Correlation reasoning skills are necessary to understand some of the many causal relationships routinely developed in the Earth Sciences (e.g. those associated with plate tectonics and earthquakes or volcanoes; CO2 and global climate change).

Transitions between strongly correlated and random steady-states for catalytic CO-oxidation on surfaces at high-pressure

DOE PAGES

Liu, Da -Jiang; Evans, James W.

2015-04-02

We explore simple lattice-gas reaction models for CO-oxidation on 1D and 2D periodic arrays of surface adsorption sites. The models are motivated by studies of CO-oxidation on RuO 2(110) at high-pressures. Although adspecies interactions are neglected, the effective absence of adspecies diffusion results in kinetically-induced spatial correlations. A transition occurs from a random mainly CO-populated steady-state at high CO-partial pressure p CO, to a strongly-correlated near-O-covered steady-state for low p CO as noted. In addition, we identify a second transition to a random near-O-covered steady-state at very low p CO.

Stellar Obliquity and Magnetic Activity of Planet-hosting Stars and Eclipsing Binaries Based on Transit Chord Correlation

NASA Astrophysics Data System (ADS)

Dai, Fei; Winn, Joshua N.; Berta-Thompson, Zachory; Sanchis-Ojeda, Roberto; Albrecht, Simon

2018-04-01

The light curve of an eclipsing system shows anomalies whenever the eclipsing body passes in front of active regions on the eclipsed star. In some cases, the pattern of anomalies can be used to determine the obliquity Ψ of the eclipsed star. Here we present a method for detecting and analyzing these patterns, based on a statistical test for correlations between the anomalies observed in a sequence of eclipses. Compared to previous methods, ours makes fewer assumptions and is easier to automate. We apply it to a sample of 64 stars with transiting planets and 24 eclipsing binaries for which precise space-based data are available, and for which there was either some indication of flux anomalies or a previously reported obliquity measurement. We were able to determine obliquities for 10 stars with hot Jupiters. In particular we found Ψ ≲ 10° for Kepler-45, which is only the second M dwarf with a measured obliquity. The other eight cases are G and K stars with low obliquities. Among the eclipsing binaries, we were able to determine obliquities in eight cases, all of which are consistent with zero. Our results also reveal some common patterns of stellar activity for magnetically active G and K stars, including persistently active longitudes.

Crossover transition in the fluctuation of Internet

NASA Astrophysics Data System (ADS)

Qian, Jiang-Hai

2018-06-01

The inconsistent fluctuation behavior of Internet predicted by preferential attachment(PA) and Gibrat's law requires empirical investigations on the actual system. By using the interval-tunable Gibrat's law statistics, we find the actual fluctuation, characterized by the conditional standard deviation of the degree growth rate, changes with the interval length and displays a crossover transition from PA type to Gibrat's law type, which has not yet been captured by any previous models. We characterize the transition dynamics quantitatively and determine the applicative range of PA and Gibrat's law. The correlation analysis indicates the crossover transition may be attributed to the accumulative correlation between the internal links.

Describing a Strongly Correlated Model System with Density Functional Theory.

PubMed

Kong, Jing; Proynov, Emil; Yu, Jianguo; Pachter, Ruth

2017-07-06

The linear chain of hydrogen atoms, a basic prototype for the transition from a metal to Mott insulator, is studied with a recent density functional theory model functional for nondynamic and strong correlation. The computed cohesive energy curve for the transition agrees well with accurate literature results. The variation of the electronic structure in this transition is characterized with a density functional descriptor that yields the atomic population of effectively localized electrons. These new methods are also applied to the study of the Peierls dimerization of the stretched even-spaced Mott insulator to a chain of H 2 molecules, a different insulator. The transitions among the two insulating states and the metallic state of the hydrogen chain system are depicted in a semiquantitative phase diagram. Overall, we demonstrate the capability of studying strongly correlated materials with a mean-field model at the fundamental level, in contrast to the general pessimistic view on such a feasibility.

Nanotextured phase coexistence in the correlated insulator V2O3

NASA Astrophysics Data System (ADS)

McLeod, Alexander

The Mott insulator-metal transition remains among the most studied phenomena in correlated electron physics. However, the formation of spontaneous spatial patterns amidst coexisting insulating and metallic phases remains poorly explored on the meso- and nanoscales. Here we present real-space evolution of the insulator-metal transition in a thin film of V2O3, the ``canonical'' Mott insulator, imaged at high spatial resolution by cryogenic near-field infrared microscopy. We resolve spontaneously nanotextured coexistence of metal and correlated Mott insulator phases near the insulator-metal transition (T = 160-180 K) associated with percolation and an underlying structural phase transition. Augmented with macroscopic temperature-resolved X-ray diffraction measurements of the same film, a quantitative analysis of nano-infrared images acquired across the transition suggests decoupling of electronic and structural transformations. Persistent low-temperature metallicity is accompanied by unconventional dimensional scaling among metallic ``puddles,'' implicating relevance of a long-range Coulombic interaction through the film's first-order insulator-metal transition. The speaker and co-authors acknowledge support from DOE-DE-SC0012375, DOE-DE-SC0012592, and AFOSR Grant No. FA9550-12-1-0381. The speaker also acknowledges support from a US Dept. of Energy Office of Science Graduate Fellowship (DOE SCGF).

Results of correlations for transition location on a clean-up glove installed on an F-14 aircraft and design studies for a laminar glove for the X-29 aircraft accounting for spanwise pressure gradient

NASA Technical Reports Server (NTRS)

Goradia, S. H.; Bobbitt, P. J.; Morgan, H. L.; Ferris, J. C.; Harvey, William D.

1989-01-01

Results of correlative and design studies for transition location, laminar and turbulent boundary-layer parameters, and wake drag for forward swept and aft swept wings are presented. These studies were performed with the use of an improved integral-type boundary-layer and transition-prediction methods. Theoretical predictions were compared with flight measurements at subsonic and transonic flow conditions for the variable aft swept wing F-14 aircraft for which experimental pressure distributions, transition locations, and turbulent boundary-layer velocity profiles were measured. Flight data were available at three spanwise stations for several values of sweep, freestream unit Reynolds number, Mach numbers, and lift coefficients. Theory/experiment correlations indicate excellent agreement for both transition location and turbulent boundary-layer parameters. The results of parametric studies performed during the design of a laminar glove for the forward swept wing X-29 aircraft are also presented. These studies include the effects of a spanwise pressure gradient on transition location and wake drag for several values of freestream Reynolds numbers at a freestream Mach number of 0.9.

Structural and phase transitions of one and two polymer mushrooms in poor solvent

NASA Astrophysics Data System (ADS)

Yang, Delian; Wang, Qiang

2014-05-01

Using the recently proposed fast lattice Monte Carlo (FLMC) simulations and the corresponding lattice self-consistent field (LSCF) calculations based on the same model system, where multiple occupancy of lattice sites is allowed [Q. Wang, Soft Matter 5, 4564 (2009); Q. Wang, Soft Matter 5, 6206 (2010)], we studied the coil-globule transition (CGT) of one-mushroom systems and the fused-separated transition (FST) of two-mushroom systems, where a polymer mushroom is formed by a group of n homopolymer chains each of N segments end-grafted at the same point onto a flat substrate and immersed in a poor solvent. With our soft potential that allows complete particle overlapping, LSCF theory neglecting the system fluctuations/correlations becomes exact in the limit of n → ∞, and FLMC results approach LSCF predictions with increasing n. Using LSCF calculations, we systematically constructed the phase diagrams of one- and two-mushroom systems. A second-order symmetric-asymmetric transition (SAT) was found in the globule state of one-mushroom systems, where the rotational symmetry around the substrate normal passing through the grafting point is broken in each individual configuration but preserved by the degeneracy of different orientations of these asymmetric configurations. Three different states were also found in two-mushroom systems: separated coils, separated globules, and fused globule. We further studied the coupling between FST in two-mushroom systems and CGT and SAT of each mushroom. Finally, direct comparisons between our simulation and theoretical results, without any parameter-fitting, unambiguously and quantitatively revealed the fluctuation/correlation effects on these phase transitions.

Electronic origin of structural transition in 122 Fe based superconductors

NASA Astrophysics Data System (ADS)

Ghosh, Haranath; Sen, Smritijit; Ghosh, Abyay

2017-03-01

Direct quantitative correlations between the orbital order and orthorhombicity is achieved in a number of Fe-based superconductors of 122 family. The former (orbital order) is calculated from first principles simulations using experimentally determined doping and temperature dependent structural parameters while the latter (the orthorhombicity) is taken from already established experimental studies; when normalized, both the above quantities quantitatively corresponds to each other in terms of their doping as well as temperature variations. This proves that the structural transition in Fe-based materials is electronic in nature due to orbital ordering. An universal correlations among various structural parameters and electronic structure are also obtained. Most remarkable among them is the mapping of two Fe-Fe distances in the low temperature orthorhombic phase, with the band energies Edxz, Edyz of Fe at the high symmetry points of the Brillouin zone. The fractional co-ordinate zAs of As which essentially determines anion height is inversely (directly) proportional to Fe-As bond distances (with exceptions of K doped BaFe2As2) for hole (electron) doped materials as a function of doping. On the other hand, Fe-As bond-distance is found to be inversely (directly) proportional to the density of states at the Fermi level for hole (electron) doped systems. Implications of these results to current issues of Fe based superconductivity are discussed.

Ab initio theory of noble gas atoms in bcc transition metals.

PubMed

Jiang, Chao; Zhang, Yongfeng; Gao, Yipeng; Gan, Jian

2018-06-18

Systematic ab initio calculations based on density functional theory have been performed to gain fundamental understanding of the interactions between noble gas atoms (He, Ne, Ar and Kr) and bcc transition metals in groups 5B (V, Nb and Ta), 6B (Cr, Mo and W) and 8B (Fe). Our charge density analysis indicates that the strong polarization of nearest-neighbor metal atoms by noble gas interstitials is the electronic origin of their high formation energies. Such polarization becomes more significant with an increasing gas atom size and interstitial charge density in the host bcc metal, which explains the similar trend followed by the unrelaxed formation energies of noble gas interstitials. Upon allowing for local relaxation, nearby metal atoms move farther away from gas interstitials in order to decrease polarization, albeit at the expense of increasing the elastic strain energy. Such atomic relaxation is found to play an important role in governing both the energetics and site preference of noble gas atoms in bcc metals. Our most notable finding is that the fully relaxed formation energies of noble gas interstitials are strongly correlated with the elastic shear modulus of the bcc metal, and the physical origin of this unexpected correlation has been elucidated by our theoretical analysis based on the effective-medium theory. The kinetic behavior of noble gas atoms and their interaction with pre-existing vacancies in bcc transition metals have also been discussed in this work.

Correlations in fertility across generations: can low fertility persist?

PubMed

Kolk, Martin; Cownden, Daniel; Enquist, Magnus

2014-03-22

Correlations in family size across generations could have a major influence on human population size in the future. Empirical studies have shown that the associations between the fertility of parents and the fertility of children are substantial and growing over time. Despite their potential long-term consequences, intergenerational fertility correlations have largely been ignored by researchers. We present a model of the fertility transition as a cultural process acting on new lifestyles associated with fertility. Differences in parental and social influences on the acquisition of these lifestyles result in intergenerational correlations in fertility. We show different scenarios for future population size based on models that disregard intergenerational correlations in fertility, models with fertility correlations and a single lifestyle, and models with fertility correlations and multiple lifestyles. We show that intergenerational fertility correlations will result in an increase in fertility over time. However, present low-fertility levels may persist if the rapid introduction of new cultural lifestyles continues into the future.

Correlations in fertility across generations: can low fertility persist?

PubMed Central

Kolk, Martin; Cownden, Daniel; Enquist, Magnus

2014-01-01

Correlations in family size across generations could have a major influence on human population size in the future. Empirical studies have shown that the associations between the fertility of parents and the fertility of children are substantial and growing over time. Despite their potential long-term consequences, intergenerational fertility correlations have largely been ignored by researchers. We present a model of the fertility transition as a cultural process acting on new lifestyles associated with fertility. Differences in parental and social influences on the acquisition of these lifestyles result in intergenerational correlations in fertility. We show different scenarios for future population size based on models that disregard intergenerational correlations in fertility, models with fertility correlations and a single lifestyle, and models with fertility correlations and multiple lifestyles. We show that intergenerational fertility correlations will result in an increase in fertility over time. However, present low-fertility levels may persist if the rapid introduction of new cultural lifestyles continues into the future. PMID:24478294

Quantifying Complexity in Quantum Phase Transitions via Mutual Information Complex Networks

NASA Astrophysics Data System (ADS)

Valdez, Marc Andrew; Jaschke, Daniel; Vargas, David L.; Carr, Lincoln D.

2017-12-01

We quantify the emergent complexity of quantum states near quantum critical points on regular 1D lattices, via complex network measures based on quantum mutual information as the adjacency matrix, in direct analogy to quantifying the complexity of electroencephalogram or functional magnetic resonance imaging measurements of the brain. Using matrix product state methods, we show that network density, clustering, disparity, and Pearson's correlation obtain the critical point for both quantum Ising and Bose-Hubbard models to a high degree of accuracy in finite-size scaling for three classes of quantum phase transitions, Z2, mean field superfluid to Mott insulator, and a Berzinskii-Kosterlitz-Thouless crossover.

Bypass transition to turbulence and research Desiderata

NASA Technical Reports Server (NTRS)

Morkovin, M. V.

1985-01-01

Bypass transitions are seldom mentioned in texts or meetings on instability and transition to wall turbulence. The nature of a number of bypass transitions is illustrated by example. Until this characteristics is truly understood predicting transition on the basis of theory or statistically inadequate correlations (as they all are) entails risks that should be considered in justifying any design involving transition. A historical overview of bypass transition identified on blunt bodies is given.

Non-Gaussian lineshapes and dynamics of time-resolved linear and nonlinear (correlation) spectra.

PubMed

Dinpajooh, Mohammadhasan; Matyushov, Dmitry V

2014-07-17

Signatures of nonlinear and non-Gaussian dynamics in time-resolved linear and nonlinear (correlation) 2D spectra are analyzed in a model considering a linear plus quadratic dependence of the spectroscopic transition frequency on a Gaussian nuclear coordinate of the thermal bath (quadratic coupling). This new model is contrasted to the commonly assumed linear dependence of the transition frequency on the medium nuclear coordinates (linear coupling). The linear coupling model predicts equality between the Stokes shift and equilibrium correlation functions of the transition frequency and time-independent spectral width. Both predictions are often violated, and we are asking here the question of whether a nonlinear solvent response and/or non-Gaussian dynamics are required to explain these observations. We find that correlation functions of spectroscopic observables calculated in the quadratic coupling model depend on the chromophore's electronic state and the spectral width gains time dependence, all in violation of the predictions of the linear coupling models. Lineshape functions of 2D spectra are derived assuming Ornstein-Uhlenbeck dynamics of the bath nuclear modes. The model predicts asymmetry of 2D correlation plots and bending of the center line. The latter is often used to extract two-point correlation functions from 2D spectra. The dynamics of the transition frequency are non-Gaussian. However, the effect of non-Gaussian dynamics is limited to the third-order (skewness) time correlation function, without affecting the time correlation functions of higher order. The theory is tested against molecular dynamics simulations of a model polar-polarizable chromophore dissolved in a force field water.

The effect of thickness on fatigue crack propagation in 7475-T731 aluminum alloy sheet

NASA Technical Reports Server (NTRS)

Daiuto, R. A.; Hillberry, B. M.

1984-01-01

Tests were conducted on three thicknesses of 7475-T731 aluminum alloy sheet to investigate the effect of thickness on fatigue crack propagation under constant amplitude loading conditions and on retardation following a single peak overload. Constant amplitude loading tests were performed at stress ratios of 0.05 and 0.75 to obtain data for conditions with crack closure and without crack closure, respectively. At both stress ratios a thickness effect was clearly evident, with thicker specimens exhibiting higher growth rates in the transition from plane strain to plane stress region. The effect of thickness for a stress ratio of 0.05 corresponded well with the fracturing mode transitions observed on the specimens. A model based on the strain energy release rate which accounted for the fracture mode transition was found to correlate the thickness effects well. The specimens tested at the stress ratio of 0.75 did not make the transition from tensile mode to shear mode, indicating that another mechanism besides crack closure or fracture mode transition was active.

Numerical Study of Rarefied Hypersonic Flow Interacting with a Continuum Jet. Degree awarded by Pennsylvania State Univ., Aug. 1999

NASA Technical Reports Server (NTRS)

Glass, Christopher E.

2000-01-01

An uncoupled Computational Fluid Dynamics-Direct Simulation Monte Carlo (CFD-DSMC) technique is developed and applied to provide solutions for continuum jets interacting with rarefied external flows. The technique is based on a correlation of the appropriate Bird breakdown parameter for a transitional-rarefied condition that defines a surface within which the continuum solution is unaffected by the external flow-jet interaction. The method is applied to two problems to assess and demonstrate its validity; one of a jet interaction in the transitional-rarefied flow regime and the other in the moderately rarefied regime. Results show that the appropriate Bird breakdown surface for uncoupling the continuum and non-continuum solutions is a function of a non-dimensional parameter relating the momentum flux and collisionality between the two interacting flows. The correlation is exploited for the simulation of a jet interaction modeled for an experimental condition in the transitional-rarefied flow regime and the validity of the correlation is demonstrated. The uncoupled technique is also applied to an aerobraking flight condition for the Mars Global Surveyor spacecraft with attitude control system jet interaction. Aerodynamic yawing moment coefficients for cases without and with jet interaction at various angles-of-attack were predicted, and results from the present method compare well with values published previously. The flow field and surface properties are analyzed in some detail to describe the mechanism by which the jet interaction affects the aerodynamics.

Initiation of sleep-dependent cortical-hippocampal correlations at wakefulness-sleep transition.

PubMed

Haggerty, Daniel C; Ji, Daoyun

2014-10-01

Sleep is involved in memory consolidation. Current theories propose that sleep-dependent memory consolidation requires active communication between the hippocampus and neocortex. Indeed, it is known that neuronal activities in the hippocampus and various neocortical areas are correlated during slow-wave sleep. However, transitioning from wakefulness to slow-wave sleep is a gradual process. How the hippocampal-cortical correlation is established during the wakefulness-sleep transition is unknown. By examining local field potentials and multiunit activities in the rat hippocampus and visual cortex, we show that the wakefulness-sleep transition is characterized by sharp-wave ripple events in the hippocampus and high-voltage spike-wave events in the cortex, both of which are accompanied by highly synchronized multiunit activities in the corresponding area. Hippocampal ripple events occur earlier than the cortical high-voltage spike-wave events, and hippocampal ripple incidence is attenuated by the onset of cortical high-voltage spike waves. This attenuation leads to a temporary weak correlation in the hippocampal-cortical multiunit activities, which eventually evolves to a strong correlation as the brain enters slow-wave sleep. The results suggest that the hippocampal-cortical correlation is established through a concerted, two-step state change that first synchronizes the neuronal firing within each brain area and then couples the synchronized activities between the two regions. Copyright © 2014 the American Physiological Society.

Topological Phase Transitions in Zinc-Blende Semimetals Driven Exclusively by Electronic Temperature

NASA Astrophysics Data System (ADS)

Trushin, Egor; Görling, Andreas

2018-04-01

We show that electronic phase transitions in zinc-blende semimetals with quadratic band touching (QBT) at the center of the Brillouin zone, like GaBi, InBi, or HgTe, can occur exclusively due to a change of the electronic temperature without the need to involve structural transformations or electron-phonon coupling. The commonly used Kohn-Sham density-functional methods based on local and semilocal density functionals employing the local density approximation (LDA) or generalized gradient approximations (GGAs), however, are not capable of describing such phenomena because they lack an intrinsic temperature dependence and account for temperature only via the occupation of bands, which essentially leads only to a shift of the Fermi level without changing the shape or topology of bands. Kohn-Sham methods using the exact temperature-dependent exchange potential, not to be confused with the Hartree-Fock exchange potential, on the other hand, describe such phase transitions. A simple modeling of correlation effects can be achieved by screening of the exchange. In the considered zinc-blende compounds the QBT is unstable at low temperatures and a transition to electronic states without QBT takes place. In the case of HgTe and GaBi Weyl points of type I and type II, respectively, emerge during the transitions. This demonstrates that Kohn-Sham methods can describe such topological phase transitions provided they are based on functionals more accurate than those within the LDA or GGA. Moreover, the electronic temperature is identified as a handle to tune topological materials.

Electrophilic assistance to the cleavage of an RNA model phopshodiester via specific and general base-catalyzed mechanisms.

PubMed

Corona-Martínez, David Octavio; Gomez-Tagle, Paola; Yatsimirsky, Anatoly K

2012-10-19

Kinetics of transesterification of the RNA model substrate 2-hydroxypropyl 4-nitrophenyl phosphate promoted by Mg(2+) and Ca(2+), the most common biological metals acting as cofactors for nuclease enzymes and ribozymes, as well as by Co(NH(3))(6)(3+), Co(en)(3)(3+), Li(+), and Na(+) cations, often employed as mechanistic probes, was studied in 80% v/v (50 mol %) aqueous DMSO, a medium that allows one to discriminate easily specific base (OH(-)-catalyzed) and general base (buffer-catalyzed) reaction paths. All cations assist the specific base reaction, but only Mg(2+) and Na(+) assist the general base reaction. For Mg(2+)-assisted reactions, the solvent deuterium isotope effects are 1.23 and 0.25 for general base and specific base mechanisms, respectively. Rate constants for Mg(2+)-assisted general base reactions measured with different bases fit the Brønsted correlation with a slope of 0.38, significantly lower than the slope for the unassisted general base reaction (0.77). Transition state binding constants for catalysts in the specific base reaction (K(‡)(OH)) both in aqueous DMSO and pure water correlate with their binding constants to 4-nitrophenyl phosphate dianion (K(NPP)) used as a minimalist transition state model. It was found that K(‡)(OH) ≈ K(NPP) for "protic" catalysts (Co(NH(3))(6)(3+), Co(en)(3)(3+), guanidinium), but K(‡)(OH) ≫ K(NPP) for Mg(2+) and Ca(2+) acting as Lewis acids. It appears from results of this study that Mg(2+) is unique in its ability to assist efficiently the general base-catalyzed transesterification often occurring in active sites of nuclease enzymes and ribozymes.

Consumers don’t play dice, influence of social networks and advertisements

NASA Astrophysics Data System (ADS)

Groot, Robert D.

2006-05-01

Empirical data of supermarket sales show stylised facts that are similar to stock markets, with a broad (truncated) Lévy distribution of weekly sales differences in the baseline sales [R.D. Groot, Physica A 353 (2005) 501]. To investigate the cause of this, the influence of social interactions and advertisements are studied in an agent-based model of consumers in a social network. The influence of network topology was varied by using a small-world network, a random network and a Barabási-Albert network. The degree to which consumers value the opinion of their peers was also varied. On a small-world and random network we find a phase transition between an open market and a locked-in market that is similar to condensation in liquids. At the critical point, fluctuations become large and buying behaviour is strongly correlated. However, on the small world network the noise distribution at the critical point is Gaussian, and critical slowing down occurs which is not observed in supermarket sales. On a scale-free network, the model shows a transition between a gas-like phase and a glassy state, but at the transition point the noise amplitude is much larger than what is seen in supermarket sales. To explore the role of advertisements, a model is studied where imprints are placed on the minds of consumers that ripen when a decision for a product is made. The correct distribution of weekly sales returns follows naturally from this model, as well as the noise amplitude, the correlation time and cross-correlation of sales fluctuations. For particular parameter values, simulated sales correlation shows power-law decay in time. The model predicts that social interaction helps to prevent aversion, and that products are viewed more positively when their consumption rate is higher.

Ballistocardiogram as Proximal Timing Reference for Pulse Transit Time Measurement: Potential for Cuffless Blood Pressure Monitoring

PubMed Central

Kim, Chang-Sei; Carek, Andrew M.; Mukkamala, Ramakrishna; Inan, Omer T.; Hahn, Jin-Oh

2015-01-01

Goal We tested the hypothesis that the ballistocardiogram (BCG) waveform could yield a viable proximal timing reference for measuring pulse transit time (PTT). Methods From fifteen healthy volunteers, we measured PTT as the time interval between BCG and a non-invasively measured finger blood pressure (BP) waveform. To evaluate the efficacy of the BCG-based PTT in estimating BP, we likewise measured pulse arrival time (PAT) using the electrocardiogram (ECG) as proximal timing reference and compared their correlations to BP. Results BCG-based PTT was correlated with BP reasonably well: the mean correlation coefficient (r) was 0.62 for diastolic (DP), 0.65 for mean (MP) and 0.66 for systolic (SP) pressures when the intersecting tangent method was used as distal timing reference. Comparing four distal timing references (intersecting tangent, maximum second derivative, diastolic minimum and systolic maximum), PTT exhibited the best correlation with BP when the systolic maximum method was used (mean r value was 0.66 for DP, 0.67 for MP and 0.70 for SP). PTT was more strongly correlated with DP than PAT regardless of the distal timing reference: mean r value was 0.62 versus 0.51 (p=0.07) for intersecting tangent, 0.54 versus 0.49 (p=0.17) for maximum second derivative, 0.58 versus 0.52 (p=0.37) for diastolic minimum, and 0.66 versus 0.60 (p=0.10) for systolic maximum methods. The difference between PTT and PAT in estimating DP was significant (p=0.01) when the r values associated with all the distal timing references were compared altogether. However, PAT appeared to outperform PTT in estimating SP (p=0.31 when the r values associated with all the distal timing references were compared altogether). Conclusion We conclude that BCG is an adequate proximal timing reference in deriving PTT, and that BCG-based PTT may be superior to ECG-based PAT in estimating DP. Significance PTT with BCG as proximal timing reference has potential to enable convenient and ubiquitous cuffless BP monitoring. PMID:26054058

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.

Glass-Transition Temperature of the β-Relaxation as the Major Predictive Parameter for Recrystallization of Neat Amorphous Drugs.

PubMed

Kissi, Eric Ofosu; Grohganz, Holger; Löbmann, Korbinian; Ruggiero, Michael T; Zeitler, J Axel; Rades, Thomas

2018-03-15

Recrystallization of amorphous drugs is currently limiting the simple approach to improve solubility and bioavailability of poorly water-soluble drugs by amorphization of a crystalline form of the drug. In view of this, molecular mobility, α-relaxation and β-relaxation processes with the associated transition temperatures T gα and T gβ , was investigated using dynamic mechanical analysis (DMA). The correlation between the transition temperatures and the onset of recrystallization for nine amorphous drugs, stored under dry conditions at a temperature of 296 K, was determined. From the results obtained, T gα does not correlate with the onset of recrystallization under the experimental storage conditions. However, a clear correlation between T gβ and the onset of recrystallization was observed. It is shown that at storage temperature below T gβ , amorphous nifedipine retains its amorphous form. On the basis of the correlation, an empirical correlation is proposed for predicting the onset of recrystallization for drugs stored at 0% RH and 296 K.

Resonant inelastic x-ray scattering study of charge excitations in superconducting and nonsuperconducting PrFeAsO₁₋ y

DOE PAGES

Jarrige, I.; Nomura, T.; Ishii, K.; ...

2012-09-05

We report the first observation by momentum-resolved resonant inelastic x-ray scattering of charge excitations in an iron-based superconductor and its parent compound, PrFeAsO₀.₇ and PrFeAsO, respectively, with two main results. First, using calculations based on a 16-band dp model, we show that the energy of the lowest-lying excitations, identified as dd interband transitions of dominant xz,yz orbital character, exhibits a dramatic dependence on electron correlation. This enables us to estimate the Coulomb repulsion U and Hund's coupling J, and to highlight the role played by J in these peculiar orbital-dependent electron correlation effects. Second, we show that short-range antiferromagnetic correlations,more » which are a prerequisite to the occurrence of these excitations at the Γ point, are still present in the superconducting state.« less

The pair correlation function of krypton in the critical region: theory and experiment

NASA Astrophysics Data System (ADS)

Barocchi, F.; Chieux, P.; Fontana, R.; Magli, R.; Meroni, A.; Parola, A.; Reatto, L.; Tau, M.

1997-10-01

We present the results of high-precision measurements of the structure factor S(k) of krypton in the near-critical region of the liquid - vapour phase transition for values of k ranging from 1.5 up to 0953-8984/9/42/003/img15. The experimental results are compared with a theoretical calculation based on the hierarchical reference theory (HRT) with an accurate potential which includes two- and three-body contributions. The theory is based on a new implementation of HRT in which we avoid the use of hard spheres as a reference system. With this soft-core formulation we find a generally good agreement with experiments both at large k, where S(k) probes the short-range correlations, as well as at small k, where critical fluctuations become dominant. Also, for the density derivative of the pair correlation function there is an overall good agreement between theory and experiment.

Computational discovery of lanthanide doped and Co-doped Y{sub 3}Al{sub 5}O{sub 12} for optoelectronic applications

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

Choudhary, Kamal; Chernatynskiy, Aleksandr; Phillpot, Simon R.

2015-09-14

We systematically elucidate the optoelectronic properties of rare-earth doped and Ce co-doped yttrium aluminum garnet (YAG) using hybrid exchange-correlation functional based density functional theory. The predicted optical transitions agree with the experimental observations for single doped Ce:YAG, Pr:YAG, and co-doped Er,Ce:YAG. We find that co-doping of Ce-doped YAG with any lanthanide except Eu and Lu lowers the transition energies; we attribute this behavior to the lanthanide-induced change in bonding environment of the dopant atoms. Furthermore, we find infrared transitions only in case of the Er, Tb, and Tm co-doped Ce:YAG and suggest Tm,Ce:YAG and Tb,Ce:YAG as possible functional materials formore » efficient spectral up-conversion devices.« less

The Triassic-Jurassic boundary in eastern North America

NASA Technical Reports Server (NTRS)

Olsen, P. E.; Comet, B.

1988-01-01

Rift basins of the Atlantic passive margin in eastern North America are filled with thousands of meters of continental rocks termed the Newark Supergroup which provide an unprecedented opportunity to examine the fine scale structure of the Triassic-Jurassic mass extinction in continental environments. Time control, vital to the understanding of the mechanisms behind mass extinctions, is provided by lake-level cycles apparently controlled by orbitally induced climate change allowing resolution at the less than 21,000 year level. Correlation with other provinces is provided by a developing high resolution magnetostratigraphy and palynologically-based biostratigraphy. A large number of at least local vertebrate and palynomorph extinctions are concentrated around the boundary with survivors constituting the earliest Jurassic assemblages, apparently without the introduction of new taxa. The palynofloral transition is marked by the dramatic elimination of a relatively high diversity Triassic pollen assemblage with the survivors making up a Jurassic assemblage of very low diversity overwhelmingly dominated by Corollina. Based principally on palynological correlations, the hypothesis that these continental taxonomic transitions were synchronous with the massive Triassic-Jurassic marine extinctions is strongly corroborated. An extremely rapid, perhaps catastrophic, taxonomic turnover at the Triassic-Jurassic boundary, synchronous in continental and marine realms is hypothesized and discussed.

Coherent control of the route of magnetic phases in quasi-1D armchair graphene nanoribbons via doping in the presence of electronic correlations

NASA Astrophysics Data System (ADS)

Dinh Hoi, Bui; Yarmohammadi, Mohsen; Davoudiniya, Masoumeh

2018-03-01

In this work, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons would be observed in the presence of electronic dopant. However, the mutual interactions between electrons are also considered based on theoretically tight-binding and Hubbard model calculations considering nearest neighbors within the framework of Green's function technique. This work showed that charge concentration of dopant in such system depending on the weak and strong mutual repulsions plays a crucial role in determining the magnetic phase. It follows from the obtained results that the ground state turns paramagnetic in a range of carrier concentrations by neglecting the electronic correlations. The inclusion of a Coulombic repulsion between electrons stops the phase transition and system remains in its ground state antiferromagnetic phase. Furthermore, we concluded that magnetic phases are insensitive to the electron-electron interaction at all weak and strong concentrations of dopant. In addition, this paper provides a controllable gap engineering by doping and inclusion of electron-electron repulsions for further studies on such system as a new potential nanomaterial for magnetic graphene nanoribbon-based applications.

On the nature of a glassy state of matter in a hydrated protein: Relation to protein function.

PubMed

Teeter, M M; Yamano, A; Stec, B; Mohanty, U

2001-09-25

Diverse biochemical and biophysical experiments indicate that all proteins, regardless of size or origin, undergo a dynamic transition near 200 K. The cause of this shift in dynamic behavior, termed a "glass transition," and its relation to protein function are important open questions. One explanation postulated for the transition is solidification of correlated motions in proteins below the transition. We verified this conjecture by showing that crambin's radius of gyration (Rg) remains constant below approximately 180 K. We show that both atom position and dynamics of protein and solvent are physically coupled, leading to a novel cooperative state. This glassy state is identified by negative slopes of the Debye-Waller (B) factor vs. temperature. It is composed of multisubstate side chains and solvent. Based on generalization of Adam-Gibbs' notion of a cooperatively rearranging region and decrease of the total entropy with temperature, we calculate the slope of the Debye-Waller factor. The results are in accord with experiment.

Critical space-time networks and geometric phase transitions from frustrated edge antiferromagnetism

NASA Astrophysics Data System (ADS)

Trugenberger, Carlo A.

2015-12-01

Recently I proposed a simple dynamical network model for discrete space-time that self-organizes as a graph with Hausdorff dimension dH=4 . The model has a geometric quantum phase transition with disorder parameter (dH-ds) , where ds is the spectral dimension of the dynamical graph. Self-organization in this network model is based on a competition between a ferromagnetic Ising model for vertices and an antiferromagnetic Ising model for edges. In this paper I solve a toy version of this model defined on a bipartite graph in the mean-field approximation. I show that the geometric phase transition corresponds exactly to the antiferromagnetic transition for edges, the dimensional disorder parameter of the former being mapped to the staggered magnetization order parameter of the latter. The model has a critical point with long-range correlations between edges, where a continuum random geometry can be defined, exactly as in Kazakov's famed 2D random lattice Ising model but now in any number of dimensions.

Disentangled Cooperative Orderings in Artificial Rare-Earth Nickelates

DOE PAGES

Middey, S.; Meyers, D.; Kareev, M.; ...

2018-04-09

Coupled transitions between distinct ordered phases are important aspects behind the rich phase complexity of correlated oxides that hinder our understanding of the underlying phenomena. For this reason, fundamental control over complex transitions has become a leading motivation of the designer approach to materials. We have devised a series of new superlattices by combining a Mott insulator and a correlated metal to form ultrashort period superlattices, which allow one to disentangle the simultaneous orderings in RENiO 3. Tailoring an incommensurate heterostructure period relative to the bulk charge ordering pattern suppresses the charge order transition while preserving metal-insulator and antiferromagnetic transitions.more » Such selective decoupling of the entangled phases resolves the long-standing puzzle about the driving force behind the metal-insulator transition and points to the site-selective Mott transition as the operative mechanism. In conclusion, this designer approach emphasizes the potential of heterointerfaces for selective control of simultaneous transitions in complex materials with entwined broken symmetries.« less

Structural γ-ε phase transition in Fe-Mn alloys from a CPA  +  DMFT approach.

PubMed

Belozerov, A S; Poteryaev, A I; Skornyakov, S L; Anisimov, V I

2015-11-25

We present a computational scheme for total energy calculations of disordered alloys with strong electronic correlations. It employs the coherent potential approximation combined with the dynamical mean-field theory and allows one to study the structural transformations. The material-specific Hamiltonians in the Wannier function basis are obtained by density functional theory. The proposed computational scheme is applied to study the γ-ε structural transition in paramagnetic Fe-Mn alloys for Mn content from 10 to 20 at.%. The electronic correlations are found to play a crucial role in this transition. The calculated transition temperature decreases with increasing Mn content and is in good agreement with experiment. We demonstrate that in contrast to the α-γ transition in pure iron, the γ-ε transition in Fe-Mn alloys is driven by a combination of kinetic and Coulomb energies. The latter is found to be responsible for the decrease of the γ-ε transition temperature with Mn content.

Disentangled Cooperative Orderings in Artificial Rare-Earth Nickelates

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

Middey, S.; Meyers, D.; Kareev, M.

Coupled transitions between distinct ordered phases are important aspects behind the rich phase complexity of correlated oxides that hinder our understanding of the underlying phenomena. For this reason, fundamental control over complex transitions has become a leading motivation of the designer approach to materials. We have devised a series of new superlattices by combining a Mott insulator and a correlated metal to form ultrashort period superlattices, which allow one to disentangle the simultaneous orderings in RENiO 3. Tailoring an incommensurate heterostructure period relative to the bulk charge ordering pattern suppresses the charge order transition while preserving metal-insulator and antiferromagnetic transitions.more » Such selective decoupling of the entangled phases resolves the long-standing puzzle about the driving force behind the metal-insulator transition and points to the site-selective Mott transition as the operative mechanism. In conclusion, this designer approach emphasizes the potential of heterointerfaces for selective control of simultaneous transitions in complex materials with entwined broken symmetries.« less

Lateral Variations of Interplate Coupling along the Mexican Subduction Interface: Relationships with Long-Term Morphology and Fault Zone Mechanical Properties

NASA Astrophysics Data System (ADS)

Rousset, Baptiste; Lasserre, Cécile; Cubas, Nadaya; Graham, Shannon; Radiguet, Mathilde; DeMets, Charles; Socquet, Anne; Campillo, Michel; Kostoglodov, Vladimir; Cabral-Cano, Enrique; Cotte, Nathalie; Walpersdorf, Andrea

2016-10-01

Although patterns of interseismic strain accumulation above subduction zones are now routinely characterised using geodetic measurements, their physical origin, persistency through time, and relationships to seismic hazard and long-term deformation are still debated. Here, we use GPS and morphological observations from southern Mexico to explore potential mechanical links between variations in inter-SSE (in between slow slip events) coupling along the Mexico subduction zone and the long-term topography of the coastal regions from Guerrero to Oaxaca. Inter-SSE coupling solutions for two different geometries of the subduction interface are derived from an inversion of continuous GPS time series corrected from slow slip events. They reveal strong along-strike variations in the shallow coupling (i.e. at depths down to 25 km), with high-coupling zones (coupling >0.7) alternating with low-coupling zones (coupling <0.3). Coupling below the continent is typically strong (>0.7) and transitions to uncoupled, steady slip at a relatively uniform ˜ 175-km inland from the trench. Along-strike variations in the coast-to-trench distances are strongly correlated with the GPS-derived forearc coupling variations. To explore a mechanical explanation for this correlation, we apply Coulomb wedge theory, constrained by local topographic, bathymetric, and subducting-slab slopes. Critical state areas, i.e. areas where the inner subduction wedge deforms, are spatially correlated with transitions at shallow depth between uncoupled and coupled areas of the subduction interface. Two end-member models are considered to explain the correlation between coast-to-trench distances and along-strike variations in the inter-SSE coupling. The first postulates that the inter-SSE elastic strain is partitioned between slip along the subduction interface and homogeneous plastic permanent deformation of the upper plate. In the second, permanent plastic deformation is postulated to depend on frictional transitions along the subduction plate interface. Based on the location and friction values of the critical state areas identified by our Coulomb wedge analysis, we parameterise frictional transitions in plastic-static models of deformation over several seismic cycles. This predicts strong shear dissipation above frictional transitions on the subduction interface. The comparison of modelled surface displacements over a critical zone at a frictional transition and over a stable area with no internal wedge deformation shows differences of long-term uplift consistent with the observed along-strike variations in the coast-to-trench distances. Our work favours a model in which frictional asperities partly control short-term inter-SSE coupling as measured by geodesy and in which those asperities persist through time.

Mott-Hubbard transition and Anderson localization: A generalized dynamical mean-field theory approach

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

Kuchinskii, E. Z.; Nekrasov, I. A.; Sadovskii, M. V.

The DOS, the dynamic (optical) conductivity, and the phase diagram of a strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT + {sigma} approximation). Strong correlations are taken into account by the DMFT, and disorder is taken into account via an appropriate generalization of the self-consistent theory of localization. The DMFT effective single-impurity problem is solved by a numerical renormalization group (NRG); we consider the three-dimensional system with a semielliptic DOS. The correlated metal, Mott insulator, and correlated Anderson insulator phases are identified via the evolution of the DOS and dynamicmore » conductivity, demonstrating both the Mott-Hubbard and Anderson metal-insulator transition and allowing the construction of the complete zero-temperature phase diagram of the Anderson-Hubbard model. Rather unusual is the possibility of a disorder-induced Mott insulator-to-metal transition.« less

Theoretical study of electron correlation effects in transition metal dimers

NASA Technical Reports Server (NTRS)

Das, G. P.; Jaffe, R. L.

1984-01-01

Introduction of partially localized orbitals is shown to reduce the number of terms needed to describe the bonding in transition metal clusters. Using this formalism, it is possible to compute the various intra- and inter-atomic electron correlation contributions to the bond energy. Calculations demonstrate the relative importance of several kinds of electron correlation terms involving the 3p, 3d, and 4s electrons. Improved interaction potentials are obtained for the dimers V(2) and Cr(2) when additional correlation is added to the CAS SCF results of Walch, Bauschlicher, Roos, and Nelin (1983).

Complex transition metal hydrides: linear correlation of countercation electronegativity versus T-D bond lengths.

PubMed

Humphries, T D; Sheppard, D A; Buckley, C E

2015-06-30

For homoleptic 18-electron complex hydrides, an inverse linear correlation has been established between the T-deuterium bond length (T = Fe, Co, Ni) and the average electronegativity of the metal countercations. This relationship can be further employed towards aiding structural solutions and predicting physical properties of novel complex transition metal hydrides.

Electronic correlation in magnetic contributions to structural energies

NASA Astrophysics Data System (ADS)

Haydock, Roger

For interacting electrons the density of transitions [see http://arxiv.org/abs/1405.2288] replaces the density of states in calculations of structural energies. Extending previous work on paramagnetic metals, this approach is applied to correlation effects on the structural stability of magnetic transition metals. Supported by the H. V. Snyder Gift to the University of Oregon.

Esophageal transit time in patients with chagasic megaesophagus: Lack of linear correlation between dysphagia and grade of dilatation.

PubMed

Martins, Paula; Ferreira, Cid Sergio; Cunha-Melo, José Renan

2018-03-01

The aim of this study was to determine the esophageal transit time in control individuals and in chagasic patients with or without megaesophagus.A total of 148 patients were allocated in 6 groups according to serological diagnostic of Chagas disease and the degree of esophageal dilatation: A, control healthy individuals (n = 34, 22.9%); B, indeterminate form (n = 23, 15.5%); C, megaesophagus I (n = 37, 25.0%); D, megaesophagus II (n = 19, 12.8%); E, megaesophagus III (n = 21, 14.2%); and F, megaesophagus IV (n = 14, 9.5%). After 8-hour fasting, patients were asked to swallow 75 mL of barium sulfate solution. x-Rays were obtained after 8, 30, 60, and 90 seconds, 5, 10, 30, 60, and 90 minutes, 2, 6, 12, 24 hours, and at every 12 hours until no more contrast was seen in the esophagus. This was the transit time.The transit time varied from 8 seconds to 36 hours (median = 90 seconds). A linear correlation was observed between transit time and megaesophagus grade: 8 seconds in groups A and B, 5 minutes in C, 30 minutes in D, 2 hours in E, and 9:15 hours in F. Dysphagia was not reported by 60 of 114 (52.6%) patients with positive serological tests for Chagas disease (37/91-40.7%-of patients with megaesophagus I-IV grades). The esophageal transit time increased with the grade of megaesophagus.The esophageal transit time has a direct correlation with the grade of megaesophagus; dysphagia complaint correlates with the grade of megaesophagus. However, many patients with megaesophagus do not report dysphagia.

Simulating Non-Fickian Transport across Péclet Regimes by doing Lévy Flights in the Rank Space of Velocity

NASA Astrophysics Data System (ADS)

Most, S.; Dentz, M.; Bolster, D.; Bijeljic, B.; Nowak, W.

2017-12-01

Transport in real porous media shows non-Fickian characteristics. In the Lagrangian perspective this leads to skewed distributions of particle arrival times. The skewness is triggered by particles' memory of velocity that persists over a characteristic length. Capturing process memory is essential to represent non-Fickianity thoroughly. Classical non-Fickian models (e.g., CTRW models) simulate the effects of memory but not the mechanisms leading to process memory. CTRWs have been applied successfully in many studies but nonetheless they have drawbacks. In classical CTRWs each particle makes a spatial transition for which each particle adapts a random transit time. Consecutive transit times are drawn independently from each other, and this is only valid for sufficiently large spatial transitions. If we want to apply a finer numerical resolution than that, we have to implement memory into the simulation. Recent CTRW methods use transitions matrices to simulate correlated transit times. However, deriving such transition matrices require transport data of a fine-scale transport simulation, and the obtained transition matrix is solely valid for this single Péclet regime. The CTRW method we propose overcomes all three drawbacks: 1) We simulate transport without restrictions in transition length. 2) We parameterize our CTRW without requiring a transport simulation. 3) Our parameterization scales across Péclet regimes. We do so by sampling the pore-scale velocity distribution to generate correlated transit times as a Lévy flight on the CDF-axis of velocities with reflection at 0 and 1. The Lévy flight is parametrized only by the correlation length. We explicitly model memory including the evolution and decay of non-Fickianity, so it extends from local via pre-asymptotic to asymptotic scales.

Correlation between average melting temperature and glass transition temperature in metallic glasses

NASA Astrophysics Data System (ADS)

Lu, Zhibin; Li, Jiangong

2009-02-01

The correlation between average melting temperature (⟨Tm⟩) and glass transition temperature (Tg) in metallic glasses (MGs) is analyzed. A linear relationship, Tg=0.385⟨Tm⟩, is observed. This correlation agrees with Egami's suggestion [Rep. Prog. Phys. 47, 1601 (1984)]. The prediction of Tg from ⟨Tm⟩ through the relationship Tg=0.385⟨Tm⟩ has been tested using experimental data obtained on a large number of MGs. This relationship can be used to predict and design MGs with a desired Tg.

Avalanche correlations in the martensitic transition of a Cu-Zn-Al shape memory alloy: analysis of acoustic emission and calorimetry.

PubMed

Baró, Jordi; Martín-Olalla, José-María; Romero, Francisco Javier; Gallardo, María Carmen; Salje, Ekhard K H; Vives, Eduard; Planes, Antoni

2014-03-26

The existence of temporal correlations during the intermittent dynamics of a thermally driven structural phase transition is studied in a Cu-Zn-Al alloy. The sequence of avalanches is observed by means of two techniques: acoustic emission and high sensitivity calorimetry. Both methods reveal the existence of event clustering in a way that is equivalent to the Omori correlations between aftershocks in earthquakes as are commonly used in seismology.

Cortical processing of dynamic sound envelope transitions.

PubMed

Zhou, Yi; Wang, Xiaoqin

2010-12-08

Slow envelope fluctuations in the range of 2-20 Hz provide important segmental cues for processing communication sounds. For a successful segmentation, a neural processor must capture envelope features associated with the rise and fall of signal energy, a process that is often challenged by the interference of background noise. This study investigated the neural representations of slowly varying envelopes in quiet and in background noise in the primary auditory cortex (A1) of awake marmoset monkeys. We characterized envelope features based on the local average and rate of change of sound level in envelope waveforms and identified envelope features to which neurons were selective by reverse correlation. Our results showed that envelope feature selectivity of A1 neurons was correlated with the degree of nonmonotonicity in their static rate-level functions. Nonmonotonic neurons exhibited greater feature selectivity than monotonic neurons in quiet and in background noise. The diverse envelope feature selectivity decreased spike-timing correlation among A1 neurons in response to the same envelope waveforms. As a result, the variability, but not the average, of the ensemble responses of A1 neurons represented more faithfully the dynamic transitions in low-frequency sound envelopes both in quiet and in background noise.

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

NASA Astrophysics Data System (ADS)

Karsten, Sven; Bokarev, Sergey I.; Aziz, Saadullah G.; Ivanov, Sergei D.; Kühn, Oliver

2017-06-01

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy.

PubMed

Karsten, Sven; Bokarev, Sergey I; Aziz, Saadullah G; Ivanov, Sergei D; Kühn, Oliver

2017-06-14

Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking nuclear dynamics and the associated nuclear correlations into account may be of importance for X-ray spectroscopy. Recently, we have developed an efficient protocol to account for nuclear dynamics in X-ray absorption and resonant inelastic X-ray scattering spectra [Karsten et al., J. Phys. Chem. Lett. 8, 992 (2017)], based on ground state molecular dynamics accompanied with state-of-the-art calculations of electronic excitation energies and transition dipoles. Here, we present an alternative derivation of the formalism and elaborate on the developed simulation protocol using gas phase and bulk water as examples. The specific spectroscopic features stemming from the nuclear motions are analyzed and traced down to the dynamics of electronic energy gaps and transition dipole correlation functions. The observed tendencies are explained on the basis of a simple harmonic model, and the involved approximations are discussed. The method represents a step forward over the conventional approaches that treat the system in full complexity and provides a reasonable starting point for further improvements.

Interlimb relation during the double support phase of gait: an electromyographic, mechanical and energy-based analysis.

PubMed

Sousa, Andreia S P; Silva, Augusta; Tavares, João Manuel R S

2013-03-01

The purpose of this study is to analyse the interlimb relation and the influence of mechanical energy on metabolic energy expenditure during gait. In total, 22 subjects were monitored as to electromyographic activity, ground reaction forces and VO2 consumption (metabolic power) during gait. The results demonstrate a moderate negative correlation between the activity of tibialis anterior, biceps femoris and vastus medialis of the trailing limb during the transition between mid-stance and double support and that of the leading limb during double support for the same muscles, and between these and gastrocnemius medialis and soleus of the trailing limb during double support. Trailing limb soleus during the transition between mid-stance and double support was positively correlated to leading limb tibialis anterior, vastus medialis and biceps femoris during double support. Also, the trailing limb centre of mass mechanical work was strongly influenced by the leading limbs, although only the mechanical power related to forward progression of both limbs was correlated to metabolic power. These findings demonstrate a consistent interlimb relation in terms of electromyographic activity and centre of mass mechanical work, being the relations occurred in the plane of forward progression the more important to gait energy expenditure.

Critical temperature for shape transition in hot nuclei within covariant density functional theory

NASA Astrophysics Data System (ADS)

Zhang, W.; Niu, Y. F.

2018-05-01

Prompted by the simple proportional relation between critical temperature for pairing transition and pairing gap at zero temperature, we investigate the relation between critical temperature for shape transition and ground-state deformation by taking even-even Cm-304286 isotopes as examples. The finite-temperature axially deformed covariant density functional theory with BCS pairing correlation is used. Since the Cm isotopes are the newly proposed nuclei with octupole correlations, we studied in detail the free energy surface, the Nilsson single-particle (s.p.) levels, and the components of s.p. levels near the Fermi level in 292Cm. Through this study, the formation of octupole equilibrium is understood by the contribution coming from the octupole driving pairs with Ω [N ,nz,ml] and Ω [N +1 ,nz±3 ,ml] for single-particle levels near the Fermi surfaces as it provides a good manifestation of the octupole correlation. Furthermore, the systematics of deformations, pairing gaps, and the specific heat as functions of temperature for even-even Cm-304286 isotopes are discussed. Similar to the relation between the critical pairing transition temperature and the pairing gap at zero temperature Tc=0.6 Δ (0 ) , a proportional relation between the critical shape transition temperature and the deformation at zero temperature Tc=6.6 β (0 ) is found for both octupole shape transition and quadrupole shape transition for the isotopes considered.

Establishing the kinetics of ballistic-to-diffusive transition using directional statistics

NASA Astrophysics Data System (ADS)

Liu, Pai; Heinson, William R.; Sumlin, Benjamin J.; Shen, Kuan-Yu; Chakrabarty, Rajan K.

2018-04-01

We establish the kinetics of ballistic-to-diffusive (BD) transition observed in two-dimensional random walk using directional statistics. Directional correlation is parameterized using the walker's turning angle distribution, which follows the commonly adopted wrapped Cauchy distribution (WCD) function. During the BD transition, the concentration factor (ρ) governing the WCD shape is observed to decrease from its initial value. We next analytically derive the relationship between effective ρ and time, which essentially quantifies the BD transition rate. The prediction of our kinetic expression agrees well with the empirical datasets obtained from correlated random walk simulation. We further connect our formulation with the conventionally used scaling relationship between the walker's mean-square displacement and time.

Mott transition and suppression of orbital fluctuations in orthorhombic 3d1 perovskites.

PubMed

Pavarini, E; Biermann, S; Poteryaev, A; Lichtenstein, A I; Georges, A; Andersen, O K

2004-04-30

Using t(2g) Wannier functions, a low-energy Hamiltonian is derived for orthorhombic 3d(1) transition-metal oxides. Electronic correlations are treated with a new implementation of dynamical mean-field theory for noncubic systems. Good agreement with photoemission data is obtained. The interplay of correlation effects and cation covalency (GdFeO3-type distortions) is found to suppress orbital fluctuations in LaTiO3 and even more in YTiO3, and to favor the transition to the insulating state.

Near-Field Nanoscopy of Metal-Insulator Phase Transitions Towards Synthesis of Novel Correlated Transition Metal Oxides and Their Interaction with Plasmon Resonances

DTIC Science & Technology

2016-01-05

and to utilize the phase transtion states of VO2 to control and manipulate local plasmon resonaces. First, we imaged the charge dynamics in (MIT) of...Then we studied the interaction of VO2 with plasmons . Both the film VO2 and the crystal VO2 were 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13...Novel Correlated Transition Metal Oxides and Their Interaction with Plasmon Resonances The views, opinions and/or findings contained in this report are

Epidemic Threshold in Structured Scale-Free Networks

NASA Astrophysics Data System (ADS)

EguíLuz, VíCtor M.; Klemm, Konstantin

2002-08-01

We analyze the spreading of viruses in scale-free networks with high clustering and degree correlations, as found in the Internet graph. For the susceptible-infected-susceptible model of epidemics the prevalence undergoes a phase transition at a finite threshold of the transmission probability. Comparing with the absence of a finite threshold in networks with purely random wiring, our result suggests that high clustering (modularity) and degree correlations protect scale-free networks against the spreading of viruses. We introduce and verify a quantitative description of the epidemic threshold based on the connectivity of the neighborhoods of the hubs.

Investigation of the Brill transition in nylon 6,6 by Raman, THz-Raman, and two-dimensional correlation spectroscopy.

PubMed

Bertoldo Menezes, D; Reyer, A; Musso, M

2018-02-05

The Brill transition is a phase transition process in polyamides related with structural changes between the hydrogen bonds of the lateral functional groups (CO) and (NH). In this study, we have used the potential of Raman spectroscopy for exploring this phase transition in polyamide 6,6 (nylon 6,6), due to the sensitivity of this spectroscopic technique to small intermolecular changes affecting vibrational properties of relevant functional groups. During a step by step heating and cooling process of the sample we collected Raman spectra allowing us from two-dimensional Raman correlation spectroscopy to identify which spectral regions suffered the largest influence during the Brill transition, and from Terahertz Stokes and anti-Stokes Raman spectroscopy to obtain complementary information, e.g. on the temperature of the sample. This allowed us to grasp signatures of the Brill transition from peak parameters of vibrational modes associated with (CC) skeletal stretches and (CNH) bending, and to verify the Brill transition temperature at around 160°C, as well as the reversibility of this phase transition. Copyright © 2017 Elsevier B.V. All rights reserved.

Prevalence and Correlates of Screen-Based Media Use among Youths with Autism Spectrum Disorders

PubMed Central

Mazurek, Micah O.; Shattuck, Paul T.; Wagner, Mary; Cooper, Benjamin P.

2012-01-01

Anecdotal reports indicate that individuals with autism spectrum disorders (ASD) are often preoccupied with television, computers, and video games (screen-based media). However, few studies have examined this issue. The current study examined screen-based media use among a large, nationally representative sample of youths participating in the National Longitudinal Transition Study – 2 (NLTS2). The majority of youths with ASD (64.2%) spent most of their free time using non-social media (television, video games), while only 13.2% spent time on social media (email, internet chatting). Compared with other disability groups (speech/language impairment, learning disabilities, intellectual disabilities), rates of non-social media use were higher among the ASD group, and rates of social media use were lower. Demographic and symptom-specific correlates were also examined. PMID:22160370

Role of Excessive Autophagy Induced by Mechanical Overload in Vein Graft Neointima Formation: Prediction and Prevention

NASA Astrophysics Data System (ADS)

Chang, Ya-Ju; Huang, Hui-Chun; Hsueh, Yuan-Yu; Wang, Shao-Wei; Su, Fong-Chin; Chang, Chih-Han; Tang, Ming-Jer; Li, Yi-Shuan; Wang, Shyh-Hau; Shung, Kirk K.; Chien, Shu; Wu, Chia-Ching

2016-02-01

Little is known regarding the interplays between the mechanical and molecular bases for vein graft restenosis. We elucidated the stenosis initiation using a high-frequency ultrasonic (HFU) echogenicity platform and estimated the endothelium yield stress from von-Mises stress computation to predict the damage locations in living rats over time. The venous-arterial transition induced the molecular cascades for autophagy and apoptosis in venous endothelial cells (ECs) to cause neointimal hyperplasia, which correlated with the high echogenicity in HFU images and the large mechanical stress that exceeded the yield strength. The ex vivo perfusion of arterial laminar shear stress to isolated veins further confirmed the correlation. EC damage can be rescued by inhibiting autophagy formation using 3-methyladenine (3-MA). Pretreatment of veins with 3-MA prior to grafting reduced the pathological increases of echogenicity and neointima formation in rats. Therefore, this platform provides non-invasive temporal spatial measurement and prediction of restenosis after venous-arterial transition as well as monitoring the progression of the treatments.

Resistance noise spectroscopy across the thermally and electrically driven metal-insulator transitions in VO2 nanobeams

NASA Astrophysics Data System (ADS)

Alsaqqa, Ali; Kilcoyne, Colin; Singh, Sujay; Horrocks, Gregory; Marley, Peter; Banerjee, Sarbajit; Sambandamurthy, G.

Vanadium dioxide (VO2) is a strongly correlated material that exhibits a sharp thermally driven metal-insulator transition at Tc ~ 340 K. The transition can also be triggered by a DC voltage in the insulating phase with a threshold (Vth) behavior. The mechanisms behind these transitions are hotly discussed and resistance noise spectroscopy is a suitable tool to delineate different transport mechanisms in correlated systems. We present results from a systematic study of the low frequency (1 mHz < f < 10 Hz) noise behavior in VO2 nanobeams across the thermally and electrically driven transitions. In the thermal transition, the power spectral density (PSD) of the resistance noise is unchanged as we approach Tc from 300 K and an abrupt drop in the magnitude is seen above Tc and it remains unchanged till 400 K. However, the noise behavior in the electrically driven case is distinctly different: as the voltage is ramped from zero, the PSD gradually increases by an order of magnitude before reaching Vth and an abrupt increase is seen at Vth. The noise magnitude decreases above Vth, approaching the V = 0 value. The individual roles of percolation, Joule heating and signatures of correlated behavior will be discussed. This work is supported by NSF DMR 0847324.

New York City Transit Authority automated transit infrastructure maintenance demonstration.

DOT National Transportation Integrated Search

2009-04-01

The objective of this pilot project was to demonstrate that the safety and reliability of the New York City : Transit transportation system can be improved by automating the correlation and analysis of disparate : track related data. Through the use ...

Spatial fluctuations in transient creep deformation

NASA Astrophysics Data System (ADS)

Laurson, Lasse; Rosti, Jari; Koivisto, Juha; Miksic, Amandine; Alava, Mikko J.

2011-07-01

We study the spatial fluctuations of transient creep deformation of materials as a function of time, both by digital image correlation (DIC) measurements of paper samples and by numerical simulations of a crystal plasticity or discrete dislocation dynamics model. This model has a jamming or yielding phase transition, around which power law or Andrade creep is found. During primary creep, the relative strength of the strain rate fluctuations increases with time in both cases—the spatially averaged creep rate obeys the Andrade law epsilont ~ t - 0.7, while the time dependence of the spatial fluctuations of the local creep rates is given by Δepsilont ~ t - 0.5. A similar scaling for the fluctuations is found in the logarithmic creep regime that is typically observed for lower applied stresses. We review briefly some classical theories of Andrade creep from the point of view of such spatial fluctuations. We consider these phenomenological, time-dependent creep laws in terms of a description based on a non-equilibrium phase transition separating evolving and frozen states of the system when the externally applied load is varied. Such an interpretation is discussed further by the data collapse of the local deformations in the spirit of absorbing state/depinning phase transitions, as well as deformation-deformation correlations and the width of the cumulative strain distributions. The results are also compared with the order parameter fluctuations observed close to the depinning transition of the 2d linear interface model or the quenched Edwards-Wilkinson equation.

A Catalog of Transit Timing Posterior Distributions for all Kepler Planet Candidate Transit Events

NASA Astrophysics Data System (ADS)

Montet, Benjamin Tyler; Becker, Juliette C.; Johnson, John Asher

2015-12-01

Kepler has ushered in a new era of planetary dynamics, enabling the detection of interactions between multiple planets in transiting systems for hundreds of systems. These interactions, observed as transit timing variations (TTVs), have been used to find non-transiting companions to transiting systems and to measure masses, eccentricities, and inclinations of transiting planets. Often, physical parameters are inferred by comparing the observed light curve to the result of a photodynamical model, a time-intensive process that often ignores the effects of correlated noise in the light curve. Catalogs of transit timing observations have previously neglected non-Gaussian uncertainties in the times of transit, uncertainties in the transit shape, and short cadence data. Here, I present a catalog of not only times of transit centers, but also posterior distributions on the time of transit for every planet candidate transit event in the Kepler data, developed through importance sampling of each transit. This catalog allows one to marginalize over uncertainties in the transit shape and incorporate short cadence data, the effects of correlated noise, and non-Gaussian posteriors. Our catalog will enable dynamical studies that reflect accurately the precision of Kepler and its limitations without requiring the computational power to model the light curve completely with every integration. I will also present our open-source N-body photodynamical modeling code, which integrates planetary and stellar orbits accounting for the effects of GR, tidal effects, and Doppler beaming.

Correlation between colonic secretion and colonic motility in rats: Role of ghrelin

PubMed Central

Huang, Hsien-Hao; Ting, Ching-Heng; Syu, Yu-Fong; Chang, Shi-Chuan; Chen, Chih-Yen

2016-01-01

AIM To explore the relationship between colonic secretory function and colonic motility. METHODS Using a rat model chronically implanted with intracerebroventricular (ICV) and cecal catheters, we validated the correlation between colonic secretion and colonic motor functions, as well as the role of ICV injection volume. RESULTS Compared to saline controls (5 μL/rat), ICV acyl ghrelin at 1 nmol/5 μL enhanced the total fecal weight, accelerated the colonic transit time, and increased the fecal pellet output during the first hour post-injection, while ICV des-acyl ghrelin at 1 nmol/5 μL only accelerated the colonic transit time. These stimulatory effects on colonic motility and/or secretion from acyl ghrelin and des-acyl ghrelin disappeared when the ICV injection volume increased to 10 μL compared with saline controls (10 μL/rat). Additionally, the ICV injection of 10 μL of saline significantly shortened the colonic transit time compared with the ICV injection of 5 μL of saline. The total fecal weight during the first hour post-injection correlated with the colonic transit time and fecal pellet output after the ICV injection of acyl ghrelin (1 nmol/5 μL), whereas the total fecal weight during the first hour post-injection correlated with the fecal pellet output but not the colonic transit time after the ICV injection of des-acyl ghrelin (1 nmol/5 μL). CONCLUSION Colonic secretion does not always correlate with colonic motility in response to different colonic stimulations. Acyl ghrelin stimulates colonic secretion. PMID:28028362

The population genomics of archaeological transition in west Iberia: Investigation of ancient substructure using imputation and haplotype-based methods

PubMed Central

Martiniano, Rui; McLaughlin, Russell; Silva, Nuno M.; Manco, Licinio; Pereira, Tania; Coelho, Maria J.; Serra, Miguel; Burger, Joachim; Parreira, Rui; Moran, Elena; Valera, Antonio C.; Silva, Ana M.

2017-01-01

We analyse new genomic data (0.05–2.95x) from 14 ancient individuals from Portugal distributed from the Middle Neolithic (4200–3500 BC) to the Middle Bronze Age (1740–1430 BC) and impute genomewide diploid genotypes in these together with published ancient Eurasians. While discontinuity is evident in the transition to agriculture across the region, sensitive haplotype-based analyses suggest a significant degree of local hunter-gatherer contribution to later Iberian Neolithic populations. A more subtle genetic influx is also apparent in the Bronze Age, detectable from analyses including haplotype sharing with both ancient and modern genomes, D-statistics and Y-chromosome lineages. However, the limited nature of this introgression contrasts with the major Steppe migration turnovers within third Millennium northern Europe and echoes the survival of non-Indo-European language in Iberia. Changes in genomic estimates of individual height across Europe are also associated with these major cultural transitions, and ancestral components continue to correlate with modern differences in stature. PMID:28749934

Structural predictions for Correlated Electron Materials Using the Functional Dynamical Mean Field Theory Approach

NASA Astrophysics Data System (ADS)

Haule, Kristjan

2018-04-01

The Dynamical Mean Field Theory (DMFT) in combination with the band structure methods has been able to address reach physics of correlated materials, such as the fluctuating local moments, spin and orbital fluctuations, atomic multiplet physics and band formation on equal footing. Recently it is getting increasingly recognized that more predictive ab-initio theory of correlated systems needs to also address the feedback effect of the correlated electronic structure on the ionic positions, as the metal-insulator transition is almost always accompanied with considerable structural distortions. We will review recently developed extension of merger between the Density Functional Theory (DFT) and DMFT method, dubbed DFT+ embedded DMFT (DFT+eDMFT), whichsuccessfully addresses this challenge. It is based on the stationary Luttinger-Ward functional to minimize the numerical error, it subtracts the exact double-counting of DFT and DMFT, and implements self-consistent forces on all atoms in the unit cell. In a few examples, we will also show how the method elucidated the important feedback effect of correlations on crystal structure in rare earth nickelates to explain the mechanism of the metal-insulator transition. The method showed that such feedback effect is also essential to understand the dynamic stability of the high-temperature body-centered cubic phase of elemental iron, and in particular it predicted strong enhancement of the electron-phonon coupling over DFT values in FeSe, which was very recently verified by pioneering time-domain experiment.

Microscopic origin of black hole reentrant phase transitions

NASA Astrophysics Data System (ADS)

Zangeneh, M. Kord; Dehyadegari, A.; Sheykhi, A.; Mann, R. B.

2018-04-01

Understanding the microscopic behavior of the black hole ingredients has been one of the important challenges in black hole physics during the past decades. In order to shed some light on the microscopic structure of black holes, in this paper, we explore a recently observed phenomenon for black holes namely reentrant phase transition, by employing the Ruppeiner geometry. Interestingly enough, we observe two properties for the phase behavior of small black holes that leads to reentrant phase transition. They are correlated and they are of the interaction type. For the range of pressure in which the system underlies reentrant phase transition, it transits from the large black holes phase to the small one which possesses higher correlation than the other ranges of pressures. On the other hand, the type of interaction between small black holes near the large/small transition line differs for usual and reentrant phase transitions. Indeed, for the usual case, the dominant interaction is repulsive whereas for the reentrant case we encounter an attractive interaction. We show that in the reentrant phase transition case, the small black holes behave like a bosonic gas whereas in the usual phase transition case, they behave like a quantum anyon gas.

Active ultrasonic cross-correlation flowmeters for mixed-phase pipe flows

NASA Astrophysics Data System (ADS)

Sheen, S. H.; Raptis, A. C.

Two ultrasonic flowmeters which employ the active cross-correlation technique and use a simple clamp-on transducer arrangement are discussed. The flowmeter for solid/liquid flows was tested over a wide range of coal concentration in water and oil. The measured velocity based on the peak position of the cross-correlation function is consistently higher by about 15% than the average velocity measured by flow diversion. The origin of the difference results mainly from the flow velocity profiles and the transit-time probability distribution. The flowmeter that can measure particle velocity in a solid/gas flow requires acoustic decoupling arrangement between two sensing stations. The measured velocity is mainly associated with the particles near the wall. Performance of both flowmeters is presented.

Synchrotron-radiation based perturbed angular correlations from 119Sn

NASA Astrophysics Data System (ADS)

Strohm, C.; Sergueev, I.; van Bürck, U.

2008-03-01

We report the observation of γ-γ-correlations from 119Sn using nuclear resonant scattering of synchrotron radiation, extending nuclear resonant spectroscopy with 119Sn to vanishing recoilless fractions and new applications. The 23.87 keV M1 (+E2) Ig:1/2→Ie:3/2 Mössbauer transition was excited from the ground state, and the time differential correlations between the incident and the scattered photons were recorded for different angles in the plane perpendicular to the incident beam. The experiments were performed on samples of tributyltin-fluoride, which has a very low Lamb-Mössbauer factor at ambient temperature. In the time spectra we observed quantum beats from the static perturbation through electric quadrupole interaction.

Boundary Layer Transition Correlations and Aeroheating Predictions for Mars Smart Lander

NASA Technical Reports Server (NTRS)

Hollis, Brian R.; Liechty, Derek S.

2002-01-01

Laminar and turbulent perfect-gas air, Navier-Stokes computations have been performed for a proposed Mars Smart Lander entry vehicle at Mach 6 over a free stream Reynolds number range of 6.9 x 10(exp 6)/m to 2.4 x 10(exp 7)/m (2.1 x 10(exp 6)/ft to 7.3 x 10(exp 6)/ft) for angles-of-attack of 0-deg, 11-deg, 16-deg, and 20-deg, and comparisons were made to wind tunnel heating data obtained a t the same conditions. Boundary layer edge properties were extracted from the solutions and used to correlate experimental data on the effects of heat-shield penetrations (bolt-holes where the entry vehicle would be attached to the propulsion module during transit to Mars) on boundary-layer transition. A non-equilibrium Martian-atmosphere computation was performed for the peak heating point on the entry trajectory in order to determine if the penetrations would produce boundary-layer transition by using this correlation.

Boundary Layer Transition Correlations and Aeroheating Predictions for Mars Smart Lander

NASA Technical Reports Server (NTRS)

Hollis, Brian R.; Liechty, Derek S.

2002-01-01

Laminar and turbulent perfect-gas air, Navier-Stokes computations have been performed for a proposed Mars Smart Lander entry vehicle at Mach 6 over a free stream Reynolds number range of 6.9 x 10(exp 6/m to 2.4 x 10(exp 7)m(2.1 x 10(exp 6)/ft to 7.3 x 10(exp 6)ft) for angles-of-attack of 0-deg, 11-deg, 16-deg, and 20-deg, and comparisons were made to wind tunnel heating data obtained at the same conditions. Boundary layer edge properties were extracted from the solutions and used to correlate experimental data on the effects of heat-shield penetrations (bolt-holes where the entry vehicle would be attached to the propulsion module during transit to Mars) on boundary-layer transition. A non-equilibrium Martian-atmosphere computation was performed for the peak heating point on the entry trajectory in order to determine if the penetrations would produce boundary-layer transition by using this correlation.

Strongly correlated superconductivity and quantum criticality

NASA Astrophysics Data System (ADS)

Tremblay, A.-M. S.

Doped Mott insulators and doped charge-transfer insulators describe classes of materials that can exhibit unconventional superconducting ground states. Examples include the cuprates and the layered organic superconductors of the BEDT family. I present results obtained from plaquette cellular dynamical mean-field theory. Continuous-time quantum Monte Carlo evaluation of the hybridization expansion allows one to study the models in the large interaction limit where quasiparticles can disappear. The normal state which is unstable to the superconducting state exhibits a first-order transition between a pseudogap and a correlated metal phase. That transition is the finite-doping extension of the metal-insulator transition obtained at half-filling. This transition serves as an organizing principle for the normal and superconducting states of both cuprates and doped organic superconductors. In the less strongly correlated limit, these methods also describe the more conventional case where the superconducting dome surrounds an antiferromagnetic quantum critical point. Sponsored by NSERC RGPIN-2014-04584, CIFAR, Research Chair in the Theory of Quantum Materials.

Observed correlation between the depth to base and top of gas hydrate occurrence from review of global drilling data

NASA Astrophysics Data System (ADS)

Riedel, M.; Collett, T. S.

2017-07-01

A global inventory of data from gas hydrate drilling expeditions is used to develop relationships between the base of structure I gas hydrate stability, top of gas hydrate occurrence, sulfate-methane transition depth, pressure (water depth), and geothermal gradients. The motivation of this study is to provide first-order estimates of the top of gas hydrate occurrence and associated thickness of the gas hydrate occurrence zone for climate-change scenarios, global carbon budget analyses, or gas hydrate resource assessments. Results from publically available drilling campaigns (21 expeditions and 52 drill sites) off Cascadia, Blake Ridge, India, Korea, South China Sea, Japan, Chile, Peru, Costa Rica, Gulf of Mexico, and Borneo reveal a first-order linear relationship between the depth to the top and base of gas hydrate occurrence. The reason for these nearly linear relationships is believed to be the strong pressure and temperature dependence of methane solubility in the absence of large difference in thermal gradients between the various sites assessed. In addition, a statistically robust relationship was defined between the thickness of the gas hydrate occurrence zone and the base of gas hydrate stability (in meters below seafloor). The relationship developed is able to predict the depth of the top of gas hydrate occurrence zone using observed depths of the base of gas hydrate stability within less than 50 m at most locations examined in this study. No clear correlation of the depth to the top and base of gas hydrate occurrences with geothermal gradient and sulfate-methane transition depth was identified.

Observed correlation between the depth to base and top of gas hydrate occurrence from review of global drilling data

USGS Publications Warehouse

Riedel, Michael; Collett, Timothy S.

2017-01-01

A global inventory of data from gas hydrate drilling expeditions is used to develop relationships between the base of structure I gas hydrate stability, top of gas hydrate occurrence, sulfate-methane transition depth, pressure (water depth), and geothermal gradients. The motivation of this study is to provide first-order estimates of the top of gas hydrate occurrence and associated thickness of the gas hydrate occurrence zone for climate-change scenarios, global carbon budget analyses, or gas hydrate resource assessments. Results from publically available drilling campaigns (21 expeditions and 52 drill sites) off Cascadia, Blake Ridge, India, Korea, South China Sea, Japan, Chile, Peru, Costa Rica, Gulf of Mexico, and Borneo reveal a first-order linear relationship between the depth to the top and base of gas hydrate occurrence. The reason for these nearly linear relationships is believed to be the strong pressure and temperature dependence of methane solubility in the absence of large difference in thermal gradients between the various sites assessed. In addition, a statistically robust relationship was defined between the thickness of the gas hydrate occurrence zone and the base of gas hydrate stability (in meters below seafloor). The relationship developed is able to predict the depth of the top of gas hydrate occurrence zone using observed depths of the base of gas hydrate stability within less than 50 m at most locations examined in this study. No clear correlation of the depth to the top and base of gas hydrate occurrences with geothermal gradient and sulfate-methane transition depth was identified.

Role of short-range correlation in facilitation of wave propagation in a long-range ladder chain

NASA Astrophysics Data System (ADS)

Farzadian, O.; Niry, M. D.

2018-09-01

We extend a new method for generating a random chain, which has a kind of short-range correlation induced by a repeated sequence while retaining long-range correlation. Three distinct methods are considered to study the localization-delocalization transition of mechanical waves in one-dimensional disordered media with simultaneous existence of short and long-range correlation. First, a transfer-matrix method was used to calculate numerically the localization length of a wave in a binary chain. We found that the existence of short-range correlation in a long-range correlated chain can increase the localization length at the resonance frequency Ωc. Then, we carried out an analytical study of the delocalization properties of the waves in correlated disordered media around Ωc. Finally, we apply a dynamical method based on the direct numerical simulation of the wave equation to study the propagation of waves in the correlated chain. Imposing short-range correlation on the long-range background will lead the propagation to super-diffusive transport. The results obtained with all three methods are in agreement with each other.

Universal Long Ranged Correlations in Driven Binary Mixtures

NASA Astrophysics Data System (ADS)

Poncet, Alexis; Bénichou, Olivier; Démery, Vincent; Oshanin, Gleb

2017-03-01

When two populations of "particles" move in opposite directions, like oppositely charged colloids under an electric field or intersecting flows of pedestrians, they can move collectively, forming lanes along their direction of motion. The nature of this "laning transition" is still being debated and, in particular, the pair correlation functions, which are the key observables to quantify this phenomenon, have not been characterized yet. Here, we determine the correlations using an analytical approach based on a linearization of the stochastic equations for the density fields, which is valid for dense systems of soft particles. We find that the correlations decay algebraically along the direction of motion, and have a self-similar exponential profile in the transverse direction. Brownian dynamics simulations confirm our theoretical predictions and show that they also hold beyond the validity range of our analytical approach, pointing to a universal behavior.

Voltage Control of Metal-insulator Transition and Non-volatile Ferroelastic Switching of Resistance in VOx/PMN-PT Heterostructures

PubMed Central

Nan, Tianxiang; Liu, Ming; Ren, Wei; Ye, Zuo-Guang; Sun, Nian X.

2014-01-01

The central challenge in realizing electronics based on strongly correlated electronic states, or ‘Mottronics', lies in finding an energy efficient way to switch between the distinct collective phases with a control voltage in a reversible and reproducible manner. In this work, we demonstrate that a voltage-impulse-induced ferroelastic domain switching in the (011)-oriented 0.71Pb(Mg1/3Nb2/3)O3-0.29PbTiO3 (PMN-PT) substrates allows a robust non-volatile tuning of the metal-insulator transition in the VOx films deposited onto them. In such a VOx/PMN-PT heterostructure, the unique two-step electric polarization switching covers up to 90% of the entire poled area and contributes to a homogeneous in-plane anisotropic biaxial strain, which, in turn, enables the lattice changes and results in the suppression of metal-insulator transition in the mechanically coupled VOx films by 6 K with a resistance change up to 40% over a broad range of temperature. These findings provide a framework for realizing in situ and non-volatile tuning of strain-sensitive order parameters in strongly correlated materials, and demonstrate great potentials in delivering reconfigurable, compactable, and energy-efficient electronic devices. PMID:25088796

Characterizing the correlations between local phase fractions of gas-liquid two-phase flow with wire-mesh sensor.

PubMed

Tan, C; Liu, W L; Dong, F

2016-06-28

Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas-liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas-liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue 'Supersensing through industrial process tomography'. © 2016 The Author(s).

Voltage control of metal-insulator transition and non-volatile ferroelastic switching of resistance in VOx/PMN-PT heterostructures.

PubMed

Nan, Tianxiang; Liu, Ming; Ren, Wei; Ye, Zuo-Guang; Sun, Nian X

2014-08-04

The central challenge in realizing electronics based on strongly correlated electronic states, or 'Mottronics', lies in finding an energy efficient way to switch between the distinct collective phases with a control voltage in a reversible and reproducible manner. In this work, we demonstrate that a voltage-impulse-induced ferroelastic domain switching in the (011)-oriented 0.71Pb(Mg1/3Nb2/3)O3-0.29PbTiO3 (PMN-PT) substrates allows a robust non-volatile tuning of the metal-insulator transition in the VOx films deposited onto them. In such a VOx/PMN-PT heterostructure, the unique two-step electric polarization switching covers up to 90% of the entire poled area and contributes to a homogeneous in-plane anisotropic biaxial strain, which, in turn, enables the lattice changes and results in the suppression of metal-insulator transition in the mechanically coupled VOx films by 6 K with a resistance change up to 40% over a broad range of temperature. These findings provide a framework for realizing in situ and non-volatile tuning of strain-sensitive order parameters in strongly correlated materials, and demonstrate great potentials in delivering reconfigurable, compactable, and energy-efficient electronic devices.

Tailoring Materials for Mottronics: Excess Oxygen Doping of a Prototypical Mott Insulator.

PubMed

Scheiderer, Philipp; Schmitt, Matthias; Gabel, Judith; Zapf, Michael; Stübinger, Martin; Schütz, Philipp; Dudy, Lenart; Schlueter, Christoph; Lee, Tien-Lin; Sing, Michael; Claessen, Ralph

2018-05-07

The Mott transistor is a paradigm for a new class of electronic devices-often referred to by the term Mottronics-which are based on charge correlations between the electrons. Since correlation-induced insulating phases of most oxide compounds are usually very robust, new methods have to be developed to push such materials right to the boundary to the metallic phase in order to enable the metal-insulator transition to be switched by electric gating. Here, it is demonstrated that thin films of the prototypical Mott insulator LaTiO 3 grown by pulsed laser deposition under oxygen atmosphere are readily tuned by excess oxygen doping across the line of the band-filling controlled Mott transition in the electronic phase diagram. The detected insulator to metal transition is characterized by a strong change in resistivity of several orders of magnitude. The use of suitable substrates and capping layers to inhibit oxygen diffusion facilitates full control of the oxygen content and renders the films stable against exposure to ambient conditions. These achievements represent a significant advancement in control and tuning of the electronic properties of LaTiO 3+ x thin films making it a promising channel material in future Mottronic devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterizing the correlations between local phase fractions of gas–liquid two-phase flow with wire-mesh sensor

PubMed Central

Liu, W. L.; Dong, F.

2016-01-01

Understanding of flow patterns and their transitions is significant to uncover the flow mechanics of two-phase flow. The local phase distribution and its fluctuations contain rich information regarding the flow structures. A wire-mesh sensor (WMS) was used to study the local phase fluctuations of horizontal gas–liquid two-phase flow, which was verified through comparing the reconstructed three-dimensional flow structure with photographs taken during the experiments. Each crossing point of the WMS is treated as a node, so the measurement on each node is the phase fraction in this local area. An undirected and unweighted flow pattern network was established based on connections that are formed by cross-correlating the time series of each node under different flow patterns. The structure of the flow pattern network reveals the relationship of the phase fluctuations at each node during flow pattern transition, which is then quantified by introducing the topological index of the complex network. The proposed analysis method using the WMS not only provides three-dimensional visualizations of the gas–liquid two-phase flow, but is also a thorough analysis for the structure of flow patterns and the characteristics of flow pattern transition. This article is part of the themed issue ‘Supersensing through industrial process tomography’. PMID:27185959

Curriculum Based Functional Vocational Assessment Guide. Correlation of the Life Centered Career Education Curriculum with Specific Occupational Programs, Standards of Work Performance, and Campus Assessment Instruments.

ERIC Educational Resources Information Center

Quinones, William A.

This document is a guide developed for the Dallas Independent School District's (DISD's) Multiple Careers Magnet Center, which provides special education students with training in standards of work performance and specific occupational skills for successful transition to community life and employment. The document also provides information for…

Characterisation of faecal protease activity in irritable bowel syndrome with diarrhoea: origin and effect of gut transit.

PubMed

Tooth, David; Garsed, Klara; Singh, Gulzar; Marciani, Luca; Lam, Ching; Fordham, Imogen; Fields, Annie; Banwait, Rawinder; Lingaya, Melanie; Layfield, Robert; Hastings, Maggie; Whorwell, Peter; Spiller, Robin

2014-05-01

Faecal serine proteases (FSPs) may play a role in irritable bowel syndrome with diarrhoea (IBS-D), but their origin is unclear. We aimed to structurally characterise them and define the impact of colonic cleansing and transit time. Faecal samples were obtained from 30 healthy volunteers (HV) and 79 patients with IBS-D participating in a trial of ondansetron versus placebo. Colonic transit was measured using radio-opaque markers. Samples were also obtained from 24 HV before and after colonic cleansing with the osmotic laxative MoviPrep. FSPs were purified from faecal extracts using benzamidine-Sepharose affinity chromatography. SDS-PAGE profiled components were identified using trypsinolysis and tandem mass spectrometry. Functional protease activity in faecal extracts was measured using a colorimetric assay based on the proteolysis of azo-casein. Protein analysis identified the most abundant FSPs as being of human origin and probably derived from pancreatic juice. Functional assays showed increased faecal protease (FP) and amylase in patients with IBS-D compared with HV. Those with higher amylase had significantly higher FP and greater anxiety. FP activity correlated negatively with whole gut transit in patients with IBS-D (Spearman r=-0.32, p=0.005) and HV (r=-0.55, p=0.014). Colon cleansing caused a significant rise in FP activity in HV from a baseline of median (IQR) 253 (140-426) to 1031 (435-2296), levels similar to those seen in patients with IBS-D. FSP activity correlated positively with days/week with urgency. The most abundant FSPs are of human origin. Rapid transit through the colon and/or decreased (possibly bacterial) proteolytic degradation increases their faecal concentration and could contribute to visceral hypersensitivity in patients with IBS-D. NCT00745004.

Using micro-simulation to investigate the safety impacts of transit design alternatives at signalized intersections.

PubMed

Li, Lu; Persaud, Bhagwant; Shalaby, Amer

2017-03-01

This study investigates the use of crash prediction models and micro-simulation to develop an effective surrogate safety assessment measure at the intersection level. With the use of these tools, hypothetical scenarios can be developed and explored to evaluate the safety impacts of design alternatives in a controlled environment, in which factors not directly associated with the design alternatives can be fixed. Micro-simulation models are developed, calibrated, and validated. Traffic conflicts in the micro-simulation models are estimated and linked with observed crash frequency, which greatly alleviates the lengthy time needed to collect sufficient crash data for evaluating alternatives, due to the rare and infrequent nature of crash events. A set of generalized linear models with negative binomial error structure is developed to correlate the simulated conflicts with the observed crash frequency in Toronto, Ontario, Canada. Crash prediction models are also developed for crashes of different impact types and for transit-involved crashes. The resulting statistical significance and the goodness-of-fit of the models suggest adequate predictive ability. Based on the established correlation between simulated conflicts and observed crashes, scenarios are developed in the micro-simulation models to investigate the safety effects of individual transit line elements by making hypothetical modifications to such elements and estimating changes in crash frequency from the resulting changes in conflicts. The findings imply that the existing transit signal priority schemes can have a negative effect on safety performance, and that the existing near-side stop positioning and streetcar transit type can be safer at their current state than if they were to be replaced by their respective counterparts. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mechanism of the high transition temperature for the 1111-type iron-based superconductors R FeAsO (R =rare earth ): Synergistic effects of local structures and 4 f electrons

NASA Astrophysics Data System (ADS)

Zhang, Lifang; Meng, Junling; Liu, Xiaojuan; Yao, Fen; Meng, Jian; Zhang, Hongjie

2017-07-01

Among the iron-based superconductors, the 1111-type Fe-As-based superconductors REFeAs O1 -xFx (RE = rare earth) exhibit high transition temperatures (Tc) above 40 K. We perform first-principles calculations based on density functional theory with the consideration of both electronic correlations and spin-orbit couplings on rare earths and Fe ions to study the underlying mechanism as the microscopic structural distortions in REFeAsO tuned by both lanthanide contraction and external strain. The electronic structures evolve similarly in both cases. It is found that there exist an optimal structural regime that will not only initialize but also optimize the orbital fluctuations due to the competing Fe-As and Fe-Fe crystal fields. We also find that the key structural features in REFeAsO, such as As-Fe-As bond angle, intrinsically induce the modification of the Fermi surface and dynamic spin fluctuation. These results suggest that the superconductivity is mediated by antiferromagnetic spin fluctuations. Simultaneously, we show that the rare-earth 4 f electrons play important roles on the high transition temperature whose behavior might be analogous to that of the heavy-fermion superconductors. The superconductivity of these 1111-type iron-based superconductors with high-Tc is considered to originate from the synergistic effects of local structures and 4 f electrons.

Electrophysiological correlates reflect the integration of model-based and model-free decision information.

PubMed

Eppinger, Ben; Walter, Maik; Li, Shu-Chen

2017-04-01

In this study, we investigated the interplay of habitual (model-free) and goal-directed (model-based) decision processes by using a two-stage Markov decision task in combination with event-related potentials (ERPs) and computational modeling. To manipulate the demands on model-based decision making, we applied two experimental conditions with different probabilities of transitioning from the first to the second stage of the task. As we expected, when the stage transitions were more predictable, participants showed greater model-based (planning) behavior. Consistent with this result, we found that stimulus-evoked parietal (P300) activity at the second stage of the task increased with the predictability of the state transitions. However, the parietal activity also reflected model-free information about the expected values of the stimuli, indicating that at this stage of the task both types of information are integrated to guide decision making. Outcome-related ERP components only reflected reward-related processes: Specifically, a medial prefrontal ERP component (the feedback-related negativity) was sensitive to negative outcomes, whereas a component that is elicited by reward (the feedback-related positivity) increased as a function of positive prediction errors. Taken together, our data indicate that stimulus-locked parietal activity reflects the integration of model-based and model-free information during decision making, whereas feedback-related medial prefrontal signals primarily reflect reward-related decision processes.

Freezing transition of the directed polymer in a 1+d random medium: Location of the critical temperature and unusual critical properties

NASA Astrophysics Data System (ADS)

Monthus, Cécile; Garel, Thomas

2006-07-01

In dimension d⩾3 , the directed polymer in a random medium undergoes a phase transition between a free phase at high temperature and a low-temperature disorder-dominated phase. For the latter phase, Fisher and Huse have proposed a droplet theory based on the scaling of the free-energy fluctuations ΔF(l)˜lθ at scale l . On the other hand, in related growth models belonging to the Kardar-Parisi-Zhang universality class, Forrest and Tang have found that the height-height correlation function is logarithmic at the transition. For the directed polymer model at criticality, this translates into logarithmic free-energy fluctuations ΔFTc(l)˜(lnl)σ with σ=1/2 . In this paper, we propose a droplet scaling analysis exactly at criticality based on this logarithmic scaling. Our main conclusion is that the typical correlation length ξ(T) of the low-temperature phase diverges as lnξ(T)˜[-ln(Tc-T)]1/σ˜[-ln(Tc-T)]2 , instead of the usual power law ξ(T)˜(Tc-T)-ν . Furthermore, the logarithmic dependence of ΔFTc(l) leads to the conclusion that the critical temperature Tc actually coincides with the explicit upper bound T2 derived by Derrida and co-workers, where T2 corresponds to the temperature below which the ratio ZL2¯/(ZL¯)2 diverges exponentially in L . Finally, since the Fisher-Huse droplet theory was initially introduced for the spin-glass phase, we briefly mention the similarities with and differences from the directed polymer model. If one speculates that the free energy of droplet excitations for spin glasses is also logarithmic at Tc , one obtains a logarithmic decay for the mean square correlation function at criticality, C2(r)¯˜1/(lnr)σ , instead of the usual power law 1/rd-2+η .

Suicidal Thoughts and Behaviors Among First-Year College Students: Results From the WMH-ICS Project.

PubMed

Mortier, Philippe; Auerbach, Randy P; Alonso, Jordi; Bantjes, Jason; Benjet, Corina; Cuijpers, Pim; Ebert, David D; Green, Jennifer Greif; Hasking, Penelope; Nock, Matthew K; O'Neill, Siobhan; Pinder-Amaker, Stephanie; Sampson, Nancy A; Vilagut, Gemma; Zaslavsky, Alan M; Bruffaerts, Ronny; Kessler, Ronald C

2018-04-01

College entrance may be a strategically well-placed "point of capture" for detecting late adolescents with suicidal thoughts and behaviors (STB). However, a clear epidemiological picture of STB among incoming college students is lacking. We present the first cross-national data on prevalence as well as socio-demographic and college-related correlates for STB among first-year college students. Web-based self-report surveys were obtained from 13,984 first-year students (response rate 45.5%) across 19 colleges in 8 countries (Australia, Belgium, Germany, Mexico, Northern Ireland, South Africa, Spain, and the United States). Lifetime prevalence of suicidal ideation, plans, and attempts was 32.7%, 17.5%, and 4.3%, respectively. The 12-month prevalence was 17.2%, 8.8%, and 1.0%, respectively. About three-fourths of STB cases had onset before the age of 16 years (Q3 = 15.8), with persistence figures in the range of 41% to 53%. About one-half (53.4%) of lifetime ideators transitioned to a suicide plan; 22.1% of lifetime planners transitioned to an attempt. Attempts among lifetime ideators without plan were less frequent (3.1%). Significant correlates of lifetime STB were cross-nationally consistent and generally modest in effect size (median adjusted odds ratio [aOR] = 1.7). Nonheterosexual orientation (aOR range 3.3-7.9) and heterosexual orientation with some same-sex attraction (aOR range 1.9-2.3) were the strongest correlates of STB, and of transitioning from ideation to plans and/or attempts (aOR range 1.6-6.1). The distribution of STB in first-year students is widespread, and relatively independent of socio-demographic risk profile. Multivariate risk algorithms based on a high number of risk factors are indicated to efficiently link high-risk status with effective preventive interventions. Copyright © 2018 American Academy of Child and Adolescent Psychiatry. Published by Elsevier Inc. All rights reserved.

Active contour-based visual tracking by integrating colors, shapes, and motions.

PubMed

Hu, Weiming; Zhou, Xue; Li, Wei; Luo, Wenhan; Zhang, Xiaoqin; Maybank, Stephen

2013-05-01

In this paper, we present a framework for active contour-based visual tracking using level sets. The main components of our framework include contour-based tracking initialization, color-based contour evolution, adaptive shape-based contour evolution for non-periodic motions, dynamic shape-based contour evolution for periodic motions, and the handling of abrupt motions. For the initialization of contour-based tracking, we develop an optical flow-based algorithm for automatically initializing contours at the first frame. For the color-based contour evolution, Markov random field theory is used to measure correlations between values of neighboring pixels for posterior probability estimation. For adaptive shape-based contour evolution, the global shape information and the local color information are combined to hierarchically evolve the contour, and a flexible shape updating model is constructed. For the dynamic shape-based contour evolution, a shape mode transition matrix is learnt to characterize the temporal correlations of object shapes. For the handling of abrupt motions, particle swarm optimization is adopted to capture the global motion which is applied to the contour in the current frame to produce an initial contour in the next frame.

Tunneling probe of fluctuating superconductivity in disordered thin films

NASA Astrophysics Data System (ADS)

Dentelski, David; Frydman, Aviad; Shimshoni, Efrat; Dalla Torre, Emanuele G.

2018-03-01

Disordered thin films close to the superconductor-insulator phase transition (SIT) hold the key to understanding quantum phase transition in strongly correlated materials. The SIT is governed by superconducting quantum fluctuations, which can be revealed, for example, by tunneling measurements. These experiments detect a spectral gap, accompanied by suppressed coherence peaks, on both sides of the transition. Here we describe the insulating side in terms of a fluctuating superconducting field with finite-range correlations. We perform a controlled diagrammatic resummation and derive analytic expressions for the tunneling differential conductance. We find that short-range superconducting fluctuations suppress the coherence peaks even in the presence of long-range correlations. Our approach offers a quantitative description of existing measurements on disordered thin films and accounts for tunneling spectra with suppressed coherence peaks.

Focused Research Group in Correlated Electron and Complex Materials

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

Wang, Ziqiang

While the remarkable physical properties of correlated and complex electronic materials hold great promise for technological applications, one of the key values of the research in this field is its profound impact on fundamental physics. The transition metal oxides, pnictides, and chalcogenides play a key role and occupy an especially important place in this field. The basic reason is that the outer shell of transition metals contains the atomic d-orbitals that have small spatial extent, but not too small to behave as localized orbtials. These d-electrons therefore have a small wave function overlap in a solid, e.g. in an octahedralmore » environment, and form energy bands that are relatively narrow and on the scale of the short-range intra-atomic Coulomb repulsion (Hubbard U). In this intermediate correlation regime lies the challenge of the many-body physics responsible for new and unconventional physical properties. The study of correlated electron and complex materials represents both the challenge and the vitality of condensed matter and materials physics and often demands close collaborations among theoretical and experimental groups with complementary techniques. Our team has a track record and a long-term research goal of studying the unusual complexities and emergent behaviors in the charge, spin, and orbital sectors of the transition metal compounds in order to gain basic knowledge of the quantum electronic states of matter. During the funding period of this grant, the team continued their close collaborations between theory, angle-resolved photoemission spectroscopy, and scanning tunneling microscopy and made significant progress and contributions to the field of iron-based superconductors, copper-oxide high-temperature superconductors, triangular lattice transition metal oxide cobaltates, strontium ruthenates, spin orbital coupled iridates, as well as topological insulators and other topological quantum states of matter. These results include both new discoveries and the resolution to outstanding and unresolved issues. It should be emphasized that the DOE funding provided the crucial support for the close and meaningful collaborations of the focused research group that go far beyond simply putting the research papers from each group together. Indeed, the majority of the publications involved multiple PIs and collaborations between theory and experiments.« less

PREFACE: Strongly correlated electron systems Strongly correlated electron systems

NASA Astrophysics Data System (ADS)

Saxena, Siddharth S.; Littlewood, P. B.

2012-07-01

This special section is dedicated to the Strongly Correlated Electron Systems Conference (SCES) 2011, which was held from 29 August-3 September 2011, in Cambridge, UK. SCES'2011 is dedicated to 100 years of superconductivity and covers a range of topics in the area of strongly correlated systems. The correlated electronic and magnetic materials featured include f-electron based heavy fermion intermetallics and d-electron based transition metal compounds. The selected papers derived from invited presentations seek to deepen our understanding of the rich physical phenomena that arise from correlation effects. The focus is on quantum phase transitions, non-Fermi liquid phenomena, quantum magnetism, unconventional superconductivity and metal-insulator transitions. Both experimental and theoretical work is presented. Based on fundamental advances in the understanding of electronic materials, much of 20th century materials physics was driven by miniaturisation and integration in the electronics industry to the current generation of nanometre scale devices. The achievements of this industry have brought unprecedented advances to society and well-being, and no doubt there is much further to go—note that this progress is founded on investments and studies in the fundamentals of condensed matter physics from more than 50 years ago. Nevertheless, the defining challenges for the 21st century will lie in the discovery in science, and deployment through engineering, of technologies that can deliver the scale needed to have an impact on the sustainability agenda. Thus the big developments in nanotechnology may lie not in the pursuit of yet smaller transistors, but in the design of new structures that can revolutionise the performance of solar cells, batteries, fuel cells, light-weight structural materials, refrigeration, water purification, etc. The science presented in the papers of this special section also highlights the underlying interest in energy-dense materials, which make use of 'small' electrons packed to the highest possible density. These are by definition 'strongly correlated'. For example: good photovoltaics must be efficient optical absorbers, which means that photons will generate tightly bound electron-hole pairs (excitons) that must then be ionised at a heterointerface and transported to contacts; efficient solid state refrigeration depends on substantial entropy changes in a unit cell, with large local electrical or magnetic moments; efficient lighting is in a real sense the inverse of photovoltaics; the limit of an efficient battery is a supercapacitor employing mixed valent ions; fuel cells and solar to fuel conversion require us to understand electrochemistry on the scale of a single atom; and we already know that the only prospect for effective high temperature superconductivity involves strongly correlated materials. Even novel IT technologies are now seen to have value not just for novel function but also for efficiency. While strongly correlated electron systems continue to excite researchers and the public alike due to the fundamental science issues involved, it seems increasingly likely that support for the science will be leveraged by its impact on energy and sustainability. Strongly correlated electron systems contents Strongly correlated electron systemsSiddharth S Saxena and P B Littlewood Magnetism, f-electron localization and superconductivity in 122-type heavy-fermion metalsF Steglich, J Arndt, O Stockert, S Friedemann, M Brando, C Klingner, C Krellner, C Geibel, S Wirth, S Kirchner and Q Si High energy pseudogap and its evolution with doping in Fe-based superconductors as revealed by optical spectroscopyN L Wang, W Z Hu, Z G Chen, R H Yuan, G Li, G F Chen and T Xiang Structural investigations on YbRh2Si2: from the atomic to the macroscopic length scaleS Wirth, S Ernst, R Cardoso-Gil, H Borrmann, S Seiro, C Krellner, C Geibel, S Kirchner, U Burkhardt, Y Grin and F Steglich Confinement of chiral magnetic modulations in the precursor region of FeGeH Wilhelm, M Baenitz, M Schmidt, C Naylor, R Lortz, U K Rößler, A A Leonov and A N Bogdanov Antiferromagnetism in metals: from the cuprate superconductors to the heavy fermion materialsSubir Sachdev, Max A Metlitski and Matthias Punk Superconducting gap structure of the 115s revisitedF Ronning, J-X Zhu, Tanmoy Das, M J Graf, R C Albers, H B Rhee and W E Pickett Nonmagnetic ground states and phase transitions in the caged compounds PrT2Zn20 (T = Ru, Rh and Ir)T Onimaru, K T Matsumoto, N Nagasawa, Y F Inoue, K Umeo, R Tamura, K Nishimoto, S Kittaka, T Sakakibara and T Takabatake New universality class of quantum criticality in Ce- and Yb-based heavy fermionsShinji Watanabe and Kazumasa Miyake

Order-disorder transition of intrinsically disordered kinase inducible transactivation domain of CREB

NASA Astrophysics Data System (ADS)

Liu, Hao; Guo, Xiang; Han, Jingcheng; Luo, Ray; Chen, Hai-Feng

2018-06-01

Transcription factor cyclic Adenosine monophosphate response-element binding protein plays a critical role in the cyclic AMP response pathway via its intrinsically disordered kinase inducible transactivation domain (KID). KID is one of the most studied intrinsically disordered proteins (IDPs), although most previous studies focus on characterizing its disordered state structures. An interesting question that remains to be answered is how the order-disorder transition occurs at experimental conditions. Thanks to the newly developed IDP-specific force field ff14IDPSFF, the quality of conformer sampling for IDPs has been dramatically improved. In this study, molecular dynamics (MD) simulations were used to study the order-to-disorder transition kinetics of KID based on the good agreement with the experiment on its disordered-state properties. Specifically, we tested four force fields, ff99SBildn, ff99IDPs, ff14IDPSFF, and ff14IDPs in the simulations of KID and found that ff14IDPSFF can generate more diversified disordered conformers and also reproduce more accurate experimental secondary chemical shifts. Kinetics analysis of MD simulations demonstrates that the order-disorder transition of KID obeys the first-order kinetics, and the transition nucleus is I127/L128/L141. The possible transition pathways from the nucleus to the last folded residues were identified as I127-R125-L138-L141-S143-A145 and L128-R125-L138-L141-S143-A145 based on a residue-level dynamical network analysis. These computational studies not only provide testable prediction/hypothesis on the order-disorder transition of KID but also confirm that the ff14IDPSFF force field can be used to explore the correlation between the structure and function of IDPs.

Evaluation of gastric and small bowel transit times in coeliac disease with the small bowel PillCam®: a single centre study in a non gluten-free diet adult Italian population with coeliac disease.

PubMed

Urgesi, R; Cianci, R; Bizzotto, A; Costamagna, G; Riccioni, M E

2013-05-01

The mechanisms underlying bowel disturbances in coeliac disease are still relatively unclear. Past reports suggested that small bowel motor abnormalities may be involved in this pathological condition; there are no studies addressing small bowel transit in coeliac disease before and after a gluten-free diet. The objective of this study was to determine whether capsule endoscopy (CE) could serve as a test for measurement of gastric and small bowel transit times in a group of symptomatic or asymptomatic coeliac patients at the time of diagnosis with respect to a control group. Thirty coeliac untreated patients and 30 age-, sex- and BMI-matched healthy controls underwent CE assessment of whole gut transit times. All subjects completed the study per protocol and experienced natural passage of the pill. No statistical significant differences between gastric emptying and small bowel transit times both in coeliac and control group were found (p = 0.1842 and p = 0.7134; C.I. 95%, respectively). No correlation was found in coeliac patients and control group between transit times and age, sex and BMI. By using the Pearson's correlation test, significant correlation emerged between gastric emptying time and small bowel transit times in coeliac disease (r = 0.1706). CE reveals unrecognized gender differences and may be a novel outpatient technique for gut transit times' assessment without exposure to radiation and for the evaluation of upper gut dysfunction in healthy patients suffering from constipation without evidence of intestinal malabsorption. Nevertheless, CE does not seem to be the most suitable method for studying gut transit times in untreated coeliac patients; this might be ascribed to the fact that CE consists of inert (non-digestible, non-absorbable) substances.

Log-correlated random-energy models with extensive free-energy fluctuations: Pathologies caused by rare events as signatures of phase transitions

NASA Astrophysics Data System (ADS)

Cao, Xiangyu; Fyodorov, Yan V.; Le Doussal, Pierre

2018-02-01

We address systematically an apparent nonphysical behavior of the free-energy moment generating function for several instances of the logarithmically correlated models: the fractional Brownian motion with Hurst index H =0 (fBm0) (and its bridge version), a one-dimensional model appearing in decaying Burgers turbulence with log-correlated initial conditions and, finally, the two-dimensional log-correlated random-energy model (logREM) introduced in Cao et al. [Phys. Rev. Lett. 118, 090601 (2017), 10.1103/PhysRevLett.118.090601] based on the two-dimensional Gaussian free field with background charges and directly related to the Liouville field theory. All these models share anomalously large fluctuations of the associated free energy, with a variance proportional to the log of the system size. We argue that a seemingly nonphysical vanishing of the moment generating function for some values of parameters is related to the termination point transition (i.e., prefreezing). We study the associated universal log corrections in the frozen phase, both for logREMs and for the standard REM, filling a gap in the literature. For the above mentioned integrable instances of logREMs, we predict the nontrivial free-energy cumulants describing non-Gaussian fluctuations on the top of the Gaussian with extensive variance. Some of the predictions are tested numerically.

A review of the deformation behavior of tungsten at temperatures less than 0.2 of the melting point /K/

NASA Technical Reports Server (NTRS)

Stephens, J. R.

1974-01-01

The deformation behavior of tungsten at temperatures below 0.2 times the absolute melting temperature is reviewed with primary emphasis on the temperature dependence of the yield stress and the ductile-brittle transition. It is concluded that a model based on the high Peierls stress of tungsten best accounts for the observed mechanical behavior at low temperatures. Recent research suggests an important role of electron concentration and bonding on the mechanical behavior of tungsten. Future research on tungsten should include studies to define more clearly the correlation between electron concentration and mechanical behavior of alloys of tungsten and other transition metal alloys.

Review of deformation behavior of tungsten at temperature less than 0.2 absolute melting temperature

NASA Technical Reports Server (NTRS)

Stephens, J. R.

1972-01-01

The deformation behavior of tungsten at temperatures 0.2 T sub m is reviewed, with primary emphasis on the temperature dependence of the yield stress and the ductile-brittle transition temperature. It appears that a model based on the high Peierls stress of tungsten best accounts for the observed mechanical behavior at low temperatures. Recent research is discussed which suggests an important role of electron concentration and bonding on the mechanical behavior of tungsten. It is concluded that future research on tungsten should include studies to define more clearly the correlation between electron concentration and mechanical behavior of tungsten alloys and other transition metal alloys.

Predicting the glass transition temperature of bioactive glasses from their molecular chemical composition.

PubMed

Hill, Robert G; Brauer, Delia S

2011-10-01

A recently published paper (M.D. O'Donnell, Acta Biomaterialia 7 (2011) 2264-2269) suggests that it is possible to correlate the glass transition temperature (T(g)) of bioactive glasses with their molar composition, based on iterative least-squares fitting of published T(g) data. However, we show that the glass structure is an important parameter in determining T(g). Phase separation, local structural effects and components (intermediate oxides) which can switch their structural role in the glass network need to be taken into consideration, as they are likely to influence the glass transition temperature of bioactive glasses. Although the model suggested by O'Donnell works reasonably well for glasses within the composition range presented, it is oversimplified and fails for glasses outside certain compositional boundaries. Copyright © 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Kondo behavior and metamagnetic phase transition in the heavy-fermion compound CeBi2

NASA Astrophysics Data System (ADS)

Zhou, W.; Xu, C. Q.; Li, B.; Sankar, R.; Zhang, F. M.; Qian, B.; Cao, C.; Dai, J. H.; Lu, Jianming; Jiang, W. X.; Qian, Dong; Xu, Xiaofeng

2018-05-01

Heavy fermions represent an archetypal example of strongly correlated electron systems which, due to entanglement among different interactions, often exhibit exotic and fascinating physics involving Kondo screening, magnetism, and unconventional superconductivity. Here we report a comprehensive study on the transport and thermodynamic properties of a cerium-based heavy-fermion compound CeBi2 which undergoes an antiferromagnetic transition at TN˜3.3 K . Its high-temperature paramagnetic state is characterized by an enhanced heat capacity with Sommerfeld coefficient γ over 200 mJ mol-1K-2 . The magnetization in the magnetically ordered state features a metamagnetic transition. Remarkably, a large negative magnetoresistance associated with the magnetism was observed in a wide temperature and field-angle range. Collectively, CeBi2 may serve as an intriguing system to study the interplay between the f electrons and the itinerant Fermi sea.

Infrared reflectivity investigation of the phase transition sequence in Pr0.5Ca0.5MnO3

NASA Astrophysics Data System (ADS)

Ribeiro, J. L.; Vieira, L. G.; Gomes, I. T.; Araújo, J. P.; Tavares, P.; Almeida, B. G.

2016-06-01

This work reports an infrared reflectivity study of the phase transition sequence observed in Pr0.5Ca0.5MnO3. The need to measure over an extended spectral range in order to properly take into account the effects of the high frequency polaronic absorption is circumvented by adopting a simple approximate method, based on the asymmetry present in the Kramers Kronig inversion of the phonon spectrum. The temperature dependence of the phonon optical conductivity is then investigated by monitoring the behavior of three relevant spectral moments of the optical conductivity. This combined methodology allows us to disclose subtle effects of the orbital, charge and magnetic orders on the lattice dynamics of the compound. The characteristic transition temperatures inferred from the spectroscopic measurements are compared and correlated with those obtained from the temperature dependence of the induced magnetization and electrical resistivity.

Critical behavior of the extended Hubbard model with bond dimerization

NASA Astrophysics Data System (ADS)

Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.; Fehske, Holger

2018-05-01

Exploiting the matrix-product-state based density-matrix renormalization group (DMRG) technique we study the one-dimensional extended (U-V) Hubbard model with explicit bond dimerization in the half-filled band sector. In particular we investigate the nature of the quantum phase transition, taking place with growing ratio V / U between the symmetry-protected-topological and charge-density-wave insulating states. The (weak-coupling) critical line of continuous Ising transitions with central charge c = 1 / 2 terminates at a tricritical point belonging to the universality class of the dilute Ising model with c = 7 / 10 . We demonstrate that our DMRG data perfectly match with (tricritical) Ising exponents, e.g., for the order parameter β = 1 / 8 (1/24) and correlation length ν = 1 (5/9). Beyond the tricritical Ising point, in the strong-coupling regime, the quantum phase transition becomes first order.

Savannah River Region: Transition between the Gulf and Atlantic Coastal Plains. Proceedings

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

Zullo, V.A.; Harris, W.B.; Price, V.

1990-12-31

The focus of the this conference of Coastal Plains geologists was on the Savannah River region of Georgia and South Carolina, and particularly on the geology of the US Department of Energy`s 300 square mile Savannah River Site (SRS) in western South Carolina. Current geological studies indicate that the Mesozoic-Cenozoic section in the Savannah River region is transitional between that of the Gulf Coastal Plain to the southwest and that of the Atlantic Coastal Plain to the northeast. With the transitional aspect of the region as its theme, the first session was devoted to overviews of Cretaceous and Paleogene geologymore » in the Gulf and Atlantic Coastal Plains. Succeeding presentations and resulting discussions dealt with more specific problems in structural, lithostratigraphic, hydrological, biostratigraphic, and cyclostratigraphic analysis, and of correlation to standard stratigraphic frameworks. For these conference proceedings, individual papers have been processed separately for the Energy Data Base.« less

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.

Strongly correlated materials.

PubMed

Morosan, Emilia; Natelson, Douglas; Nevidomskyy, Andriy H; Si, Qimiao

2012-09-18

Strongly correlated materials are profoundly affected by the repulsive electron-electron interaction. This stands in contrast to many commonly used materials such as silicon and aluminum, whose properties are comparatively unaffected by the Coulomb repulsion. Correlated materials often have remarkable properties and transitions between distinct, competing phases with dramatically different electronic and magnetic orders. These rich phenomena are fascinating from the basic science perspective and offer possibilities for technological applications. This article looks at these materials through the lens of research performed at Rice University. Topics examined include: Quantum phase transitions and quantum criticality in "heavy fermion" materials and the iron pnictide high temperature superconductors; computational ab initio methods to examine strongly correlated materials and their interface with analytical theory techniques; layered dichalcogenides as example correlated materials with rich phases (charge density waves, superconductivity, hard ferromagnetism) that may be tuned by composition, pressure, and magnetic field; and nanostructure methods applied to the correlated oxides VO₂ and Fe₃O₄, where metal-insulator transitions can be manipulated by doping at the nanoscale or driving the system out of equilibrium. We conclude with a discussion of the exciting prospects for this class of materials. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Correlation-driven insulator-metal transition in near-ideal vanadium dioxide films

DOE PAGES

Gray, A. X.; Jeong, J.; Aetukuri, N. P.; ...

2016-03-18

We use polarization- and temperature-dependent x-ray absorption spectroscopy, in combination with photoelectron microscopy, x-ray diffraction, and electronic transport measurements, to study the driving force behind the insulator-metal transition in VO 2. We show that both the collapse of the insulating gap and the concomitant change in crystal symmetry in homogeneously strained single-crystalline VO 2 films are preceded by the purely electronic softening of Coulomb correlations within V-V singlet dimers. Furthermore, this process starts 7 K (±0.3 K) below the transition temperature, as conventionally defined by electronic transport and x-ray diffraction measurements, and sets the energy scale for driving the near-room-temperaturemore » insulator-metal transition in this technologically promising material.« less

Modification of turbulence and turbulent transport associated with a confinement transition in LAPD

NASA Astrophysics Data System (ADS)

Carter, Troy

2009-11-01

Azimuthal flow is driven in the edge of the Large Plasma Device (LAPD) through biasing a section of the vacuum vessel relative to the plasma source cathode. As the applied bias exceeds a threshold, a transition in radial particle confinement is observed, evidenced by a dramatic steepening in the density profile, similar to the L- to H-mode transition in toroidal confinement devices. The threshold behavior and dynamic behavior of radial transport is related to flow penetration and the degree of spatial overlap between the flow shear and density gradient profiles. An investigation of the changes in turbulence and turbulent particle transport associated with the confinement transition is presented. Two-dimensional cross-correlation measurements show that the spatial coherence of edge turbulence in LAPD changes significantly with biasing. The azimuthal correlation in the turbulence increases dramatically, while the radial correlation length is little altered. Turbulent amplitude is reduced at the transition, particularly in electric field fluctuations, but the dominant change observed is in the cross-phase between density and electric field fluctuations. The changes in cross-phase lead to a suppression and then apparent reversal of turbulent particle flux as the threshold is exceeded.

Simple Plans or Sophisticated Habits? State, Transition and Learning Interactions in the Two-Step Task.

PubMed

Akam, Thomas; Costa, Rui; Dayan, Peter

2015-12-01

The recently developed 'two-step' behavioural task promises to differentiate model-based from model-free reinforcement learning, while generating neurophysiologically-friendly decision datasets with parametric variation of decision variables. These desirable features have prompted its widespread adoption. Here, we analyse the interactions between a range of different strategies and the structure of transitions and outcomes in order to examine constraints on what can be learned from behavioural performance. The task involves a trade-off between the need for stochasticity, to allow strategies to be discriminated, and a need for determinism, so that it is worth subjects' investment of effort to exploit the contingencies optimally. We show through simulation that under certain conditions model-free strategies can masquerade as being model-based. We first show that seemingly innocuous modifications to the task structure can induce correlations between action values at the start of the trial and the subsequent trial events in such a way that analysis based on comparing successive trials can lead to erroneous conclusions. We confirm the power of a suggested correction to the analysis that can alleviate this problem. We then consider model-free reinforcement learning strategies that exploit correlations between where rewards are obtained and which actions have high expected value. These generate behaviour that appears model-based under these, and also more sophisticated, analyses. Exploiting the full potential of the two-step task as a tool for behavioural neuroscience requires an understanding of these issues.

Simple Plans or Sophisticated Habits? State, Transition and Learning Interactions in the Two-Step Task

PubMed Central

Akam, Thomas; Costa, Rui; Dayan, Peter

2015-01-01

The recently developed ‘two-step’ behavioural task promises to differentiate model-based from model-free reinforcement learning, while generating neurophysiologically-friendly decision datasets with parametric variation of decision variables. These desirable features have prompted its widespread adoption. Here, we analyse the interactions between a range of different strategies and the structure of transitions and outcomes in order to examine constraints on what can be learned from behavioural performance. The task involves a trade-off between the need for stochasticity, to allow strategies to be discriminated, and a need for determinism, so that it is worth subjects’ investment of effort to exploit the contingencies optimally. We show through simulation that under certain conditions model-free strategies can masquerade as being model-based. We first show that seemingly innocuous modifications to the task structure can induce correlations between action values at the start of the trial and the subsequent trial events in such a way that analysis based on comparing successive trials can lead to erroneous conclusions. We confirm the power of a suggested correction to the analysis that can alleviate this problem. We then consider model-free reinforcement learning strategies that exploit correlations between where rewards are obtained and which actions have high expected value. These generate behaviour that appears model-based under these, and also more sophisticated, analyses. Exploiting the full potential of the two-step task as a tool for behavioural neuroscience requires an understanding of these issues. PMID:26657806

The perspectives of femtosecond imaging and spectroscopy of complex materials using electrons

NASA Astrophysics Data System (ADS)

Ruan, Chong-Yu; Duxbury, Phiilp M.; Berz, Martin

2014-09-01

The coexistence of various electronic and structural phases that are close in free-energy is a hallmark in strongly correlated electron systems with emergent properties, such as metal-insulator transition, colossal magnetoresistance, and high-temperature superconductivity. The cooperative phase transitions from one functional state to another can involve entanglements between the electronically and structurally ordered states, hence deciphering the fundamental mechanisms is generally difficult and remains very active in condensed matter physics and functional materials research. We outline the recent ultrafast characterizations of 2D charge-density wave materials, including the nonequilibrium electron dynamics unveiled by ultrafast optical spectroscopy-based techniques sensitive to the electronic order parameter. We also describe the most recent findings from ultrafast electron crystallography, which provide structural aspects to correlate lattice dynamics with electronic evolutions to address the two sides of a coin in the ultrafast switching of a cooperative state. Combining these results brings forth new perspectives and a fuller picture in understanding lightmatter interactions and various switching mechanisms in cooperative systems with many potential applications. We also discuss the prospects of implementing new ultrafast electron imaging as a local probe incorporated with femtosecond select-area diffraction, imaging and spectroscopy to provide a full scope of resolution to tackle the more challenging complex phase transitions on the femtosecond-nanometer scale all at once based on a recent understanding of the spacespace- charge-driven emittance limitation on the ultimate performance of these devices. The projection shows promising parameter space for conducting ultrafast electron micordiffraction at close to single-shot level, which is supported by the latest experimental characterization of such a system.

A Definition of the Magnetic Transition Temperature Using Valence Bond Theory.

PubMed

Jornet-Somoza, Joaquim; Deumal, Mercè; Borge, Juan; Robb, Michael A

2018-03-01

Macroscopic magnetic properties are analyzed using Valence Bond theory. Commonly the critical temperature T C for magnetic systems is associated with a maximum in the energy-based heat capacity C p (T). Here a more broadly applicable definition of the magnetic transition temperature T C is described using the spin moment expectation value (i.e., applying the spin exchange density operator) instead of energy. Namely, the magnetic capacity C s (T) reflects variation in the spin multiplicity as a function of temperature, which is shown to be related to ∂[χT(T)]/∂T. Magnetic capacity C s (T) depends on long-range spin interactions that are not relevant in the energy-based heat capacity C p (T). Differences between C s (T) and C p (T) are shown to be due to spin order/disorder within the crystal that can be monitored via a Valence Bond analysis of the corresponding magnetic wave function. Indeed the concept of the Boltzmann spin-alignment order is used to provide information about the spin correlation between magnetic units. As a final illustration, the critical temperature is derived from the magnetic capacity for several molecular magnets presenting different magnetic topologies that have been experimentally studied. A systematic shift between the transition temperatures associated with C s (T) and C p (T) is observed. It is demonstrated that this shift can be attributed to the loss of long-range spin correlation. This suggests that the magnetic capacity C s (T) can be used as a predictive tool for the magnetic topology and thus for the synthetic chemists.

A colored petri nets based workload evaluation model and its validation through Multi-Attribute Task Battery-II.

PubMed

Wang, Peng; Fang, Weining; Guo, Beiyuan

2017-04-01

This paper proposed a colored petri nets based workload evaluation model. A formal interpretation of workload was firstly introduced based on the process that reflection of petri nets components to task. A petri net based description of Multiple Resources theory was given by comprehending it from a new angle. A new application of VACP rating scales named V/A-C-P unit, and the definition of colored transitions were proposed to build a model of task process. The calculation of workload mainly has the following four steps: determine token's initial position and values; calculate the weight of directed arcs on the basis of the rules proposed; calculate workload from different transitions, and correct the influence of repetitive behaviors. Verify experiments were carried out based on Multi-Attribute Task Battery-II software. Our results show that there is a strong correlation between the model values and NASA -Task Load Index scores (r=0.9513). In addition, this method can also distinguish behavior characteristics between different people. Copyright © 2016 Elsevier Ltd. All rights reserved.

Importance of correlation effects in hcp iron revealed by a pressure-induced electronic topological transition.

PubMed

Glazyrin, K; Pourovskii, L V; Dubrovinsky, L; Narygina, O; McCammon, C; Hewener, B; Schünemann, V; Wolny, J; Muffler, K; Chumakov, A I; Crichton, W; Hanfland, M; Prakapenka, V B; Tasnádi, F; Ekholm, M; Aichhorn, M; Vildosola, V; Ruban, A V; Katsnelson, M I; Abrikosov, I A

2013-03-15

We discover that hcp phases of Fe and Fe(0.9)Ni(0.1) undergo an electronic topological transition at pressures of about 40 GPa. This topological change of the Fermi surface manifests itself through anomalous behavior of the Debye sound velocity, c/a lattice parameter ratio, and Mössbauer center shift observed in our experiments. First-principles simulations within the dynamic mean field approach demonstrate that the transition is induced by many-electron effects. It is absent in one-electron calculations and represents a clear signature of correlation effects in hcp Fe.

A Pilot Study Examining Factors Influencing Readiness to Progress to Indirect Supervision Among First Year Residents in a General Psychiatry Training Program.

PubMed

Touchet, Bryan; Walker, Ashley; Flanders, Sarah; McIntosh, Heather

2018-04-01

In the first year of training, psychiatry residents progress from direct supervision to indirect supervision but factors predicting time to transition between these levels of supervision are unknown. This study aimed to examine times for transition to indirect levels of supervision and to identify resident factors associated with slower progression. The authors compiled data from training files from years 2011-2015, including licensing exam scores, age, gender, medical school, month of first inpatient psychiatry rotation, and transition times between levels of supervision. Correlational analysis examined the relationship between these factors. Univariate analysis further examined the relationship between medical school training and transition times between supervision levels. Among the factors studied, only international medical school training was positively correlated with time to transition to indirect supervision and between levels of indirect supervision. International medical graduate (IMG) interns in psychiatry training may benefit from additional training and support to reach competencies required for the transition to indirect supervision.

Principal component analysis for fermionic critical points

NASA Astrophysics Data System (ADS)

Costa, Natanael C.; Hu, Wenjian; Bai, Z. J.; Scalettar, Richard T.; Singh, Rajiv R. P.

2017-11-01

We use determinant quantum Monte Carlo (DQMC), in combination with the principal component analysis (PCA) approach to unsupervised learning, to extract information about phase transitions in several of the most fundamental Hamiltonians describing strongly correlated materials. We first explore the zero-temperature antiferromagnet to singlet transition in the periodic Anderson model, the Mott insulating transition in the Hubbard model on a honeycomb lattice, and the magnetic transition in the 1/6-filled Lieb lattice. We then discuss the prospects for learning finite temperature superconducting transitions in the attractive Hubbard model, for which there is no sign problem. Finally, we investigate finite temperature charge density wave (CDW) transitions in the Holstein model, where the electrons are coupled to phonon degrees of freedom, and carry out a finite size scaling analysis to determine Tc. We examine the different behaviors associated with Hubbard-Stratonovich auxiliary field configurations on both the entire space-time lattice and on a single imaginary time slice, or other quantities, such as equal-time Green's and pair-pair correlation functions.

Proceedings of RIKEN BNL Resarch Center Workshop: Fluctuations, Correlations and RHIC Low Energy Runs

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

Karsch, F.; Kojo, T.; Mukherjee, S.

Most of our visible universe is made up of hadronic matter. Quantum Chromodynamics (QCD) is the theory of strong interaction that describes the hadronic matter. However, QCD predicts that at high enough temperatures and/or densities ordinary hadronic matter ceases to exist and a new form of matter is created, the so-called Quark Gluon Plasma (QGP). Non-perturbative lattice QCD simulations shows that for high temperature and small densities the transition from the hadronic to the QCD matter is not an actual phase transition, rather it takes place via a rapid crossover. On the other hand, it is generally believed that atmore » zero temperature and high densities such a transition is an actual first order phase transition. Thus, in the temperature-density phase diagram of QCD, the first order phase transition line emanating from the zero temperature high density region ends at some higher temperature where the transition becomes a crossover. The point at which the first order transition line turns into a crossover is a second order phase transition point belonging to three dimensional Ising universality class. This point is known as the QCD Critical End Point (CEP). For the last couple of years the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory has been performing experiments at lower energies in search of the elusive QCD CEP. In general critical behaviors are manifested through appearance of long range correlations and increasing fluctuations associated with the presence of mass-less modes in the vicinity of a second order phase transition. Experimental signatures of the CEP are likely to be found in observables related to fluctuations and correlations. Thus, one of the major focuses of the RHIC low energy scan program is to measure various experimental observables connected to fluctuations and correlations. On the other hand, with the start of the RHIC low energy scan program, a flurry of activities are taking place to provide solid theoretical background for the search of the CEP using observables related to fluctuations and correlations. While new data are pouring in from the RHIC low energy scan program, many recent advances have also been made in the phenomenological and lattice gauge theory sides in order to have a better theoretical understanding of the wealth of new data. This workshop tried to create a synergy between the experimental, phenomenological and lattice QCD aspects of the fluctuation and correlation related studies of the RHIC low energy scan program. The workshop brought together all the leading experts from related fields under the same forum to share new ideas among themselves in order to streamline the continuing search of CEP in the RHIC low energy scan program.« less

Field signatures of non-Fickian transport processes: transit time distributions, spatial correlations, reversibility and hydrogeophysical imaging

NASA Astrophysics Data System (ADS)

Le Borgne, T.; Kang, P. K.; Guihéneuf, N.; Shakas, A.; Bour, O.; Linde, N.; Dentz, M.

2015-12-01

Non-Fickian transport phenomena are observed in a wide range of scales across hydrological systems. They are generally manifested by a broad range of transit time distributions, as measured for instance in tracer breakthrough curves. However, similar transit time distributions may be caused by different origins, including broad velocity distributions, flow channeling or diffusive mass transfer [1,2]. The identification of these processes is critical for defining relevant transport models. How can we distinguish the different origins of non-Fickian transport in the field? In this presentation, we will review recent experimental developments to decipher the different causes of anomalous transport, based on tracer tests performed at different scales in cross borehole and push pull conditions, and time lapse hydrogeophysical imaging of tracer motion [3,4]. References:[1] de Anna-, P., T. Le Borgne, M. Dentz, A. M. Tartakovsky, D. Bolster, P. Davy (2013) Flow Intermittency, Dispersion and Correlated Continuous Time Random Walks in Porous Media, Phys. Rev. Lett., 110, 184502 [2] Le Borgne T., Dentz M., and Carrera J. (2008) Lagrangian Statistical Model for Transport in Highly Heterogeneous Velocity Fields. Phys. Rev. Lett. 101, 090601 [3] Kang, P. K., T. Le Borgne, M. Dentz, O. Bour, and R. Juanes (2015), Impact of velocity correlation and distribution on transport in fractured media : Field evidence and theoretical model, Water Resour. Res., 51, 940-959 [4] Dorn C., Linde N., Le Borgne T., O. Bour and L. Baron (2011) Single-hole GPR reflection imaging of solute transport in a granitic aquifer Geophys. Res. Lett. Vol.38, L08401

Phase-field model of insulator-to-metal transition in VO2 under an electric field

NASA Astrophysics Data System (ADS)

Shi, Yin; Chen, Long-Qing

2018-05-01

The roles of an electric field and electronic doping in insulator-to-metal transitions are still not well understood. Here we formulated a phase-field model of insulator-to-metal transitions by taking into account both structural and electronic instabilities as well as free electrons and holes in VO2, a strongly correlated transition-metal oxide. Our phase-field simulations demonstrate that in a VO2 slab under a uniform electric field, an abrupt universal resistive transition occurs inside the supercooling region, in sharp contrast to the conventional Landau-Zener smooth electric breakdown. We also show that hole doping may decouple the structural and electronic phase transitions in VO2, leading to a metastable metallic monoclinic phase which could be stabilized through a geometrical confinement and the size effect. This work provides a general mesoscale thermodynamic framework for understanding the influences of electric field, electronic doping, and stress and strain on insulator-to-metal transitions and the corresponding mesoscale domain structure evolution in VO2 and related strongly correlated systems.

From the granular Leidenfrost state to buoyancy-driven convection.

PubMed

Rivas, Nicolas; Thornton, Anthony R; Luding, Stefan; van der Meer, Devaraj

2015-04-01

Grains inside a vertically vibrated box undergo a transition from a density-inverted and horizontally homogeneous state, referred to as the granular Leidenfrost state, to a buoyancy-driven convective state. We perform a simulational study of the precursors of such a transition and quantify their dynamics as the bed of grains is progressively fluidized. The transition is preceded by transient convective states, which increase their correlation time as the transition point is approached. Increasingly correlated convective flows lead to density fluctuations, as quantified by the structure factor, that also shows critical behavior near the transition point. The amplitude of the modulations in the vertical velocity field are seen to be best described by a quintic supercritical amplitude equation with an additive noise term. The validity of such an amplitude equation, and previously observed collective semiperiodic oscillations of the bed of grains, suggests a new interpretation of the transition analogous to a coupled chain of vertically vibrated damped oscillators. Increasing the size of the container shows metastability of convective states, as well as an overall invariant critical behavior close to the transition.

Glassy behavior and dynamic tweed in defect-free multiferroics

NASA Astrophysics Data System (ADS)

Wang, Xiaofei; Salje, Ekhard K. H.; Sun, Jun; Ding, Xiangdong

2018-01-01

Multiferroics often show significant elastic fluctuations even when the transition is strongly stepwise. Molecular dynamics simulations of a generic toy model show the appearance of tweed nanostructures (cross hatched patterns) in the paraelastic phase just above the transition point. This tweed lowers the elastic modulus C12 when approaching the transition temperature. The spatial and temporal correlations of the tweed structure follow the Vogel-Fulcher relationship, and the Vogel-Fulcher temperature is slightly below the transition temperature Ttrans, preventing this glassy state to freeze completely. Spatial correlations of shear strain show that the size of tweed patches reaches about eight lattice spacings near Ttrans. Cross- and rod-shaped diffuse scattering, similar to that in relaxors, emerges around {hh0}* and {h00}* Bragg reflections. The viscosity of the sample increases dramatically at the transition point with a significant precursor increase in the tweed regime.

Disorder-induced localization in crystalline phase-change materials.

PubMed

Siegrist, T; Jost, P; Volker, H; Woda, M; Merkelbach, P; Schlockermann, C; Wuttig, M

2011-03-01

Localization of charge carriers in crystalline solids has been the subject of numerous investigations over more than half a century. Materials that show a metal-insulator transition without a structural change are therefore of interest. Mechanisms leading to metal-insulator transition include electron correlation (Mott transition) or disorder (Anderson localization), but a clear distinction is difficult. Here we report on a metal-insulator transition on increasing annealing temperature for a group of crystalline phase-change materials, where the metal-insulator transition is due to strong disorder usually associated only with amorphous solids. With pronounced disorder but weak electron correlation, these phase-change materials form an unparalleled quantum state of matter. Their universal electronic behaviour seems to be at the origin of the remarkable reproducibility of the resistance switching that is crucial to their applications in non-volatile-memory devices. Controlling the degree of disorder in crystalline phase-change materials might enable multilevel resistance states in upcoming storage devices.

Rational Design and Tuning of Functional RNA Switch to Control an Allosteric Intermolecular Interaction.

PubMed

Endoh, Tamaki; Sugimoto, Naoki

2015-08-04

Conformational transitions of biomolecules in response to specific stimuli control many biological processes. In natural functional RNA switches, often called riboswitches, a particular RNA structure that has a suppressive or facilitative effect on gene expression transitions to an alternative structure with the opposite effect upon binding of a specific metabolite to the aptamer region. Stability of RNA secondary structure (-ΔG°) can be predicted based on thermodynamic parameters and is easily tuned by changes in nucleobases. We envisioned that tuning of a functional RNA switch that causes an allosteric interaction between an RNA and a peptide would be possible based on a predicted switching energy (ΔΔG°) that corresponds to the energy difference between the RNA secondary structure before (-ΔG°before) and after (-ΔG°after) the RNA conformational transition. We first selected functional RNA switches responsive to neomycin with predicted ΔΔG° values ranging from 5.6 to 12.2 kcal mol(-1). We then demonstrated a simple strategy to rationally convert the functional RNA switch to switches responsive to natural metabolites thiamine pyrophosphate, S-adenosyl methionine, and adenine based on the predicted ΔΔG° values. The ΔΔG° values of the designed RNA switches proportionally correlated with interaction energy (ΔG°interaction) between the RNA and peptide, and we were able to tune the sensitivity of the RNA switches for the trigger molecule. The strategy demonstrated here will be generally applicable for construction of functional RNA switches and biosensors in which mechanisms are based on conformational transition of nucleic acids.

Transition Analysis for the HIFiRE-1 Flight Experiment

NASA Technical Reports Server (NTRS)

Li, Fei; Choudhari, Meelan M.; Chang, Chau-Lyan; Kimmel, Roger; Adamczak, David; Smith, Mark S.

2011-01-01

The HIFiRE-1 flight experiment provided a valuable database pertaining to boundary layer transition over a 7-degree half-angle, circular cone model from supersonic to hypersonic Mach numbers, and a range of Reynolds numbers and angles of incidence. This paper reports the initial findings from the ongoing computational analysis pertaining to the measured in-flight transition behavior. Transition during the ascent phase at nearly zero degree angle of attack is dominated by second mode instabilities except in the vicinity of the cone meridian where a roughness element was placed midway along the length of the cone. The first mode instabilities were found to be weak at all trajectory points analyzed from the ascent phase. For times less than approximately 18.5 seconds into the flight, the peak amplification ratio for second mode disturbances is sufficiently small because of the lower Mach numbers at earlier times, so that the transition behavior inferred from the measurements is attributed to an unknown physical mechanism, potentially related to step discontinuities in surface height near the locations of a change in the surface material. Based on the time histories of temperature and/or heat flux at transducer locations within the aft portion of the cone, the onset of transition correlated with a linear PSE N-factor of approximately 14.

Correlation between active-learning coursework and student retention of core content during advanced pharmacy practice experiences.

PubMed

Lucas, Kristy H; Testman, Julie A; Hoyland, Marcella N; Kimble, Angel M; Euler, Mary L

2013-10-14

To implement an active-learning approach in a pharmacotherapy course sequence in the second year (P2) and third (P3) year of a doctor of pharmacy (PharmD) program and determine whether the pedagogical changes correlated with retention of core content in the fourth year (P4). Class sessions were transitioned from slides-based lectures to discussion-based active-learning pedagogy. A comprehensive examination was created and administered to assess student retention of therapeutic topics taught. Students demonstrated significantly improved overall scores on questions derived from the active-learning pedagogy used in Pharmacotherapy II and III compared to those derived from Pharmacotherapy I in which content was delivered by lecture. The use of active-learning strategies over lecture-based methods in pharmacotherapy courses resulted in higher retention of core content. Students' performance in areas taught using the discussion-based methodology was superior to that which was taught using lecture-based slide presentations.

Correlation Between Active-Learning Coursework and Student Retention of Core Content During Advanced Pharmacy Practice Experiences

PubMed Central

Testman, Julie A.; Hoyland, Marcella N.; Kimble, Angel M.; Euler, Mary L.

2013-01-01

Objective. To implement an active-learning approach in a pharmacotherapy course sequence in the second year (P2) and third (P3) year of a doctor of pharmacy (PharmD) program and determine whether the pedagogical changes correlated with retention of core content in the fourth year (P4). Design. Class sessions were transitioned from slides-based lectures to discussion-based active-learning pedagogy. Assessment. A comprehensive examination was created and administered to assess student retention of therapeutic topics taught. Students demonstrated significantly improved overall scores on questions derived from the active-learning pedagogy used in Pharmacotherapy II and III compared to those derived from Pharmacotherapy I in which content was delivered by lecture. Conclusion. The use of active-learning strategies over lecture-based methods in pharmacotherapy courses resulted in higher retention of core content. Students’ performance in areas taught using the discussion-based methodology was superior to that which was taught using lecture-based slide presentations. PMID:24159212

Comprehensive Validation of an Intermittency Transport Model for Transitional Low-Pressure Turbine Flows

NASA Technical Reports Server (NTRS)

Suzen, Y. B.; Huang, P. G.

2005-01-01

A transport equation for the intermittency factor is employed to predict transitional flows under the effects of pressure gradients, freestream turbulence intensities, Reynolds number variations, flow separation and reattachment. and unsteady wake-blade interactions representing diverse operating conditions encountered in low-pressure turbines. The intermittent behaviour of the transitional flows is taken into account and incorporated into computations by modifying the eddy viscosity, Mu(sub t), with the intermittency factor, gamma. Turbulent quantities are predicted by using Menter's two-equation turbulence model (SST). The onset location of transition is obtained from correlations based on boundary-layer momentum thickness, acceleration parameter, and turbulence intensity. The intermittency factor is obtained from a transport model which can produce both the experimentally observed streamwise variation of intermittency and a realistic profile in the cross stream direction. The intermittency transport model is tested and validated against several well documented low pressure turbine experiments ranging from flat plate cases to unsteady wake-blade interaction experiments. Overall, good agreement between the experimental data and computational results is obtained illustrating the predicting capabilities of the model and the current intermittency transport modelling approach for transitional flow simulations.

Non percolative nature of the metal-insulator transition and persistence of local Jahn-Teller distortions in the rhombohedral regime of La 1-xCa xMnO 3

DOE PAGES

Shatnawi, Mouath; Bozin, Emil S.; Mitchell, J. F.; ...

2016-04-25

Evolution of the average and local crystal structure of Ca-doped LaMnO 3 has been studied across the metal to insulator (MI) and the orthorhombic to rhombohedral (OR) structural phase transitions over a broad temperature range for two Ca concentrations (x = 0.18,0.22). Combined Rietveld and high real space resolution atomic pair distribution function (PDF) analysis of neutron total scattering data was carried out with aims of exploring the possibility of nanoscale phase separation (PS) in relation to MI transition, and charting the evolution of local Jahn-Teller (JT) distortion of MnO 6 octahedra across the OR transition at T S~720 K.more » The study utilized explicit two-phase PDF structural modeling, revealing that away from T MI there is no evidence for nanoscale phase coexistence. The local JT distortions disappear abruptly upon crossing into the metallic regime both with doping and temperature, with only a small temperature-independent signature of quenched disorder being observable at low temperature as compared to CaMnO 3. The results hence do not support the percolative scenario for the MI transition in La 1–xCa xMnO 3 based on PS, and question its ubiquity in the manganites. In contrast to LaMnO 3 that exhibits long-range orbital correlations and sizable octahedral distortions at low temperature, the doped samples with compositions straddling the MI boundary exhibit correlations (in the insulating regime) limited to only ~1 nm with observably smaller distortions. In the x = 0.22 sample local JT distortions are found to persist across the OR transition and deep into the R phase (up to ~1050 K), where they are crystallographically prohibited. As a result, their magnitude and subnanometer spatial extent remain unchanged.« less

Drought forecasting in Luanhe River basin involving climatic indices

NASA Astrophysics Data System (ADS)

Ren, Weinan; Wang, Yixuan; Li, Jianzhu; Feng, Ping; Smith, Ronald J.

2017-11-01

Drought is regarded as one of the most severe natural disasters globally. This is especially the case in Tianjin City, Northern China, where drought can affect economic development and people's livelihoods. Drought forecasting, the basis of drought management, is an important mitigation strategy. In this paper, we evolve a probabilistic forecasting model, which forecasts transition probabilities from a current Standardized Precipitation Index (SPI) value to a future SPI class, based on conditional distribution of multivariate normal distribution to involve two large-scale climatic indices at the same time, and apply the forecasting model to 26 rain gauges in the Luanhe River basin in North China. The establishment of the model and the derivation of the SPI are based on the hypothesis of aggregated monthly precipitation that is normally distributed. Pearson correlation and Shapiro-Wilk normality tests are used to select appropriate SPI time scale and large-scale climatic indices. Findings indicated that longer-term aggregated monthly precipitation, in general, was more likely to be considered normally distributed and forecasting models should be applied to each gauge, respectively, rather than to the whole basin. Taking Liying Gauge as an example, we illustrate the impact of the SPI time scale and lead time on transition probabilities. Then, the controlled climatic indices of every gauge are selected by Pearson correlation test and the multivariate normality of SPI, corresponding climatic indices for current month and SPI 1, 2, and 3 months later are demonstrated using Shapiro-Wilk normality test. Subsequently, we illustrate the impact of large-scale oceanic-atmospheric circulation patterns on transition probabilities. Finally, we use a score method to evaluate and compare the performance of the three forecasting models and compare them with two traditional models which forecast transition probabilities from a current to a future SPI class. The results show that the three proposed models outperform the two traditional models and involving large-scale climatic indices can improve the forecasting accuracy.

High-lying single-particle modes, chaos, correlational entropy, and doubling phase transition

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

Stoyanov, Chavdar; Zelevinsky, Vladimir

Highly excited single-particle states in nuclei are coupled with the excitations of a more complex character, first of all with collective phononlike modes of the core. In the framework of the quasiparticle-phonon model, we consider the structure of resulting complex configurations, using the 1k{sub 17/2} orbital in {sup 209}Pb as an example. Although, on the level of one- and two-phonon admixtures, the fully chaotic Gaussian orthogonal ensemble regime is not reached, the eigenstates of the model carry a significant degree of complexity that can be quantified with the aid of correlational invariant entropy. With artificially enhanced particle-core coupling, the systemmore » undergoes the doubling phase transition with the quasiparticle strength concentrated in two repelling peaks. This phase transition is clearly detected by correlational entropy.« less

Non-Congruence of Thermally Induced Structural and Electronic Transitions in VO2

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

Nag, Joyeeta; HaglundJr., Richard F; Payzant, E Andrew

2012-01-01

The multifunctional properties of vanadium dioxide (VO2) arise from coupled first-order phase transitions: an insulator-to-metal transition (IMT) and a structural phase transition (SPT) from monoclinic to tetragonal. The characteristic signatures of the IMT and SPT are the hysteresis loops that track the phase transition from nucleation to stabilization of a new phase and back. A long-standing question about the mechanism of the VO2 phase transition is whether and how the almost-simultaneous electronic and structural transitions are related. Here we report independent measurements of the IMT and SPT hystereses in epitaxial VO2 films with differing morphologies. We show that, in bothmore » cases, the hystereses are not congruent, that the structural change requires more energy to reach completion. This result is independent of nanoscale morphology, so that the non- congruence is an intrinsic property of the VO2 phase transition. Our conclusion is supported by effective-medium calculations of the dielectric function incorporating the measured volume fractions of the monoclinic and tetragonal states. The results are consistent with the existence of an monoclinic correlated metallic state in which the electron- electron correlations characteristic of the monoclinic state begin to disappear before the transition to the tetragonal structural state.« less

Measurements in a separation bubble on an airfoil using laser velocimetry

NASA Technical Reports Server (NTRS)

Fitzgerald, Edward J.; Mueller, Thomas J.

1990-01-01

An experimental investigation was conducted to measure the reverse flow within the transitional separation bubble that forms on an airfoil at low Reynolds numbers. Measurements were used to determine the effect of the reverse flow on integrated boundary-layer parameters often used to model the bubble. Velocity profile data were obtained on an NACA 663-018 airfoil at angle of attack of 12 deg and a chord Reynolds number of 140,000 using laser Doppler and single-sensor hot-wire anemometry. A new correlation is proposed based on zero velocity position, since the Schmidt (1986) correlations fail in the turbulent portion of the bubble.

Effect of long-range correlation on the metal-insulator transition in a disordered molecular crystal

NASA Astrophysics Data System (ADS)

Unge, Mikael; Stafström, Sven

2006-12-01

Localization lengths of the electronic states in a disordered two-dimensional system, resembling highly anisotropic molecular crystals such as pentacene, have been calculated numerically using the transfer matrix method. The disorder is based on a model with small random fluctuations of induced molecular dipole moments which give rise to long-range correlated disorder in the on-site energies as well as a coupling between the on-site energies and the intermolecular interactions. Our calculations show that molecular crystals such as pentacene can exhibit states with very long localization lengths with a possibility to reach a truly metallic state.

Nearly free electrons in a 5d delafossite oxide metal.

PubMed

Kushwaha, Pallavi; Sunko, Veronika; Moll, Philip J W; Bawden, Lewis; Riley, Jonathon M; Nandi, Nabhanila; Rosner, Helge; Schmidt, Marcus P; Arnold, Frank; Hassinger, Elena; Kim, Timur K; Hoesch, Moritz; Mackenzie, Andrew P; King, Phil D C

2015-10-01

Understanding the role of electron correlations in strong spin-orbit transition-metal oxides is key to the realization of numerous exotic phases including spin-orbit-assisted Mott insulators, correlated topological solids, and prospective new high-temperature superconductors. To date, most attention has been focused on the 5d iridium-based oxides. We instead consider the Pt-based delafossite oxide PtCoO2. Our transport measurements, performed on single-crystal samples etched to well-defined geometries using focused ion beam techniques, yield a room temperature resistivity of only 2.1 microhm·cm (μΩ-cm), establishing PtCoO2 as the most conductive oxide known. From angle-resolved photoemission and density functional theory, we show that the underlying Fermi surface is a single cylinder of nearly hexagonal cross-section, with very weak dispersion along k z . Despite being predominantly composed of d-orbital character, the conduction band is remarkably steep, with an average effective mass of only 1.14m e. Moreover, the sharp spectral features observed in photoemission remain well defined with little additional broadening for more than 500 meV below E F, pointing to suppressed electron-electron scattering. Together, our findings establish PtCoO2 as a model nearly-free-electron system in a 5d delafossite transition-metal oxide.

Nearly free electrons in a 5d delafossite oxide metal

PubMed Central

Kushwaha, Pallavi; Sunko, Veronika; Moll, Philip J. W.; Bawden, Lewis; Riley, Jonathon M.; Nandi, Nabhanila; Rosner, Helge; Schmidt, Marcus P.; Arnold, Frank; Hassinger, Elena; Kim, Timur K.; Hoesch, Moritz; Mackenzie, Andrew P.; King, Phil D. C.

2015-01-01

Understanding the role of electron correlations in strong spin-orbit transition-metal oxides is key to the realization of numerous exotic phases including spin-orbit–assisted Mott insulators, correlated topological solids, and prospective new high-temperature superconductors. To date, most attention has been focused on the 5d iridium-based oxides. We instead consider the Pt-based delafossite oxide PtCoO2. Our transport measurements, performed on single-crystal samples etched to well-defined geometries using focused ion beam techniques, yield a room temperature resistivity of only 2.1 microhm·cm (μΩ-cm), establishing PtCoO2 as the most conductive oxide known. From angle-resolved photoemission and density functional theory, we show that the underlying Fermi surface is a single cylinder of nearly hexagonal cross-section, with very weak dispersion along kz. Despite being predominantly composed of d-orbital character, the conduction band is remarkably steep, with an average effective mass of only 1.14me. Moreover, the sharp spectral features observed in photoemission remain well defined with little additional broadening for more than 500 meV below EF, pointing to suppressed electron-electron scattering. Together, our findings establish PtCoO2 as a model nearly-free–electron system in a 5d delafossite transition-metal oxide. PMID:26601308

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.

Developmental Patterns in the Understanding of Social and Physical Transitivity.

ERIC Educational Resources Information Center

Markovits, Henry; Dumas, Claude

1999-01-01

Two studies examined developmental patterns in understanding physical and social transitivity in 6- to 11-year olds. Findings revealed no significant correlations between social judgments and judgments concerning length. Results suggested that children possess two distinct strategies for making transitive judgments that correspond to the logical…

Relativistic radiationless transitions in atoms

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1978-01-01

The perturbing interaction appropriate for the Dirac-Fock formalism is used to formulate relativistic radiationless transitions. The transition rate between two jj-coupled many-electron configurations is expressed as a linear combination of radial integrals, suitable for numerical computation. The correlation and relaxation effects and the generalisation of the present work are discussed briefly.

A correlated ab initio study of the A2 pi <-- X2 sigma+ transition in MgCCH

NASA Technical Reports Server (NTRS)

Woon, D. E.

1997-01-01

The A2 pi <-- X2 sigma+ transition in MgCCH was studied with correlation consistent basis sets and single- and multireference correlation methods. The A2 pi excited state was characterized in detail; the x2 sigma+ ground state has been described elsewhere recently. The estimated complete basis set (CBS) limits for valence correlation, including zero-point energy corrections, are 22668, 23191, and 22795 for the RCCSD(T), MRCI, and MRCI + Q methods, respectively. A core-valence correction of +162 cm-1 shifts the RCCSD(T) value to 22830 cm-1, in good agreement with the experimental result of 22807 cm-1.

Thermal perturbation correlation of calcium binding Human centrin 3 and its structural changes

NASA Astrophysics Data System (ADS)

Pastrana-Rios, Belinda

2014-07-01

Perturbation-correlation moving-window two-dimensional (PCMW2D) correlation spectroscopy was applied for the determination of the individual transition temperatures of different vibrational modes located within structural components of a calcium binding protein known as Human centrin 3. This crucial information served to understand the contribution individual calcium binding sites made towards the stability of the EF-hand and therefore the protein without the use of probes. We are convinced that the general application of PCMW2D correlation spectroscopy can be applied to the study of proteins in general to ascertain the differences in the stability of structural motifs within proteins and its relationship to the actual transition temperature of unfolding.

Unveiling the Dependence of Glass Transitions on Mixing Thermodynamics in Miscible Systems

NASA Astrophysics Data System (ADS)

Tu, Wenkang; Wang, Yunxi; Li, Xin; Zhang, Peng; Tian, Yongjun; Jin, Shaohua; Wang, Li-Min

2015-02-01

The dependence of the glass transition in mixtures on mixing thermodynamics is examined by focusing on enthalpy of mixing, ΔHmix with the change in sign (positive vs. negative) and magnitude (small vs. large). The effects of positive and negative ΔHmix are demonstrated based on two isomeric systems of o- vs. m- methoxymethylbenzene (MMB) and o- vs. m- dibromobenzene (DBB) with comparably small absolute ΔHmix. Two opposite composition dependences of the glass transition temperature, Tg, are observed with the MMB mixtures showing a distinct negative deviation from the ideal mixing rule and the DBB mixtures having a marginally positive deviation. The system of 1, 2- propanediamine (12PDA) vs. propylene glycol (PG) with large and negative ΔHmix is compared with the systems of small ΔHmix, and a considerably positive Tg shift is seen. Models involving the properties of pure components such as Tg, glass transition heat capacity increment, ΔCp, and density, ρ, do not interpret the observed Tg shifts in the systems. In contrast, a linear correlation is revealed between ΔHmix and maximum Tg shifts.

Long-range correlations and charge transport properties of DNA sequences

NASA Astrophysics Data System (ADS)

Liu, Xiao-liang; Ren, Yi; Xie, Qiong-tao; Deng, Chao-sheng; Xu, Hui

2010-04-01

By using Hurst's analysis and transfer approach, the rescaled range functions and Hurst exponents of human chromosome 22 and enterobacteria phage lambda DNA sequences are investigated and the transmission coefficients, Landauer resistances and Lyapunov coefficients of finite segments based on above genomic DNA sequences are calculated. In a comparison with quasiperiodic and random artificial DNA sequences, we find that λ-DNA exhibits anticorrelation behavior characterized by a Hurst exponent 0.5

Risk of Psychiatric Disorders Following Symptomatic Menopausal Transition

PubMed Central

Hu, Li-Yu; Shen, Cheng-Che; Hung, Jeng-Hsiu; Chen, Pan-Ming; Wen, Chun-Hsien; Chiang, Yung-Yen; Lu, Ti

2016-01-01

Abstract Menopausal transition is highly symptomatic in at least 20% of women. A higher prevalence of psychiatric symptoms, including depression, anxiety, and sleep disturbance, has been shown in women with symptomatic menopausal transition. However, a clear correlation between symptomatic menopausal transition and psychiatric disorders has not been established. We explored the association between symptomatic menopausal transition and subsequent newly diagnosed psychiatric disorders, including schizophrenia as well as bipolar, depressive, anxiety, and sleep disorders. We investigated women who were diagnosed with symptomatic menopausal transition by an obstetrician-gynecologist according to the data in the Taiwan National Health Insurance Research Database. A comparison cohort comprised age-matched women without symptomatic menopausal transition. The incidence rate and the hazard ratios of subsequent newly diagnosed psychiatric disorders were evaluated in both cohorts, based on the diagnoses of psychiatrists. The symptomatic menopausal transition and control cohorts each consisted of 19,028 women. The incidences of bipolar disorders (hazard ratio [HR] = 1.69, 95% confidence interval [CI] = 1.01–2.80), depressive disorders (HR = 2.17, 95% CI = 1.93–2.45), anxiety disorders (HR = 2.11, 95% CI = 1.84–2.41), and sleep disorders (HR = 2.01, 95% CI = 1.73–2.34) were higher among the symptomatic menopausal transition women than in the comparison cohort. After stratifying for follow-up duration, the incidence of newly diagnosed bipolar disorders, depressive disorders, anxiety disorders, and sleep disorders following a diagnosis of symptomatic menopausal transition remained significantly increased in the longer follow-up groups (1–5 and ≥ 5 years). Symptomatic menopausal transition might increase the risk of subsequent newly onset bipolar disorders, depressive disorders, anxiety disorders, and sleep disorders. A prospective study is necessary to confirm these findings. PMID:26871843

Correlation energy functional within the GW -RPA: Exact forms, approximate forms, and challenges

NASA Astrophysics Data System (ADS)

Ismail-Beigi, Sohrab

2010-05-01

In principle, the Luttinger-Ward Green’s-function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact expressions for the correlation energy within the GW -random-phase approximation that are more amenable to computation and allow for developing efficient approximations to the self-energy operator and correlation energy. The exact form is a sum over differences between plasmon and interband energies. The approximate forms are based on summing over screened interband transitions. We also demonstrate that blind extremization of such functionals leads to unphysical results: imposing physical constraints on the allowed solutions (Green’s functions) is necessary. Finally, we present some relevant numerical results for atomic systems.

Calculating electronic correlation effects from densities of transitions

NASA Astrophysics Data System (ADS)

Haydock, Roger

Adding a localized electron to a system of interacting electrons induces a density of transitions described by the time-independent Heisenberg equation. Sequences of these transitions generate interacting states whose total energy is the sum of energies of the constituent transitions. A calculation of magnetic moments for itinerant electrons with Ising interactions illustrates this method. supported by the H. V. Snyder Gift to the University of Oregon.

Spin Hartree-Fock approach to studying quantum Heisenberg antiferromagnets in low dimensions

NASA Astrophysics Data System (ADS)

Werth, A.; Kopietz, P.; Tsyplyatyev, O.

2018-05-01

We construct a new mean-field theory for a quantum (spin-1/2) Heisenberg antiferromagnet in one (1D) and two (2D) dimensions using a Hartree-Fock decoupling of the four-point correlation functions. We show that the solution to the self-consistency equations based on two-point correlation functions does not produce any unphysical finite-temperature phase transition, in accord with the Mermin-Wagner theorem, unlike the common approach based on the mean-field equation for the order parameter. The next-neighbor spin-spin correlation functions, calculated within this approach, reproduce closely the strong renormalization by quantum fluctuations obtained via a Bethe ansatz in 1D and a small renormalization of the classical antiferromagnetic state in 2D. The heat capacity approximates with reasonable accuracy the full Bethe ansatz result at all temperatures in 1D. In 2D, we obtain a reduction of the peak height in the heat capacity at a finite temperature that is accessible by high-order 1 /T expansions.

Transitions in High-Arctic Vegetation Growth Patterns and Ecosystem Productivity from 2000-2013 Tracked with Cameras

NASA Astrophysics Data System (ADS)

Westergaard-Nielsen, A.; Hansen, B. U.; Klosterman, S.; Pedersen, S. H.; Schmidt, N. M.; Abermann, J.; Lund, M.

2015-12-01

The changes in vegetation seasonality in high northern latitudes resulting from changes atmospheric temperatures and precipitation are still not well understood. Continued monitoring and research is therefore needed. In this study we use 13 years of time lapse camera data and climate data from high-Arctic Northeast Greenland to assess the seasonal response of a dwarf shrub heath, grassland, and fens to snow cover, soil moisture, and atmospheric and soil temperatures. Based on the camera data, we computed a greenness index which was subsequently used to analyze transition dates in vegetation seasonality. We show that snow cover and subsequent water from the melting snow pack is highly important for the seasonality. We found a significant advancement in start of growing season of 12 days but not a significant increase in growing season length. Both the timing and greenness index value of peak of growing season was significantly correlated to the available water in the pre-melt snow pack, mostly pronounced in vegetation with limited soil water. The end of growing season was likewise significantly correlated to the water equivalents in the pre-melt snowpack. Moreover, the vegetation greenness was highly correlated to GPP, and shifts in seasonality as tracked by the greenness index are thus expected to have direct influence on ecosystem productivity.

Anomalous correlation effects and unique phase diagram of electron-doped FeSe revealed by photoemission spectroscopy

PubMed Central

Wen, C. H. P.; Xu, H. C.; Chen, C.; Huang, Z. C.; Lou, X.; Pu, Y. J.; Song, Q.; Xie, B. P.; Abdel-Hafiez, Mahmoud; Chareev, D. A.; Vasiliev, A. N.; Peng, R.; Feng, D. L.

2016-01-01

FeSe layer-based superconductors exhibit exotic and distinctive properties. The undoped FeSe shows nematicity and superconductivity, while the heavily electron-doped KxFe2−ySe2 and single-layer FeSe/SrTiO3 possess high superconducting transition temperatures that pose theoretical challenges. However, a comprehensive study on the doping dependence of an FeSe layer-based superconductor is still lacking due to the lack of a clean means of doping control. Through angle-resolved photoemission spectroscopy studies on K-dosed thick FeSe films and FeSe0.93S0.07 bulk crystals, here we reveal the internal connections between these two types of FeSe-based superconductors, and obtain superconductivity below ∼46 K in an FeSe layer under electron doping without interfacial effects. Moreover, we discover an exotic phase diagram of FeSe with electron doping, including a nematic phase, a superconducting dome, a correlation-driven insulating phase and a metallic phase. Such an anomalous phase diagram unveils the remarkable complexity, and highlights the importance of correlations in FeSe layer-based superconductors. PMID:26952215

Genetic evaluation of mastitis liability and recovery through longitudinal analysis of transition probabilities

PubMed Central

2012-01-01

Background Many methods for the genetic analysis of mastitis use a cross-sectional approach, which omits information on, e.g., repeated mastitis cases during lactation, somatic cell count fluctuations, and recovery process. Acknowledging the dynamic behavior of mastitis during lactation and taking into account that there is more than one binary response variable to consider, can enhance the genetic evaluation of mastitis. Methods Genetic evaluation of mastitis was carried out by modeling the dynamic nature of somatic cell count (SCC) within the lactation. The SCC patterns were captured by modeling transition probabilities between assumed states of mastitis and non-mastitis. A widely dispersed SCC pattern generates high transition probabilities between states and vice versa. This method can model transitions to and from states of infection simultaneously, i.e. both the mastitis liability and the recovery process are considered. A multilevel discrete time survival model was applied to estimate breeding values on simulated data with different dataset sizes, mastitis frequencies, and genetic correlations. Results Correlations between estimated and simulated breeding values showed that the estimated accuracies for mastitis liability were similar to those from previously tested methods that used data of confirmed mastitis cases, while our results were based on SCC as an indicator of mastitis. In addition, unlike the other methods, our method also generates breeding values for the recovery process. Conclusions The developed method provides an effective tool for the genetic evaluation of mastitis when considering the whole disease course and will contribute to improving the genetic evaluation of udder health. PMID:22475575

Diffusion of a particle in the spatially correlated exponential random energy landscape: Transition from normal to anomalous diffusion.

PubMed

Novikov, S V

2018-01-14

Diffusive transport of a particle in a spatially correlated random energy landscape having exponential density of states has been considered. We exactly calculate the diffusivity in the nondispersive quasi-equilibrium transport regime for the 1D transport model and found that for slow decaying correlation functions the diffusivity becomes singular at some particular temperature higher than the temperature of the transition to the true non-equilibrium dispersive transport regime. It means that the diffusion becomes anomalous and does not follow the usual ∝ t 1/2 law. In such situation, the fully developed non-equilibrium regime emerges in two stages: first, at some temperature there is the transition from the normal to anomalous diffusion, and then at lower temperature the average velocity for the infinite medium goes to zero, thus indicating the development of the true dispersive regime. Validity of the Einstein relation is discussed for the situation where the diffusivity does exist. We provide also some arguments in favor of conservation of the major features of the new transition scenario in higher dimensions.

Multiple Dirac cones and topological magnetism in honeycomb-monolayer transition metal trichalcogenides

NASA Astrophysics Data System (ADS)

Sugita, Yusuke; Miyake, Takashi; Motome, Yukitoshi

2018-01-01

The discovery of monolayer graphene has initiated two fertile fields in condensed matter physics: Dirac semimetals and atomically thin layered materials. When these trends meet again in transition metal compounds, which possess spin and orbital degrees of freedom and strong electron correlations, more exotic phenomena are expected to emerge in the cross section of topological states of matter and Mott physics. Here, we show by using ab initio calculations that a monolayer form of transition metal trichalcogenides (TMTs), which has a honeycomb network of 4 d and 5 d transition metal cations, may exhibit multiple Dirac cones in the electronic structure of the half-filled eg orbitals. The Dirac cones are gapped by the spin-orbit coupling under the trigonal lattice distortion and, hence, can be tuned by tensile strain. Furthermore, we show that electron correlations and carrier doping turn the multiple Dirac semimetal into a topological ferromagnet with high Chern number. Our findings indicate that the honeycomb-monolayer TMTs provide a good playground for correlated Dirac electrons and topologically nontrivial magnetism.

Correlation of transonic-cone preston-tube data and skin friction

NASA Technical Reports Server (NTRS)

Abu-Mostafa, A. S.; Reed, T. D.

1984-01-01

Preston-tube measurements obtained on the Arnold Engineering Development Center (AEDC) Transition Cone have been correlated with theoretical skin friction coefficients in transitional and turbulent flow. This has been done for the NASA Ames 11-Ft Transonic Wind Tunnel (11 TWT) and flight tests. The developed semi-empirical correlations of Preston-tube data have been used to derive a calibration procedure for the 11 TWT flow quality. This procedure has been applied to the corrected laminar data, and an effective freestream unit Reynolds number is defined by requiring a matching of the average Preston-tube pressure in flight and in the tunnel. This study finds that the operating Reynolds number is below the effective value required for a match in laminar Preston-tube data. The distribution of this effective Reynolds number with Mach number correlates well with the freestream noise level in this tunnel. Analyses of transitional and turbulent data, however, did not result in effective Reynolds numbers that can be correlated with background noise. This is a result of the fact that vorticity fluctuations present in transitional and turbulent boundary layers dominate Preston-tube pressure fluctuations and, therefore, mask the tunnel noise eff ects. So, in order to calibrate the effects of noise on transonic wind tunnel tests only laminar data should be used, preferably at flow conditions similar to those in flight tests. To calibrate the effects of transonic wind-tunnel noise on drag measurements, however, the Preston-tube data must be supplemented with direct measurements of skin friction.

Quantum Femtosecond Magnetism: Phase Transition in Step with Light in a Strongly Correlated Manganese Oxide

NASA Astrophysics Data System (ADS)

Wang, Jigang

2014-03-01

Research of non-equilibrium phase transitions of strongly correlated electrons is built around addressing an outstanding challenge: how to achieve ultrafast manipulation of competing magnetic/electronic phases and reveal thermodynamically hidden orders at highly non-thermal, femtosecond timescales? Recently we reveal a new paradigm called quantum femtosecond magnetism-photoinduced femtosecond magnetic phase transitions driven by quantum spin flip fluctuations correlated with laser-excited inter-atomic coherent bonding. We demonstrate an antiferromagnetic (AFM) to ferromagnetic (FM) switching during about 100 fs laser pulses in a colossal magneto-resistive manganese oxide. Our results show a huge photoinduced femtosecond spin generation, measured by magnetic circular dichroism, with photo-excitation threshold behavior absent in the picosecond dynamics. This reveals an initial quantum coherent regime of magnetism, while the optical polarization/coherence still interacts with the spins to initiate local FM correlations that compete with the surrounding AFM matrix. Our results thus provide a framework that explores quantum non-equilibrium kinetics to drive phase transitions between exotic ground states in strongly correlated elecrons, and raise fundamental questions regarding some accepted rules, such as free energy and adiabatic potential surface. This work is in collaboration with Tianqi Li, Aaron Patz, Leonidas Mouchliadis, Jiaqiang Yan, Thomas A. Lograsso, Ilias E. Perakis. This work was supported by the National Science Foundation (contract no. DMR-1055352). Material synthesis at the Ames Laboratory was supported by the US Department of Energy-Basic Energy Sciences (contract no. DE-AC02-7CH11358).

Levitation of current carrying states in the lattice model for the integer quantum Hall effect.

PubMed

Koschny, T; Potempa, H; Schweitzer, L

2001-04-23

The disorder driven quantum Hall to insulator transition is investigated for a two-dimensional lattice model. The Hall conductivity and the localization length are calculated numerically near the transition. For uncorrelated and weakly correlated disorder potentials the current carrying states are annihilated by the negative Chern states originating from the band center. In the presence of correlated disorder potentials with correlation length larger than approximately half the lattice constant the floating up of the critical states in energy without merging is observed. This behavior is similar to the levitation scenario proposed for the continuum model.

Mott Transition of MnO under Pressure: A Comparison of Correlated Band Theories

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

Kasinathan, Deepa; Kunes, Jan; Koepernik, K

The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local density approximation+Hubbard U (LDA+U), pseudopotential self-interaction correction (pseudo-SIC), the hybrid functional (combined local exchange plus Hartree-Fock exchange), and the local spin density SIC (SIC-LSD) method. Each method treats correlation among the five Mn 3d orbitals (per spin), including their hybridization with three O 2p orbitals in the valence bands and their changes with pressure. The focus is on comparison of the methods for rock salt MnO (neglecting the observed transition to the NiAs structure in the 90-100 GPamore » range). Each method predicts a first-order volume collapse, but with variation in the predicted volume and critical pressure. Accompanying the volume collapse is a moment collapse, which for all methods is from high-spin to low-spin ((5/2){yields}(1/2)), not to nonmagnetic as the simplest scenario would have. The specific manner in which the transition occurs varies considerably among the methods: pseudo-SIC and SIC-LSD give insulator-to-metal, while LDA+U gives insulator-to-insulator and the hybrid method gives an insulator-to-semimetal transition. Projected densities of states above and below the transition are presented for each of the methods and used to analyze the character of each transition. In some cases the rhombohedral symmetry of the antiferromagnetically ordered phase clearly influences the character of the transition.« less

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.

Analysis of transitions at two-fold redundant sites in mammalian genomes. Transition redundant approach-to-equilibrium (TREx) distance metrics

PubMed Central

Li, Tang; Chamberlin, Stephen G; Caraco, M Daniel; Liberles, David A; Gaucher, Eric A; Benner, Steven A

2006-01-01

Background The exchange of nucleotides at synonymous sites in a gene encoding a protein is believed to have little impact on the fitness of a host organism. This should be especially true for synonymous transitions, where a pyrimidine nucleotide is replaced by another pyrimidine, or a purine is replaced by another purine. This suggests that transition redundant exchange (TREx) processes at the third position of conserved two-fold codon systems might offer the best approximation for a neutral molecular clock, serving to examine, within coding regions, theories that require neutrality, determine whether transition rate constants differ within genes in a single lineage, and correlate dates of events recorded in genomes with dates in the geological and paleontological records. To date, TREx analysis of the yeast genome has recognized correlated duplications that established a new metabolic strategies in fungi, and supported analyses of functional change in aromatases in pigs. TREx dating has limitations, however. Multiple transitions at synonymous sites may cause equilibration and loss of information. Further, to be useful to correlate events in the genomic record, different genes within a genome must suffer transitions at similar rates. Results A formalism to analyze divergence at two fold redundant codon systems is presented. This formalism exploits two-state approach-to-equilibrium kinetics from chemistry. This formalism captures, in a single equation, the possibility of multiple substitutions at individual sites, avoiding any need to "correct" for these. The formalism also connects specific rate constants for transitions to specific approximations in an underlying evolutionary model, including assumptions that transition rate constants are invariant at different sites, in different genes, in different lineages, and at different times. Therefore, the formalism supports analyses that evaluate these approximations. Transitions at synonymous sites within two-fold redundant coding systems were examined in the mouse, rat, and human genomes. The key metric (f2), the fraction of those sites that holds the same nucleotide, was measured for putative ortholog pairs. A transition redundant exchange (TREx) distance was calculated from f2 for these pairs. Pyrimidine-pyrimidine transitions at these sites occur approximately 14% faster than purine-purine transitions in various lineages. Transition rate constants were similar in different genes within the same lineages; within a set of orthologs, the f2 distribution is only modest overdispersed. No correlation between disparity and overdispersion is observed. In rodents, evidence was found for greater conservation of TREx sites in genes on the X chromosome, accounting for a small part of the overdispersion, however. Conclusion The TREx metric is useful to analyze the history of transition rate constants within these mammals over the past 100 million years. The TREx metric estimates the extent to which silent nucleotide substitutions accumulate in different genes, on different chromosomes, with different compositions, in different lineages, and at different times. PMID:16545144

Gardner Transition in Physical Dimensions

NASA Astrophysics Data System (ADS)

Hicks, C. L.; Wheatley, M. J.; Godfrey, M. J.; Moore, M. A.

2018-06-01

The Gardner transition is the transition that at mean-field level separates a stable glass phase from a marginally stable phase. This transition has similarities with the de Almeida-Thouless transition of spin glasses. We have studied a well-understood problem, that of disks moving in a narrow channel, which shows many features usually associated with the Gardner transition. We show that some of these features are artifacts that arise when a disk escapes its local cage during the quench to higher densities. There is evidence that the Gardner transition becomes an avoided transition, in that the correlation length becomes quite large, of order 15 particle diameters, even in our quasi-one-dimensional system.

Quantum critical dynamics of the boson system in the Ginzburg-Landau model

NASA Astrophysics Data System (ADS)

Vasin, M. G.

2014-12-01

The quantum critical dynamics of the quantum phase transitions is considered. In the framework of the unified theory, based on the Keldysh technique, we consider the crossover from the classical to the quantum description of the boson many-body system dynamics close to the second order quantum phase transition. It is shown that in this case the upper critical space dimension of this model is dc+=2, therefore the quantum critical dynamics approach is useful in case of d<2. In the one-dimension system the phase coherence time does diverge at the quantum critical point, gc, and has the form of τ∝-ln∣g-gc∣/∣g-gc∣, the correlation radius diverges as rc∝∣g-gc∣(ν=0.6).

Stochastic resonance and MFPT in an asymmetric bistable system driven by correlated multiplicative colored noise and additive white noise

NASA Astrophysics Data System (ADS)

Shi, Pei-Ming; Li, Qun; Han, Dong-Ying

2017-06-01

This paper investigates a new asymmetric bistable model driven by correlated multiplicative colored noise and additive white noise. The mean first-passage time (MFPT) and the signal-to-noise ratio (SNR) as the indexes of evaluating the model are researched. Based on the two-state theory and the adiabatic approximation theory, the expressions of MFPT and SNR have been obtained for the asymmetric bistable system driven by a periodic signal, correlated multiplicative colored noise and additive noise. Simulation results show that it is easier to generate stochastic resonance (SR) to adjust the intensity of correlation strength λ. Meanwhile, the decrease of asymmetric coefficient r2 and the increase of noise intensity are beneficial to realize the transition between the two steady states in the system. At the same time, the twice SR phenomena can be observed by adjusting additive white noise and correlation strength. The influence of asymmetry of potential function on the MFPTs in two different directions is different.

Correlation functions in first-order phase transitions

NASA Astrophysics Data System (ADS)

Garrido, V.; Crespo, D.

1997-09-01

Most of the physical properties of systems underlying first-order phase transitions can be obtained from the spatial correlation functions. In this paper, we obtain expressions that allow us to calculate all the correlation functions from the droplet size distribution. Nucleation and growth kinetics is considered, and exact solutions are obtained for the case of isotropic growth by using self-similarity properties. The calculation is performed by using the particle size distribution obtained by a recently developed model (populational Kolmogorov-Johnson-Mehl-Avrami model). Since this model is less restrictive than that used in previously existing theories, the result is that the correlation functions can be obtained for any dependence of the kinetic parameters. The validity of the method is tested by comparison with the exact correlation functions, which had been obtained in the available cases by the time-cone method. Finally, the correlation functions corresponding to the microstructure developed in partitioning transformations are obtained.

Experimental Study of Hypersonic Inflatable Aerodynamic Decelerator (HIAD) Aeroshell with Axisymmetric Surface Deflection Patterns

NASA Technical Reports Server (NTRS)

Hollis, Brian R.; Hollingsworth, Kevin E.

2017-01-01

A wind tunnel test program was conducted to obtain aeroheating environment data on Hypersonic Inflatable Aerodynamic Decelerator aeroshells with flexible thermal protection systems. Data were obtained on a set of rigid wind tunnel models with surface deflection patterns of various heights that simulated a range of potential in-flight aeroshell deformations. Wind tunnel testing was conducted at Mach 6 at unit Reynolds numbers from 2.1 × 10(exp 6)/ft to 8.3 × 10(exp 6)/ft and angles of attack from 0 deg to 18 deg. Boundary-layer transition onset and global surface heating distribution measurements were performed using phosphor thermography and flow field images were obtained through schlieren photography. Surface deflections were found to both promote early transition of the boundary layer and to augment heating levels for both laminar and turbulent flows. A complimentary computational flow field study was also performed to provide heating predictions for comparison with the measurements as well as boundary layer flow field properties for use in correlating the data. Correlations of the wind tunnel data were developed to predict deflection effects on boundary layer transition and surface heating and were applied to both the wind tunnel test conditions and to the trajectory of NASA's successful IRVE-3 flight test. In general, the correlations produced at least qualitative agreement with the wind tunnel data, although the heating levels were underpredicted for some of the larger surface deflections. For the flight conditions, the correlations suggested that peak heating levels on the leeward side conical flank of the IRVE-3 vehicle may have exceeded those at nose for times late in the trajectory after the peak heating time point. However, the flight estimates were based on a conservative assumption of surface deflection magnitude (i.e., larger) than likely was produced in flight.

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.

Explosive synchronization transitions in complex neural networks.

PubMed

Chen, Hanshuang; He, Gang; Huang, Feng; Shen, Chuansheng; Hou, Zhonghuai

2013-09-01

It has been recently reported that explosive synchronization transitions can take place in networks of phase oscillators [Gómez-Gardeñes et al. Phys. Rev. Lett. 106, 128701 (2011)] and chaotic oscillators [Leyva et al. Phys. Rev. Lett. 108, 168702 (2012)]. Here, we investigate the effect of a microscopic correlation between the dynamics and the interacting topology of coupled FitzHugh-Nagumo oscillators on phase synchronization transition in Barabási-Albert (BA) scale-free networks and Erdös-Rényi (ER) random networks. We show that, if natural frequencies of the oscillations are positively correlated with node degrees and the width of the frequency distribution is larger than a threshold value, a strong hysteresis loop arises in the synchronization diagram of BA networks, indicating the evidence of an explosive transition towards synchronization of relaxation oscillators system. In contrast to the results in BA networks, in more homogeneous ER networks, the synchronization transition is always of continuous type regardless of the width of the frequency distribution. Moreover, we consider the effect of degree-mixing patterns on the nature of the synchronization transition, and find that the degree assortativity is unfavorable for the occurrence of such an explosive transition.

Explosive synchronization transitions in complex neural networks

NASA Astrophysics Data System (ADS)

Chen, Hanshuang; He, Gang; Huang, Feng; Shen, Chuansheng; Hou, Zhonghuai

2013-09-01

It has been recently reported that explosive synchronization transitions can take place in networks of phase oscillators [Gómez-Gardeñes et al. Phys. Rev. Lett. 106, 128701 (2011)] and chaotic oscillators [Leyva et al. Phys. Rev. Lett. 108, 168702 (2012)]. Here, we investigate the effect of a microscopic correlation between the dynamics and the interacting topology of coupled FitzHugh-Nagumo oscillators on phase synchronization transition in Barabási-Albert (BA) scale-free networks and Erdös-Rényi (ER) random networks. We show that, if natural frequencies of the oscillations are positively correlated with node degrees and the width of the frequency distribution is larger than a threshold value, a strong hysteresis loop arises in the synchronization diagram of BA networks, indicating the evidence of an explosive transition towards synchronization of relaxation oscillators system. In contrast to the results in BA networks, in more homogeneous ER networks, the synchronization transition is always of continuous type regardless of the width of the frequency distribution. Moreover, we consider the effect of degree-mixing patterns on the nature of the synchronization transition, and find that the degree assortativity is unfavorable for the occurrence of such an explosive transition.

Hierarchical Bayesian calibration of tidal orbit decay rates among hot Jupiters

NASA Astrophysics Data System (ADS)

Collier Cameron, Andrew; Jardine, Moira

2018-05-01

Transiting hot Jupiters occupy a wedge-shaped region in the mass ratio-orbital separation diagram. Its upper boundary is eroded by tidal spiral-in of massive, close-in planets and is sensitive to the stellar tidal dissipation parameter Q_s^'. We develop a simple generative model of the orbital separation distribution of the known population of transiting hot Jupiters, subject to tidal orbital decay, XUV-driven evaporation and observational selection bias. From the joint likelihood of the observed orbital separations of hot Jupiters discovered in ground-based wide-field transit surveys, measured with respect to the hyperparameters of the underlying population model, we recover narrow posterior probability distributions for Q_s^' in two different tidal forcing frequency regimes. We validate the method using mock samples of transiting planets with known tidal parameters. We find that Q_s^' and its temperature dependence are retrieved reliably over five orders of magnitude in Q_s^'. A large sample of hot Jupiters from small-aperture ground-based surveys yields log _{10} Q_s^' }=(8.26± 0.14) for 223 systems in the equilibrium-tide regime. We detect no significant dependence of Q_s^' on stellar effective temperature. A further 19 systems in the dynamical-tide regime yield log _{10} Q_s^' }=7.3± 0.4, indicating stronger coupling. Detection probabilities for transiting planets at a given orbital separation scale inversely with the increase in their tidal migration rates since birth. The resulting bias towards younger systems explains why the surface gravities of hot Jupiters correlate with their host stars' chromospheric emission fluxes. We predict departures from a linear transit-timing ephemeris of less than 4 s for WASP-18 over a 20-yr baseline.

The relation between the quantum discord and quantum teleportation: The physical interpretation of the transition point between different quantum discord decay regimes

NASA Astrophysics Data System (ADS)

Roszak, K.; Cywiński, Ł.

2015-10-01

We study quantum teleportation via Bell-diagonal mixed states of two qubits in the context of the intrinsic properties of the quantum discord. We show that when the quantum-correlated state of the two qubits is used for quantum teleportation, the character of the teleportation efficiency changes substantially depending on the Bell-diagonal-state parameters, which can be seen when the worst-case-scenario or best-case-scenario fidelity is studied. Depending on the parameter range, one of two types of single-qubit states is hardest/easiest to teleport. The transition between these two parameter ranges coincides exactly with the transition between the range of classical correlation decay and quantum correlation decay characteristic for the evolution of the quantum discord. The correspondence provides a physical interpretation for the prominent feature of the decay of the quantum discord.

The properties of the anti-tumor model with coupling non-Gaussian noise and Gaussian colored noise

NASA Astrophysics Data System (ADS)

Guo, Qin; Sun, Zhongkui; Xu, Wei

2016-05-01

The anti-tumor model with correlation between multiplicative non-Gaussian noise and additive Gaussian-colored noise has been investigated in this paper. The behaviors of the stationary probability distribution demonstrate that the multiplicative non-Gaussian noise plays a dual role in the development of tumor and an appropriate additive Gaussian colored noise can lead to a minimum of the mean value of tumor cell population. The mean first passage time is calculated to quantify the effects of noises on the transition time of tumors between the stable states. An increase in both the non-Gaussian noise intensity and the departure from the Gaussian noise can accelerate the transition from the disease state to the healthy state. On the contrary, an increase in cross-correlated degree will slow down the transition. Moreover, the correlation time can enhance the stability of the disease state.

Non-resonant collider signatures of a singlet-driven electroweak phase transition

NASA Astrophysics Data System (ADS)

Chen, Chien-Yi; Kozaczuk, Jonathan; Lewis, Ian M.

2017-08-01

We analyze the collider signatures of the real singlet extension of the Standard Model in regions consistent with a strong first-order electroweak phase transition and a singlet-like scalar heavier than the Standard Model-like Higgs. A definitive correlation exists between the strength of the phase transition and the trilinear coupling of the Higgs to two singlet-like scalars, and hence between the phase transition and non-resonant scalar pair production involving the singlet at colliders. We study the prospects for observing these processes at the LHC and a future 100 TeV pp collider, focusing particularly on double singlet production. We also discuss correlations between the strength of the electroweak phase transition and other observables at hadron and future lepton colliders. Searches for non-resonant singlet-like scalar pair production at 100 TeV would provide a sensitive probe of the electroweak phase transition in this model, complementing resonant di-Higgs searches and precision measurements. Our study illustrates a strategy for systematically exploring the phenomenologically viable parameter space of this model, which we hope will be useful for future work.

Comparative DMFT study of the eg-orbital Hubbard model in thin films

NASA Astrophysics Data System (ADS)

Rüegg, Andreas; Hung, Hsiang-Hsuan; Gull, Emanuel; Fiete, Gregory A.

2014-02-01

Heterostructures of transition-metal oxides have emerged as a new route to engineer electronic systems with desired functionalities. Motivated by these developments, we study a two-orbital Hubbard model in a thin-film geometry confined along the cubic [001] direction using the dynamical mean-field theory. We contrast the results of two approximate impurity solvers (exact diagonalization and one-crossing approximation) to the results of the numerically exact continuous-time quantum Monte Carlo solver. Consistent with earlier studies, we find that the one-crossing approximation performs well in the insulating regime, while the advantage of the exact-diagonalization-based solver is more pronounced in the metallic regime. We then investigate various aspects of strongly correlated eg-orbital systems in thin-film geometries. In particular, we show how the interfacial orbital polarization dies off quickly a few layers from the interface and how the film thickness affects the location of the interaction-driven Mott transition. In addition, we explore the changes in the electronic structure with varying carrier concentration and identify large variations of the orbital polarization in the strongly correlated regime.

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

Ding, Jun; Ma, Evan; Asta, Mark

Using molecular dynamics simulations, we have studied the atomic correlations characterizing the second peak in the radial distribution function (RDF) of metallic glasses and liquids. The analysis was conducted from the perspective of different connection schemes of atomic packing motifs, based on the number of shared atoms between two linked coordination polyhedra. The results demonstrate that the cluster connections by face-sharing, specifically with three common atoms, are most favored when transitioning from the liquid to glassy state, and exhibit the stiffest elastic response during shear deformation. These properties of the connections and the resultant atomic correlations are generally the samemore » for different types of packing motifs in different alloys. Splitting of the second RDF peak was observed for the inherent structure of the equilibrium liquid, originating solely from cluster connections; this trait can then be inherited in the metallic glass formed via subsequent quenching of the parent liquid through the glass transition, in the absence of any additional type of local structural order. In conclusion, increasing ordering and cluster connection during cooling, however, may tune the position and intensity of the split peaks.« less

Effects of fragility and reduced glass transition temperature on the glass formation ability of amorphous alloys

NASA Astrophysics Data System (ADS)

Xu, Xiao-Jin; Long, Zhi-Lin; Liu, Wei; Liao, Guang-Kai

2017-11-01

In this paper, based on the reduced glass transition temperature ({{T}rg} ) proposed by Turnbull and the relation between the glass-forming ability (GFA) and the short-range bond ordering of liquids demonstrated by Tanaka, a detailed analysis on the specific roles of {{T}rg} and fragility of the glass forming liquid (m) in characterizing the GFA has been conducted, and then a novel GFA parameter α [=2/3× (100{{T}rg}{)}-(16/100)× m=67{{T}rg}-0.16m] was put forward. This new GFA parameter α , which increases with a decrease in the critical cooling rate (R c) for glass formation, is a complex function of {{T}rg} and m. The relationship between R c and the parameter α was identified and verified using available literature data for broad range of amorphous alloys with widely varying GFA. The correlation coefficient (R 2) of 0.9 clearly shows an excellent correlation between GFA and the parameter α and that α is a more superior indicator compared to currently reported similar GFA parameters.

Contribution of substance use disorders on HIV treatment outcomes and antiretroviral medication adherence among HIV-infected persons entering jail.

PubMed

Chitsaz, Ehsan; Meyer, Jaimie P; Krishnan, Archana; Springer, Sandra A; Marcus, Ruthanne; Zaller, Nick; Jordan, Alison O; Lincoln, Thomas; Flanigan, Timothy P; Porterfield, Jeff; Altice, Frederick L

2013-10-01

HIV and substance use are inextricably intertwined. One-sixth of people living with HIV/AIDS (PLWHA) transition through the correctional system annually. There is paucity of evidence on the impact of substance use disorders on HIV treatment engagement among jail detainees. We examined correlates of HIV treatment in the largest sample of PLWHA transitioning through jail in 10 US sites from 2007 to 2011. Cocaine, alcohol, cannabis, and heroin were the most commonly used substances. Drug use severity was negatively and independently correlated with three outcomes just before incarceration: (1) having an HIV care provider (AOR = 0.28; 95 % CI 0.09-0.89); (2) being prescribed antiretroviral therapy (AOR = 0.12; 95 % CI 0.04-0.35) and (3) high levels (>95 %) of antiretroviral medication adherence (AOR = 0.18; 95 % CI 0.05-0.62). Demographic, medical and psychiatric comorbidity, and social factors also contributed to poor outcomes. Evidence-based drug treatments that include multi-faceted interventions, including medication-assisted therapies, are urgently needed to effectively engage this vulnerable population.

Application of the Trend Filtering Algorithm for Photometric Time Series Data

NASA Astrophysics Data System (ADS)

Gopalan, Giri; Plavchan, Peter; van Eyken, Julian; Ciardi, David; von Braun, Kaspar; Kane, Stephen R.

2016-08-01

Detecting transient light curves (e.g., transiting planets) requires high-precision data, and thus it is important to effectively filter systematic trends affecting ground-based wide-field surveys. We apply an implementation of the Trend Filtering Algorithm (TFA) to the 2MASS calibration catalog and select Palomar Transient Factory (PTF) photometric time series data. TFA is successful at reducing the overall dispersion of light curves, however, it may over-filter intrinsic variables and increase “instantaneous” dispersion when a template set is not judiciously chosen. In an attempt to rectify these issues we modify the original TFA from the literature by including measurement uncertainties in its computation, including ancillary data correlated with noise, and algorithmically selecting a template set using clustering algorithms as suggested by various authors. This approach may be particularly useful for appropriately accounting for variable photometric precision surveys and/or combined data sets. In summary, our contributions are to provide a MATLAB software implementation of TFA and a number of modifications tested on synthetics and real data, summarize the performance of TFA and various modifications on real ground-based data sets (2MASS and PTF), and assess the efficacy of TFA and modifications using synthetic light curve tests consisting of transiting and sinusoidal variables. While the transiting variables test indicates that these modifications confer no advantage to transit detection, the sinusoidal variables test indicates potential improvements in detection accuracy.

Metal-insulator transition and magnetic fluctuations in polycrystalline Ru1 -xRhxP investigated by 31P NMR

NASA Astrophysics Data System (ADS)

Li, Shang; Kobayashi, Yoshiaki; Itoh, Masayuki; Hirai, Daigorou; Takagi, Hidenori

2017-04-01

31P NMR measurements have been made on polycrystalline samples to study a metal-insulator (MI) transition and magnetic fluctuations in Ru1 -xRhxP which has metallic (M), pseudogap (PG), insulating (I), and superconducting (SC) phases. We find that RuP undergoes a crossover from the high-temperature (high-T ) M phase to the PG phase with the pseudo spin-gap behavior probed by the nuclear spin-lattice relaxation rate at TPG=330 K . The first-order MI transition is observed to take place from the PG phase to the low-T nonmagnetic I phase with the spin-gap energy of 1250 K at TMI=270 K . In the PG phase of Ru1 -xRhxP with 0 ≤x <0.45 , an analysis based on the modified Korringa relation, which is applicable to an itinerant paramagnet with weak electron correlation, shows that antiferromagnetic (AFM) fluctuations described in the random-phase approximation are enhanced in the low-T and low-x region. Around the PG-M phase boundary at xc˜0.45 , there is the SC phase whose normal state has negligible electron-electron interaction. We discuss the MI transition, the crossover from the M phase to the PG phase, and the magnetic properties of each phase based on the band structure.

Analysis of transitional separation bubbles on infinite swept wings

NASA Technical Reports Server (NTRS)

Davis, R. L.; Carter, J. E.

1986-01-01

A previously developed two-dimensional local inviscid-viscous interaction technique for the analysis of airfoil transitional separation bubbles, ALESEP (Airfoil Leading Edge Separation), has been extended for the calculation of transitional separation bubbles over infinite swept wings. As part of this effort, Roberts' empirical correlation, which is interpreted as a separated flow empirical extension of Mack's stability theory for attached flows, has been incorporated into the ALESEP procedure for the prediction of the transition location within the separation bubble. In addition, the viscous procedure used in the ALESEP techniques has been modified to allow for wall suction. A series of two-dimensional calculations is presented as a verification of the prediction capability of the interaction techniques with the Roberts' transition model. Numerical tests have shown that this two-dimensional natural transition correlation may also be applied to transitional separation bubbles over infinite swept wings. Results of the interaction procedure are compared with Horton's detailed experimental data for separated flow over a swept plate which demonstrates the accuracy of the present technique. Wall suction has been applied to a similar interaction calculation to demonstrate its effect on the separation bubble. The principal conclusion of this paper is that the prediction of transitional separation bubbles over two-dimensional or infinite swept geometries is now possible using the present interacting boundary layer approach.

Phase Transitions in Tetramethylammonium Hexachlorometalate Compounds (TMA) 2MCl 6 (M = U, Np, Pt, Sn, Hf, Zr)

DOE PAGES

Autillo, Matthieu; Wilson, Richard E.

2017-09-22

A study of the phase transitions occurring in tetramethylammonium hexachlorometalate compounds with M = U IV, Np IV, Zr IV, Sn IV, Hf IV and Pt IV were performed using single-crystal X-ray diffraction across the temperature range 120 - 400K. When the crystals were cooled, movement of the octahedral [MCl 6] 2- anions induces a phase transition from Fm3m to Fd3c with a doubling of the unit cell. For the actinide compounds, no correlation between the f-electron configuration and the transition temperature was observed, instead, a correlation between the transition temperatures and both the [MCl 6] 2- anion and themore » TMA cation size is highlighted. Two phase transitions were observed and characterized. The first phase transition occurs with the ordering of the TMA cation and the second from a rotation of the [MCl 6] 2- octahedra. A third phase transition was observed at lower temperatures and was ascribed to a tetragonal distortion of the [MCl 6] 2- anions. Synthesis and study of their deuterated compounds did not show a significant isotope effect. As a result, Raman spectra performed on the protonated and deuterated compounds indicate only weak hydrogen bonding interactions between the TMA cations and the [MCl 6] 2- octahedra.« less

Anismus: a marker of multi-site functional disorders?

PubMed

Bouchoucha, Michel; Devroede, Ghislain; Arsac, Michel

2004-07-01

This study was undertaken to assess the clinical significance of anismus in patients who complain of constipation. Thirty control subjects and 93 consecutive patients complaining of functional constipation took part in the study. Colonic transit time study and anorectal manometry were performed. Questions about depression and urinary and sexual diseases were added to a questionnaire based on the Rome II criteria, and visual analog scales about four items (constipation, diarrhoea, abdominal bloating and abdominal pain). Constipated patients have lower threshold sensation volume, lower constant sensation volume, and lower maximum tolerable volume than controls. Thirty-seven patients (40%) were found to have anismus, based on anorectal manometry. No significant difference was found between constipated patients with anismus and constipated patients without anismus, using anorectal manometry. Constipated patients had longer colorectal transit time than controls, but neither total nor segmental colonic transit time was correlated with the presence or absence of anismus. In patients with anismus, a higher frequency of oesophageal symptoms, dysmotility-like dyspepsia, aerophagia, functional bowel disorders, functional abdominal pain, soiling, and dyschezia was found. In addition, a higher frequency of urinary complaints, sexual complaints, and depression was found. Anismus was associated with increased awareness of constipation, abdominal bloating, and abdominal pain, but not with diarrhoea.

Osborne Reynolds pipe flow: direct numerical simulation from laminar to fully-developed turbulence

NASA Astrophysics Data System (ADS)

Adrian, R. J.; Wu, X.; Moin, P.; Baltzer, J. R.

2014-11-01

Osborne Reynolds' pipe experiment marked the onset of modern viscous flow research, yet the detailed mechanism carrying the laminar state to fully-developed turbulence has been quite elusive, despite notable progress related to dynamic edge-state theory. Here, we continue our direct numerical simulation study on this problem using a 250R long, spatially-developing pipe configuration with various Reynolds numbers, inflow disturbances, and inlet base flow states. For the inlet base flow, both fully-developed laminar profile and the uniform plug profile are considered. Inlet disturbances consist of rings of turbulence of different width and radial location. In all the six cases examined so far, energy norms show exponential growth with axial distance until transition after an initial decay near the inlet. Skin-friction overshoots the Moody's correlation in most, but not all, the cases. Another common theme is that lambda vortices amplified out of susceptible elements in the inlet disturbances trigger rapidly growing hairpin packets at random locations and times, after which infant turbulent spots appear. Mature turbulent spots in the pipe transition are actually tight concentrations of hairpin packets looking like a hairpin forest. The plug flow inlet profile requires much stronger disturbances to transition than the parabolic profile.

Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry.

PubMed

Bates, J E; Mezei, P D; Csonka, G I; Sun, J; Ruzsinszky, A

2017-01-10

Without extensive fitting, accurate prediction of transition metal chemistry is a challenge for semilocal and hybrid density funcitonals. The Random Phase Approximation (RPA) has been shown to yield superior results to semilocal functionals for main group thermochemistry, but much less is known about its performance for transition metals. We have therefore analyzed the behavior of reaction energies, barrier heights, and ligand dissociation energies obtained with RPA and compare our results to several semilocal and hybrid functionals. Particular attention is paid to the reference determinant dependence of RPA. We find that typically the results do not vary much between semilocal or hybrid functionals as a reference, as long as the fraction of exact exchange (EXX) mixing in the hybrid functional is small. For large fractions of EXX mixing, however, the Hartree-Fock-like nature of the determinant can severely degrade the performance. Overall, RPA systematically reduces the errors of semilocal functionals and delivers excellent performance from a single reference determinant for inherently multireference reactions. The behavior of dual hybrids that combine RPA correlation with a hybrid exchange energy was also explored, but ultimately did not lead to a systematic improvement compared to traditional RPA for these systems. We rationalize this conclusion by decomposing the contributions to the reaction energies, and briefly discuss the possible implications for double-hybrid functionals based on RPA. The correlation between EXX mixing and spin-symmetry breaking is also discussed.

Global Discontinuity Structure of the Mantle Transition Zone from Finite-Frequency Tomography of SS Precursors

NASA Astrophysics Data System (ADS)

Guo, Z.; Zhou, Y.

2017-12-01

We report global structure of the 410-km and 660-km discontinuities from finite-frequency tomography using frequency-dependent traveltime measurements of SS precursors recorded at the Global Seismological Network (GSN). Finite-frequency sensitivity kernels for discontinuity depth perturbations are calculated in the framework of traveling-wave mode coupling. We parametrize the global discontinuities using a set of spherical triangular grid points and solve the tomographic inverse problem based on singular value decomposition. Our global 410-km and 660-km discontinuity models reveal distinctly different characteristics beneath the oceans and subduction zones. In general, oceanic regions are associated with a thinner mantle transition zone and depth perturbations of the 410-km and 660-km discontinuities are anti-correlated, in agreement with a thermal origin and an overall warm and dry mantle beneath the oceans. The perturbations are not uniform throughout the oceans but show strong small-scale variations, indicating complex processes in the mantle transition zone. In major subduction zones (except for South America where data coverage is sparse), depth perturbations of the 410-km and 660-km discontinuities are correlated, with both the 410-km and the 660-km discontinuities occurring at greater depths. The distributions of the anomalies are consistent with cold stagnant slabs just above the 660-km discontinuity and ascending return flows in a superadiabatic upper mantle.

Convective heat transfer in a high aspect ratio minichannel heated on one side

DOE PAGES

Forrest, Eric C.; Hu, Lin -Wen; Buongiorno, Jacopo; ...

2015-10-21

Experimental results are presented for single-phase heat transfer in a narrow rectangular minichannel heated on one side. The aspect ratio and gap thickness of the test channel were 29:1 and 1.96 mm, respectively. Friction pressure drop and Nusselt numbers are reported for the transition and fully turbulent flow regimes, with Prandtl numbers ranging from 2.2 to 5.4. Turbulent friction pressure drop for the high aspect ratio channel is well-correlated by the Blasius solution when a modified Reynolds number, based upon a laminar equivalent diameter, is utilized. The critical Reynolds number for the channel falls between 3500 and 4000, with Nusseltmore » numbers in the transition regime being reasonably predicted by Gnielinski's correlation. The dependence of the heat transfer coefficient on the Prandtl number is larger than that predicted by circular tube correlations, and is likely a result of the asymmetric heating. The problem of asymmetric heating condition is approached theoretically using a boundary layer analysis with a two-region wall layer model, similar to that originally proposed by Prandtl. The analysis clarifies the influence of asymmetric heating on the Nusselt number and correctly predicts the experimentally observed trend with Prandtl number. Furthermore, a semi-analytic correlation is derived from the analysis that accounts for the effect of aspect ratio and asymmetric heating, and is shown to predict the experimental results of this study with a mean absolute error (MAE) of less than 5% for 4000 < Re < 70,000.« less

Intra- and inter-atomic optical transitions of Fe, Co, and Ni ferrocyanides studied using first-principles many-electron calculations

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

Watanabe, Shinta, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp; Sawada, Yuki; Nakaya, Masato

We have investigated the electronic structures and optical properties of Fe, Co, and Ni ferrocyanide nanoparticles using first-principles relativistic many-electron calculations. The overall features of the theoretical absorption spectra for Fe, Ni, and Co ferrocyanides calculated using a first-principles many-electron method well reproduced the experimental one. The origins of the experimental absorption spectra were clarified by performing a configuration analysis based on the many-electron wave functions. For Fe ferrocyanide, the experimental absorption peaks originated from not only the charge-transfer transitions from Fe{sup 2+} to Fe{sup 3+} but also the 3d-3d intra-transitions of Fe{sup 3+} ions. In addition, the spin crossovermore » transition of Fe{sup 3+} predicted by the many-electron calculations was about 0.24 eV. For Co ferrocyanide, the experimental absorption peaks were mainly attributed to the 3d-3d intra-transitions of Fe{sup 2+} ions. In contrast to the Fe and Co ferrocyanides, Ni ferrocyanide showed that the absorption peaks originated from the 3d-3d intra-transitions of Ni{sup 3+} ions in a low-energy region, while from both the 3d-3d intra-transitions of Fe{sup 2+} ions and the charge-transfer transitions from Fe{sup 2+} to Ni{sup 3+} in a high-energy region. These results were quite different from those of density-functional theory (DFT) calculations. The discrepancy between the results of DFT calculations and those of many-electron calculations suggested that the intra- and inter-atomic transitions of transition metal ions are significantly affected by the many-body effects of strongly correlated 3d electrons.« less

One-Way Deficit and Quantum Phase Transitions in XX Model

NASA Astrophysics Data System (ADS)

Wang, Yao-Kun; Zhang, Yu-Ran

2018-02-01

Quantum correlations including entanglement and quantum discord have drawn much attention in characterizing quantum phase transitions. Quantum deficit originates in questions regarding work extraction from quantum systems coupled to a heat bath (Oppenheim et al. Phys. Rev. Lett. 89, 180402, 2002). It links quantum thermodynamics with quantum correlations and provides a new standpoint for understanding quantum non-locality. In this paper, we evaluate the one-way deficit of two adjacent spins in the bulk for the XX model. In the thermodynamic limit, the XX model undergoes a first order transition from fully polarized to a critical phase with quasi-long-range order with decrease of quantum parameter. We find that the one-way deficit becomes nonzero after the critical point. Therefore, the one-way deficit characterizes the quantum phase transition in the XX model.

Hydrothermal mineralising systems as critical systems

NASA Astrophysics Data System (ADS)

Hobbs, Bruce

2015-04-01

Hydrothermal mineralising systems as critical systems. Bruce E Hobbs1,2, Alison Ord1 and Mark A. Munro1. 1. Centre for Exploration Targeting, The University of Western Australia, M006, 35 Stirling Highway, Crawley, WA 6009, Australia. 2. CSIRO Earth and Resource Engineering, Bentley, WA, Australia Hydrothermal mineralising systems are presented as large, open chemical reactors held far from equilibrium during their life-time by the influx of heat, fluid and dissolved chemical species. As such they are nonlinear dynamical systems and need to be analysed using the tools that have been developed for such systems. Hydrothermal systems undergo a number of transitions during their evolution and this paper focuses on methods for characterising these transitions in a quantitative manner and establishing whether they resemble first or second (critical) phase transitions or whether they have some other kind of nature. Critical phase transitions are characterised by long range correlations for some parameter characteristic of the system, power-law probability distributions so that there is no characteristic length scale and a high sensitivity to perturbations; as one approaches criticality, characteristic parameters for the system scale in a power law manner with distance from the critical point. The transitions undergone in mineralised hydrothermal systems are: (i) widespread, non-localised mineral alteration involving exothermic mineral reactions that produce hydrous silicate phases, carbonates and iron-oxides, (ii) strongly localised veining, brecciation and/or stock-work formation, (iii) a series of endothermic mineral reactions involving the formation of non-hydrous silicates, sulphides and metals such as gold, (iv) multiple repetitions of transitions (ii) and (iii). We have quantified aspects of these transitions in gold deposits from the Yilgarn craton of Western Australia using wavelet transforms. This technique is convenient and fast. It enables one to establish if the transition is multifractal (and if so, quantify the multifractal spectrum) and determine the scale dependence of long range correlations or anti-correlations. The availability of long drill holes with detailed chemical analyses and mineral abundances derived from hyperspectral data enables individual ore bodies to be characterised in a quantitative manner and constraints placed on whether the various transition are possibly critical or of some other form. We also present some simple nonlinear models that produce the multifractal character and correlation scaling relations observed in these data sets,

Modelling the effects of cerebral microvasculature morphology on oxygen transport.

PubMed

Park, Chang Sub; Payne, Stephen J

2016-01-01

The cerebral microvasculature plays a vital role in adequately supplying blood to the brain. Determining the health of the cerebral microvasculature is important during pathological conditions, such as stroke and dementia. Recent studies have shown the complex relationship between cerebral metabolic rate and transit time distribution, the transit times of all the possible pathways available dependent on network topology. In this paper, we extend a recently developed technique to solve for residue function, the amount of tracer left in the vasculature at any time, and transit time distribution in an existing model of the cerebral microvasculature to calculate cerebral metabolism. We present the mathematical theory needed to solve for oxygen concentration followed by results of the simulations. It is found that oxygen extraction fraction, the fraction of oxygen removed from the blood in the capillary network by the tissue, and cerebral metabolic rate are dependent on both mean and heterogeneity of the transit time distribution. For changes in cerebral blood flow, a positive correlation can be observed between mean transit time and oxygen extraction fraction, and a negative correlation between mean transit time and metabolic rate of oxygen. A negative correlation can also be observed between transit time heterogeneity and the metabolic rate of oxygen for a constant cerebral blood flow. A sensitivity analysis on the mean and heterogeneity of the transit time distribution was able to quantify their respective contributions to oxygen extraction fraction and metabolic rate of oxygen. Mean transit time has a greater contribution than the heterogeneity for oxygen extraction fraction. This is found to be opposite for metabolic rate of oxygen. These results provide information on the role of the cerebral microvasculature and its effects on flow and metabolism. They thus open up the possibility of obtaining additional valuable clinical information for diagnosing and treating cerebrovascular diseases. Copyright © 2015. Published by Elsevier Ltd.

Control of the metal-insulator transition in vanadium dioxide by modifying orbital occupancy

NASA Astrophysics Data System (ADS)

Aetukuri, Nagaphani B.; Gray, Alexander X.; Drouard, Marc; Cossale, Matteo; Gao, Li; Reid, Alexander H.; Kukreja, Roopali; Ohldag, Hendrik; Jenkins, Catherine A.; Arenholz, Elke; Roche, Kevin P.; Dürr, Hermann A.; Samant, Mahesh G.; Parkin, Stuart S. P.

2013-10-01

External control of the conductivity of correlated oxides is one of the most promising schemes for realizing energy-efficient electronic devices. Vanadium dioxide (VO2), an archetypal correlated oxide compound, undergoes a temperature-driven metal-insulator transition near room temperature with a concomitant change in crystal symmetry. Here, we show that the metal-insulator transition temperature of thin VO2(001) films can be changed continuously from ~285 to ~345K by varying the thickness of the RuO2 buffer layer (resulting in different epitaxial strains). Using strain-, polarization- and temperature-dependent X-ray absorption spectroscopy, in combination with X-ray diffraction and electronic transport measurements, we demonstrate that the transition temperature and the structural distortion across the transition depend on the orbital occupancy in the metallic state. Our findings open up the possibility of controlling the conductivity in atomically thin VO2 layers by manipulating the orbital occupancy by, for example, heterostructural engineering.

Thermal quantum coherence and correlation in the extended XY spin chain

NASA Astrophysics Data System (ADS)

Sha, Ya-Ting; Wang, Yue; Sun, Zheng-Hang; Hou, Xi-Wen

2018-05-01

Quantum coherence and correlation of thermal states in the extended XY spin chain are studied in terms of the recently proposed l1 norm, skew information, and Bures distance of geometry discord (BGD), respectively. The entanglement measured via concurrence is calculated for reference. A two-dimensional susceptibility is introduced to explore their capability in highlighting the critical lines associated with quantum phase transitions in the model. It is shown that the susceptibility of the skew information and BGD is a genuine indicator of quantum phase transitions, and characterizes the factorization. However, the l1 norm is trivial for the factorization. An explicit scaling law of BGD is captured at low temperature in the XY model. In contrast to the entanglement, quantum coherence reveals a kind of long-range nonclassical correlation. Moreover, the obvious relation among model parameters is extracted for the factorized line in the extended model. Those are instructive for the understanding of quantum coherence and correlation in the theory of quantum information, and quantum phase transitions and factorization in condensed-matter physics.

Correlation, Breit and Quantum Electrodynamics effects on energy level and transition properties of W54+ ion

NASA Astrophysics Data System (ADS)

Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong

2017-03-01

The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

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

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

Pathways for tailoring the magnetostructural behavior of FeRh-based systems

NASA Astrophysics Data System (ADS)

Barua, Radhika

2014-03-01

The prediction of phase transition temperatures in functional materials provides dual benefits of supplying insight into fundamental drivers underlying the phase transition, as well as enabling new and improved technological applications that employ the material. In this work, studies focused on understanding the magnetostructural phase transition of FeRh as a function of elemental substitution, provides guidance for tailoring phase transitions in this compound, with possible extensions to other intermetallic-based magnetostructural compounds. Clear trends in the magnetostructural temperatures (Tt) of alloys of composition Fe(Rh1-xMx) or (Fe1-xMx) Rh (M = 3 d, 4 d or 5 d transition metals), as reported in literature since 1961, were identified and confirmed as a function of the valence band electron concentration ((s + d) electrons/atom) of the system. It is observed that substitution of 3 dor 4 delements (x <= 6.5 at%) into B2-ordered FeRh compounds causes Ttto increase to a maximum around a critical valence band electron concentration (ev *) of 8.50 electrons/atom and then decrease. Substitution of 5 delements echoes this trend but with an overall increase in Ttand a shift in ev * to 8.52 electrons/atom. For ev>8.65 electrons/atom, FeRh-based alloys cease to adopt the B2-ordered crystallographic structure in favor of the chemically disordered A1-type structure or the ordered L10-type structure. This phenomenological model has been confirmed through synthesis and characterization of FeRh alloys with Cu, Ni and Au additions. The success of this model in confirming existing data trends in chemically-substituted FeRh and predicting new composition-transition temperature correlations emphasizes the strong interplay between the electronic spin configuration, the electronic band structure, and crystal lattice of this system. Further these results provide pathways for tailoring the magnetostructural behavior and the associated functional response of FeRh-based systems for potential technological applications. Research was performed under the auspices of the U.S. Department of Energy (Contract No. DE-SC0005250).

No Metallicity Correlation Associated with the Kepler Dichotomy

NASA Astrophysics Data System (ADS)

Munoz Romero, Carlos Eduardo; Kempton, Eliza

2018-01-01

NASA’s Kepler mission has discovered thousands of planetary systems, ∼ 20% of which are found to host multiple transiting planets. This relative paucity (compared to the high fraction of single transiting systems) is postulated to result from a distinction in the architecture between multi-transiting systems and those hosting a single transiting planet: a phenomenon usually referred to as the Kepler dichotomy. We investigate the hypothesis that external giant planets are the main cause behind the over-abundance of single- relative to multi-transiting systems, which would be signaled by higher metallicities in the former sample. To this end, we perform a statistical analysis on the stellar metallicity distribution with respect to planet multiplicity in the Kepler data. We perform our analysis on a variety of samples taken from a population of 1062 Kepler main sequence planetary hosts, using precisely determined metallicities from the California-Kepler survey. Contrary to some predictions, we do not find a significant difference between the stellar metallicities of the single- and multiple-transiting planet systems. However, we do find a 43% upper bound for systems with a single non-giant planet that could also host a hidden giant planet, based on metallicity considerations. While the presence of external giant planets might be one factor behind the Kepler dichotomy, our results also favor alternative explanations. We suggest that additional radial velocity and direct imaging measurements are necessary to constrain the presence of gas giants in systems with a single transiting planet.

0 - π Quantum transition in a carbon nanotube Josephson junction: Universal phase dependence and orbital degeneracy

NASA Astrophysics Data System (ADS)

Delagrange, R.; Weil, R.; Kasumov, A.; Ferrier, M.; Bouchiat, H.; Deblock, R.

2018-05-01

In a quantum dot hybrid superconducting junction, the behavior of the supercurrent is dominated by Coulomb blockade physics, which determines the magnetic state of the dot. In particular, in a single level quantum dot singly occupied, the sign of the supercurrent can be reversed, giving rise to a π-junction. This 0 - π transition, corresponding to a singlet-doublet transition, is then driven by the gate voltage or by the superconducting phase in the case of strong competition between the superconducting proximity effect and Kondo correlations. In a two-level quantum dot, such as a clean carbon nanotube, 0- π transitions exist as well but, because more cotunneling processes are allowed, are not necessarily associated to a magnetic state transition of the dot. In this proceeding, after a review of 0- π transitions in Josephson junctions, we present measurements of current-phase relation in a clean carbon nanotube quantum dot, in the single and two-level regimes. In the single level regime, close to orbital degeneracy and in a regime of strong competition between local electronic correlations and superconducting proximity effect, we find that the phase diagram of the phase-dependent transition is a universal characteristic of a discontinuous level-crossing quantum transition at zero temperature. In the case where the two levels are involved, the nanotube Josephson current exhibits a continuous 0 - π transition, independent of the superconducting phase, revealing a different physical mechanism of the transition.

Multimodel evaluation of cloud phase transition using satellite and reanalysis data

NASA Astrophysics Data System (ADS)

Cesana, G.; Waliser, D. E.; Jiang, X.; Li, J.-L. F.

2015-08-01

We take advantage of climate simulations from two multimodel experiments to characterize and evaluate the cloud phase partitioning in 16 general circulation models (GCMs), specifically the vertical structure of the transition between liquid and ice in clouds. We base our analysis on the ratio of ice condensates to the total condensates (phase ratio, PR). Its transition at 90% (PR90) and its links with other relevant variables are evaluated using the GCM-Oriented Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation Cloud Product climatology, reanalysis data, and other satellite observations. In 13 of 16 models, the PR90 transition height occurs too low (6 km to 8.4 km) and at temperatures too warm (-13.9°C to -32.5°C) compared to observations (8.6 km, -33.7°C); features consistent with a lack of supercooled liquid with respect to ice above 6.5 km. However, this bias would be slightly reduced by using the lidar simulator. In convective regimes (more humid air and precipitation), the observed cloud phase transition occurs at a warmer temperature than for subsidence regimes (less humid air and precipitation). Only few models manage to roughly replicate the observed correlations with humidity (5/16), vertical velocity (5/16), and precipitation (4/16); 3/16 perform well for all these parameters (MPI-ESM, NCAR-CAM5, and NCHU). Using an observation-based Clausius-Clapeyron phase diagram, we illustrate that the Bergeron-Findeisen process is a necessary condition for models to represent the observed features. Finally, the best models are those that include more complex microphysics.

Acoustics of laminar boundary layers breakdown

NASA Technical Reports Server (NTRS)

Wang, Meng

1994-01-01

Boundary layer flow transition has long been suggested as a potential noise source in both marine (sonar-dome self noise) and aeronautical (aircraft cabin noise) applications, owing to the highly transient nature of process. The design of effective noise control strategies relies upon a clear understanding of the source mechanisms associated with the unsteady flow dynamics during transition. Due to formidable mathematical difficulties, theoretical predictions either are limited to early linear and weakly nonlinear stages of transition, or employ acoustic analogy theories based on approximate source field data, often in the form of empirical correlation. In the present work, an approach which combines direct numerical simulation of the source field with the Lighthill acoustic analogy is utilized. This approach takes advantage of the recent advancement in computational capabilities to obtain detailed information about the flow-induced acoustic sources. The transitional boundary layer flow is computed by solving the incompressible Navier-Stokes equations without model assumptions, thus allowing a direct evaluation of the pseudosound as well as source functions, including the Lighthill stress tensor and the wall shear stress. The latter are used for calculating the radiated pressure field based on the Curle-Powell solution of the Lighthill equation. This procedure allows a quantitative assessment of noise source mechanisms and the associated radiation characteristics during transition from primary instability up to the laminar breakdown stage. In particular, one is interested in comparing the roles played by the fluctuating volume Reynolds stress and the wall-shear-stresses, and in identifying specific flow processes and structures that are effective noise generators.

Development of Modal Analysis for the Study of Global Modes in High Speed Boundary Layer Flows

NASA Astrophysics Data System (ADS)

Brock, Joseph Michael

Boundary layer transition for compressible flows remains a challenging and unsolved problem. In the context of high-speed compressible flow, transitional and turbulent boundary-layers produce significantly higher surface heating caused by an increase in skin-friction. The higher heating associated with transitional and turbulent boundary layers drives thermal protection systems (TPS) and mission trajectory bounds. Proper understanding of the mechanisms that drive transition is crucial to the successful design and operation of the next generation spacecraft. Currently, prediction of boundary-layer transition is based on experimental efforts and computational stability analysis. Computational analysis, anchored by experimental correlations, offers an avenue to assess/predict stability at a reduced cost. Classical methods of Linearized Stability Theory (LST) and Parabolized Stability Equations (PSE) have proven to be very useful for simple geometries/base flows. Under certain conditions the assumptions that are inherent to classical methods become invalid and the use of LST/PSE is inaccurate. In these situations, a global approach must be considered. A TriGlobal stability analysis code, Global Mode Analysis in US3D (GMAUS3D), has been developed and implemented into the unstructured solver US3D. A discussion of the methodology and implementation will be presented. Two flow configurations are presented in an effort to validate/verify the approach. First, stability analysis for a subsonic cylinder wake is performed and results compared to literature. Second, a supersonic blunt cone is considered to directly compare LST/PSE analysis and results generated by GMAUS3D.

Optical characteristics of p-type GaAs-based semiconductors towards applications in photoemission infrared detectors

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

Lao, Y. F.; Perera, A. G. U., E-mail: uperera@gsu.edu; Center for Nano-Optics

2016-03-14

Free-carrier effects in a p-type semiconductor including the intra-valence-band and inter-valence-band optical transitions are primarily responsible for its optical characteristics in infrared. Attention has been paid to the inter-valence-band transitions for the development of internal photoemission (IPE) mid-wave infrared (MWIR) photodetectors. The hole transition from the heavy-hole (HH) band to the spin-orbit split-off (SO) band has demonstrated potential applications for 3–5 μm detection without the need of cooling. However, the forbidden SO-HH transition at the Γ point (corresponding to a transition energy Δ{sub 0}, which is the split-off gap between the HH and SO bands) creates a sharp drop around 3.6 μmmore » in the spectral response of p-type GaAs/AlGaAs detectors. Here, we report a study on the optical characteristics of p-type GaAs-based semiconductors, including compressively strained InGaAs and GaAsSb, and a dilute magnetic semiconductor, GaMnAs. A model-independent fitting algorithm was used to derive the dielectric function from experimental reflection and transmission spectra. Results show that distinct absorption dip at Δ{sub 0} is observable in p-type InGaAs and GaAsSb, while GaMnAs displays enhanced absorption without degradation around Δ{sub 0}. This implies the promise of using GaMnAs to develop MWIR IPE detectors. Discussions on the optical characteristics correlating with the valence-band structure and free-hole effects are presented.« less

Microstructure evolution characteristics induced by oxygen vacancy generation in anatase TiO2 based resistive switching devices

NASA Astrophysics Data System (ADS)

Liu, Chen; Gao, Bin; Huang, Peng; Kang, Jinfeng

2017-03-01

In this work, first principle calculations are employed to study the microstructure characteristics of the anatase TiO2 resistive switching material associated with the generation of oxygen vacancy (V o) based nanofilaments during the switching process. The calculations indicate that both the magnéli phase Ti4O7 and V o-defect phase of anatase TiO2 may be formed with the generation of oxygen vacancies during the forming and SET processes. Based on the calculations, a new physical insight is proposed to clarify the microstructure evolution characteristics of the anatase TiO2 resistive switching material and the correlation with resistive switching behaviors. During the forming or SET process, the anatase TiO2 is first excited to a transition state with the generation of oxygen vacancies, then fully relaxes to a stable V o-defect state. This V o-defect state may either recover to the original state with the recombination of the oxygen vacancies, which causes the reversible resistive switching behavior, or further transform to a much more stable state—the magnéli phase Ti4O7, through a phase transition process with the generation of many more oxygen vacancies. The phase transition from V o- defective anatase phase to magnéli phase Ti4O7 causes the failure of the resistive switching due to the significantly reduced possibility of the reversible phase transition from the magnéli phase to the anatase phase, compared with the possibility of the recombination from the V o-defective anatase.

Phonon-induced ultrafast band gap control in LaTiO3

NASA Astrophysics Data System (ADS)

Gu, Mingqiang; Rondinelli, James M.

We propose a route for ultrafast band gap engineering in correlated transition metal oxides by using optically driven phonons. We show that the ∖Gamma-point electron band energies can be deterministically tuned in the nonequilibrium state. Taking the Mott insulator LaTiO3 as an example, we show that such phonon-assisted processes dynamically induce an indirect-to-direct band gap transition or even a metal-to-insulator transition, depending on the electron correlation strength. We explain the origin of the dynamical band structure control and also establish its generality by examining related oxides. Lastly, we describe experimental routes to realize the band structure control with impulsive stimulated Raman scattering.

Double counting in the density functional plus dynamical mean-field theory of transition metal oxides

NASA Astrophysics Data System (ADS)

Dang, Hung

2015-03-01

Recently, the combination of density functional theory (DFT) and dynamical mean-field theory (DMFT) has become a widely-used beyond-mean-field approach for strongly correlated materials. However, not only is the correlation treated in DMFT but also in DFT to some extent, a problem arises as the correlation is counted twice in the DFT+DMFT framework. The correction for this problem is still not well-understood. To gain more understanding of this ``double counting'' problem, I provide a detailed study of the metal-insulator transition in transition metal oxides in the subspace of oxygen p and transition metal correlated d orbitals using DFT+DMFT. I will show that the fully charge self-consistent DFT+DMFT calculations with the standard ``fully-localized limit'' (FLL) double counting correction fail to predict correctly materials such as LaTiO3, LaVO3, YTiO3 and SrMnO3 as insulators. Investigations in a wide range of the p- d splitting, the d occupancy, the lattice structure and the double counting correction itself will be presented to understand the reason behind this failure. I will also show that if the double counting correction is chosen to reproduce the p- d splitting consistent with experimental data, the DFT+DMFT approach can still give reasonable results in comparison with experiments.

Optimal resource diffusion for suppressing disease spreading in multiplex networks

NASA Astrophysics Data System (ADS)

Chen, Xiaolong; Wang, Wei; Cai, Shimin; Stanley, H. Eugene; Braunstein, Lidia A.

2018-05-01

Resource diffusion is a ubiquitous phenomenon, but how it impacts epidemic spreading has received little study. We propose a model that couples epidemic spreading and resource diffusion in multiplex networks. The spread of disease in a physical contact layer and the recovery of the infected nodes are both strongly dependent upon resources supplied by their counterparts in the social layer. The generation and diffusion of resources in the social layer are in turn strongly dependent upon the state of the nodes in the physical contact layer. Resources diffuse preferentially or randomly in this model. To quantify the degree of preferential diffusion, a bias parameter that controls the resource diffusion is proposed. We conduct extensive simulations and find that the preferential resource diffusion can change phase transition type of the fraction of infected nodes. When the degree of interlayer correlation is below a critical value, increasing the bias parameter changes the phase transition from double continuous to single continuous. When the degree of interlayer correlation is above a critical value, the phase transition changes from multiple continuous to first discontinuous and then to hybrid. We find hysteresis loops in the phase transition. We also find that there is an optimal resource strategy at each fixed degree of interlayer correlation under which the threshold reaches a maximum and the disease can be maximally suppressed. In addition, the optimal controlling parameter increases as the degree of inter-layer correlation increases.

Mixed-order phase transition in a one-dimensional model.

PubMed

Bar, Amir; Mukamel, David

2014-01-10

We introduce and analyze an exactly soluble one-dimensional Ising model with long range interactions that exhibits a mixed-order transition, namely a phase transition in which the order parameter is discontinuous as in first order transitions while the correlation length diverges as in second order transitions. Such transitions are known to appear in a diverse classes of models that are seemingly unrelated. The model we present serves as a link between two classes of models that exhibit a mixed-order transition in one dimension, namely, spin models with a coupling constant that decays as the inverse distance squared and models of depinning transitions, thus making a step towards a unifying framework.

Clinical application of a gadolinium-based capsule as an MRI contrast agent in slow transit constipation diagnostics.

PubMed

Zhi, M; Zhou, Z; Chen, H; Xiong, F; Huang, J; He, H; Zhang, M; Su, M; Gao, X; Hu, P

2017-06-01

As a traditional method for the assessment of colon dynamics, radio-opaque markers (ROMs) are limited in clinical use because of their ionizing radiation. We compared the accuracy and applicability of gadolinium-based capsules with ROMs in the measurement of colon dynamics in healthy controls and slow transit constipation (STC) patients. Seven patients with STC and nine healthy controls under a normal diet orally consumed ROMs and gadolinium-based capsules simultaneously. All subjects underwent X-ray and magnetic resonance imaging (MRI). Healthy control images were acquired at 12, 24, and 48 h, and STC patient images were acquired at 24, 48, and 72 h. The scores based on the position of the labeling capsules and ROMs in the colon and the colon transit times (CTTs) in the two groups were compared. The CTTs obtained via the ROMs were 34.7±17.4 and 67.3±6.5 h in the healthy controls and STC patients, respectively (P<.05). The CTTs obtained via MRI were 30.9±15.9 and 74.1±7.2 h in the healthy controls and STC patients, respectively (P<.05). The CTTs of the STC patients were significantly longer than the healthy controls. The correlation (r s ) between the scores based on the position of the labeling capsule and ROMs in the healthy group and the STC patients was .880 (P<.05) and .889 (P<.05), respectively. As a MRI contrast label, gadolinium-based capsules exhibit results comparable to ROMs in colon motility measurements. © 2017 John Wiley & Sons Ltd.

Driving spin transition at interface: Role of adsorption configurations

NASA Astrophysics Data System (ADS)

Zhang, Yachao

2018-01-01

A clear insight into the electrical manipulation of molecular spins at interface is crucial to the design of molecule-based spintronic devices. Here we report on the electrically driven spin transition in manganocene physisorbed on a metallic surface in two different adsorption configurations predicted by ab initio techniques, including a Hubbard-U correction at the manganese site and accounting for the long-range van der Waals interactions. We show that the application of an electric field at the interface induces a high-spin to low-spin transition in the flat-lying manganocene, while it could hardly alter the high-spin ground state of the standing-up molecule. This phenomenon cannot be explained by either the molecule-metal charge transfer or the local electron correlation effects. We demonstrate a linear dependence of the intra-molecular spin-state splitting on the energy difference between crystal-field splitting and on-site Coulomb repulsion. After considering the molecule-surface binding energy shifts upon spin transition, we reproduce the obtained spin-state energetics. We find that the configuration-dependent responses of the spin-transition originate from the binding energy shifts instead of the variation of the local ligand field. Through these analyses, we obtain an intuitive understanding of the effects of molecule-surface contact on spin-crossover under electrical bias.

[Transitional tumours of urinary bladder (author's transl)].

PubMed

Laumonier, R

1979-01-01

An overall survey of the transitional epithelium of the bladder and its carcinomas. This study is based upon the recent literature, in particular the considerable contribution of scanner electron microscopy. a) The transitional epithelium has the reputation of having a simple structure and even behaviour. In fact, it is complex with highly specialised surface cells. It has marked powers of regeneration after aggressions of various types. b) Tumours of the transitional epithelium are defined in relation to rupture of the basal lamina. Invasive carcinomas are classified according to their histological stage of penetration, their pure or partially metaplasic type and their degree defined according to the criteria of Broders. There exists a correlation between these three types of evaluation. Non-invasive carcinomas are either papillary--putting into question the reality of benign bladder papilloma--or flat mucosal and then often associated closely or at a distance with an invasive carcinoma. c) Abnormal regeneration, dysplasia or hyperplasia as a result of aggressions of different types or developing in isolation represent a high risk histologically, implying the need for careful follow-up and surveillance. d) Histopathological study of urothelial or transitional tumours is simple in operative specimens but difficult in biopsies. It requires close cooperation between surgeons and pathologists to ensure correct orientation of the fragments.

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.

Seating type and cognitive performance after 3 hours travel by high-speed boat in sea states 2-3.

PubMed

McMorris, Terry; Myers, Stephen; Dobbins, Trevor; Hall, Ben; Dyson, Rosemary

2009-01-01

Transit in high-speed marine craft subjects occupants to a rough ride as the boat impacts the waves. This induces high levels of physical stress, which may inhibit cognitive performance during military operations and life-saving activities. Land-based research suggests that suspension seats reduce vibration and, therefore, stress. We hypothesized that subjects using suspension seats would demonstrate better cognitive performance, lower perceptions of exertion, fatigue, and sleepiness, and lower salivary concentrations of cortisol than those using fixed seats. Subjects, naval personnel, were divided into fixed (N = 6) and suspension seat (N = 6) groups. Subjects undertook forward and backward number recall and random number generation tests pre- and post-transit (3 h in sea states 2-3). Salivary cortisol concentrations were sampled pre- (1100 h) and post-transit (1700 h) and at the same times on a control day. Post-transit perceptions of exertion, fatigue, and sleepiness were measured subjectively. The suspension seat group demonstrated better performance post-transit than the fixed seat group for forward number recall and showed a significant pre- to post-transit improvement in backward number recall. The suspension seat group reported less fatigue and sleepiness. The suspension seat group had significantly higher salivary cortisol concentrations than the fixed seat group post-transit. Regression analyses found a quadratic correlation between delta cortisol concentrations and delta random number generation scores (R2 = 0.68). Results show that the use of suspension seats during transit in high-speed marine craft may be advantageous with regard to cognitive performance.

Orbiter windward surface entry Heating: Post-orbital flight test program update

NASA Technical Reports Server (NTRS)

Harthun, M. H.; Blumer, C. B.; Miller, B. A.

1983-01-01

Correlations of orbiter windward surface entry heating data from the first five flights are presented with emphasis on boundary layer transition and the effects of catalytic recombination. Results show that a single roughness boundary layer transition correlation developed for spherical element trips works well for the orbiter tile system. Also, an engineering approach for predicting heating in nonequilibrium flow conditions shows good agreement with the flight test data in the time period of significant heating. The results of these correlations, when used to predict orbiter heating for a high cross mission, indicate that the thermal protection system on the windward surface will perform successfully in such a mission.

Quantification of pizza baking properties of different cheeses, and their correlation with cheese functionality.

PubMed

Ma, Xixiu; Balaban, Murat O; Zhang, Lu; Emanuelsson-Patterson, Emma A C; James, Bryony

2014-08-01

The aim of this study is to quantify the pizza baking properties and performance of different cheeses, including the browning and blistering, and to investigate the correlation to cheese properties (rheology, free oil, transition temperature, and water activity). The color, and color uniformity, of different cheeses (Mozzarella, Cheddar, Colby, Edam, Emmental, Gruyere, and Provolone) were quantified, using a machine vision system and image analysis techniques. The correlations between cheese appearance and attributes were also evaluated, to find that cheese properties including elasticity, free oil, and transition temperature influence the color uniformity of cheeses. © 2014 Institute of Food Technologists®

Esophageal transit time in patients with chagasic megaesophagus

PubMed Central

Martins, Paula; Ferreira, Cid Sergio; Cunha-Melo, José Renan

2018-01-01

Abstract The aim of this study was to determine the esophageal transit time in control individuals and in chagasic patients with or without megaesophagus. A total of 148 patients were allocated in 6 groups according to serological diagnostic of Chagas disease and the degree of esophageal dilatation: A, control healthy individuals (n = 34, 22.9%); B, indeterminate form (n = 23, 15.5%); C, megaesophagus I (n = 37, 25.0%); D, megaesophagus II (n = 19, 12.8%); E, megaesophagus III (n = 21, 14.2%); and F, megaesophagus IV (n = 14, 9.5%). After 8-hour fasting, patients were asked to swallow 75 mL of barium sulfate solution. x-Rays were obtained after 8, 30, 60, and 90 seconds, 5, 10, 30, 60, and 90 minutes, 2, 6, 12, 24 hours, and at every 12 hours until no more contrast was seen in the esophagus. This was the transit time. The transit time varied from 8 seconds to 36 hours (median = 90 seconds). A linear correlation was observed between transit time and megaesophagus grade: 8 seconds in groups A and B, 5 minutes in C, 30 minutes in D, 2 hours in E, and 9:15 hours in F. Dysphagia was not reported by 60 of 114 (52.6%) patients with positive serological tests for Chagas disease (37/91—40.7%—of patients with megaesophagus I–IV grades). The esophageal transit time increased with the grade of megaesophagus. The esophageal transit time has a direct correlation with the grade of megaesophagus; dysphagia complaint correlates with the grade of megaesophagus. However, many patients with megaesophagus do not report dysphagia. PMID:29517674

Opinion formation in a social network: The role of human activity

NASA Astrophysics Data System (ADS)

Grabowski, Andrzej

2009-03-01

The model of opinion formation in human population based on social impact theory is investigated numerically. On the basis of a database received from the on-line game server, we examine the structure of social network and human dynamics. We calculate the activity of individuals, i.e. the relative time devoted daily to interactions with others in the artificial society. We study the influence of correlation between the activity of an individual and its connectivity on the process of opinion formation. We find that such correlations have a significant influence on the temperature of the phase transition and the effect of the mass media, modeled as an external stimulation acting on the social network.

Preserved entropy and fragile magnetism

DOE PAGES

Canfield, Paul C.; Bud’ko, Sergey L.

2016-07-05

Here, a large swath of quantum critical and strongly correlated electron systems can be associated with the phenomena of preserved entropy and fragile magnetism. In this overview we present our thoughts and plans for the discovery and development of lanthanide and transition metal based, strongly correlated systems that are revealed by suppressed, fragile magnetism, quantum criticality, or grow out of preserved entropy. We will present and discuss current examples such as YbBiPt, YbAgGe, YbFe 2Zn 20, PrAg 2In, BaFe 2As 2, CaFe 2As 2, LaCrSb 3 and LaCrGe 3 as part of our motivation and to provide illustrative examples.

[2D correlation spectral study of a coordination polymer [Eu(PCPOA)3 (H2O)]n].

PubMed

Sun, Rui-qing; Zhang, Han-hui; Cao, Yan-ning; Chen, Yi-ping; Yang, Qi-yu; Wang, Zhi-yang

2007-05-01

A novel two dimensional coordination polymer [Eu(PCPOA)3 (H2O)], was synthesized under hydrothermal condition. Based on the determination of the structure, the 2D correlation FTIR spectra with the perturbation of magnetism and the 2D correlation fluorescence spectra with the perturbation of temperature were investigated. The energy bonds were calculated using CASTEP Program of Material studio. The Europium ions are nine-coordinated and the ligands adopted two different modes to connect the Eu3+ ions to 2D layer structure. The study of the 2D-FTIR reveals that the carboxylates coordinate with the center ions not only as monodentate, but also as bidentate chelate. The 2D fluorescence spectra indicates that the transition of (5)D0-->(7)F2 is influenced intensively by the perturbation of temperature.

Ferromagnetic Potts models with multisite interaction

NASA Astrophysics Data System (ADS)

Schreiber, Nir; Cohen, Reuven; Haber, Simi

2018-03-01

We study the q -state Potts model with four-site interaction on a square lattice. Based on the asymptotic behavior of lattice animals, it is argued that when q ≤4 the system exhibits a second-order phase transition and when q >4 the transition is first order. The q =4 model is borderline. We find 1 /lnq to be an upper bound on Tc, the exact critical temperature. Using a low-temperature expansion, we show that 1 /(θ lnq ) , where θ >1 is a q -dependent geometrical term, is an improved upper bound on Tc. In fact, our findings support Tc=1 /(θ lnq ) . This expression is used to estimate the finite correlation length in first-order transition systems. These results can be extended to other lattices. Our theoretical predictions are confirmed numerically by an extensive study of the four-site interaction model using the Wang-Landau entropic sampling method for q =3 ,4 ,5 . In particular, the q =4 model shows an ambiguous finite-size pseudocritical behavior.

The nature of photoinduced phase transition and metastable states in vanadium dioxide

DOE PAGES

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; ...

2016-12-16

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO 2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M 2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picosecondsmore » at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.« less

The nature of photoinduced phase transition and metastable states in vanadium dioxide

PubMed Central

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

2016-01-01

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium. PMID:27982066

Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism

PubMed Central

Seifitokaldani, Ali; Gheribi, Aïmen E.; Phan, Anh Thu; Chartrand, Patrice; Dollé, Mickaël

2016-01-01

A new thermodynamically self-consistent (TSC) method, based on the quasi-harmonic approximation (QHA), is used to obtain the Debye temperatures of LiFePO4 (LFP) and FePO4 (FP) from available experimental specific heat capacities for a wide temperature range. The calculated Debye temperatures show an interesting critical and peculiar behavior so that a steep increase in the Debye temperatures is observed by increasing the temperature. This critical behavior is fitted by the critical function and the adjusted critical temperatures are very close to the magnetic phase transition temperatures in LFP and FP. Hence, the critical behavior of the Debye temperatures is correlated with the magnetic phase transitions in these compounds. Our first-principle calculations support our conjecture that the change in electronic structures, i.e. electron density of state and electron localization function, and consequently the change in thermophysical properties due to the magnetic transition may be the reason for the observation of this peculiar behavior of the Debye temperatures. PMID:27604551

Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism

NASA Astrophysics Data System (ADS)

Seifitokaldani, Ali; Gheribi, Aïmen E.; Phan, Anh Thu; Chartrand, Patrice; Dollé, Mickaël

2016-09-01

A new thermodynamically self-consistent (TSC) method, based on the quasi-harmonic approximation (QHA), is used to obtain the Debye temperatures of LiFePO4 (LFP) and FePO4 (FP) from available experimental specific heat capacities for a wide temperature range. The calculated Debye temperatures show an interesting critical and peculiar behavior so that a steep increase in the Debye temperatures is observed by increasing the temperature. This critical behavior is fitted by the critical function and the adjusted critical temperatures are very close to the magnetic phase transition temperatures in LFP and FP. Hence, the critical behavior of the Debye temperatures is correlated with the magnetic phase transitions in these compounds. Our first-principle calculations support our conjecture that the change in electronic structures, i.e. electron density of state and electron localization function, and consequently the change in thermophysical properties due to the magnetic transition may be the reason for the observation of this peculiar behavior of the Debye temperatures.

Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism.

PubMed

Seifitokaldani, Ali; Gheribi, Aïmen E; Phan, Anh Thu; Chartrand, Patrice; Dollé, Mickaël

2016-09-08

A new thermodynamically self-consistent (TSC) method, based on the quasi-harmonic approximation (QHA), is used to obtain the Debye temperatures of LiFePO4 (LFP) and FePO4 (FP) from available experimental specific heat capacities for a wide temperature range. The calculated Debye temperatures show an interesting critical and peculiar behavior so that a steep increase in the Debye temperatures is observed by increasing the temperature. This critical behavior is fitted by the critical function and the adjusted critical temperatures are very close to the magnetic phase transition temperatures in LFP and FP. Hence, the critical behavior of the Debye temperatures is correlated with the magnetic phase transitions in these compounds. Our first-principle calculations support our conjecture that the change in electronic structures, i.e. electron density of state and electron localization function, and consequently the change in thermophysical properties due to the magnetic transition may be the reason for the observation of this peculiar behavior of the Debye temperatures.

The nature of photoinduced phase transition and metastable states in vanadium dioxide

NASA Astrophysics Data System (ADS)

Tao, Zhensheng; Zhou, Faran; Han, Tzong-Ru T.; Torres, David; Wang, Tongyu; Sepulveda, Nelson; Chang, Kiseok; Young, Margaret; Lunt, Richard R.; Ruan, Chong-Yu

2016-12-01

Photoinduced threshold switching processes that lead to bistability and the formation of metastable phases in photoinduced phase transition of VO2 are elucidated through ultrafast electron diffraction and diffusive scattering techniques with varying excitation wavelengths. We uncover two distinct regimes of the dynamical phase change: a nearly instantaneous crossover into an intermediate state and its decay led by lattice instabilities over 10 ps timescales. The structure of this intermediate state is identified to be monoclinic, but more akin to M2 rather than M1 based on structure refinements. The extinction of all major monoclinic features within just a few picoseconds at the above-threshold-level (~20%) photoexcitations and the distinct dynamics in diffusive scattering that represents medium-range atomic fluctuations at two photon wavelengths strongly suggest a density-driven and nonthermal pathway for the initial process of the photoinduced phase transition. These results highlight the critical roles of electron correlations and lattice instabilities in driving and controlling phase transformations far from equilibrium.

Effects of stiffness and volume on the transit time of an erythrocyte through a slit.

PubMed

Salehyar, Sara; Zhu, Qiang

2017-06-01

By using a fully coupled fluid-cell interaction model, we numerically simulate the dynamic process of a red blood cell passing through a slit driven by an incoming flow. The model is achieved by combining a multiscale model of the composite cell membrane with a boundary element fluid dynamics model based on the Stokes flow assumption. Our concentration is on the correlation between the transit time (the time it takes to finish the whole translocation process) and different conditions (flow speed, cell orientation, cell stiffness, cell volume, etc.) that are involved. According to the numerical prediction (with some exceptions), the transit time rises as the cell is stiffened. It is also highly sensitive to volume increase inside the cell. In general, even slightly swollen cells (i.e., the internal volume is increased while the surface area of the cell kept unchanged) travel dramatically slower through the slit. For these cells, there is also an increased chance of blockage.

Colloquium : Emergent properties in plane view: Strong correlations at oxide interfaces

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

Chakhalian, Jak; Freeland, John W.; Millis, Andrew J.

2014-10-01

Finding new collective electronic states in materials is one of the fundamental goals of condensed matter physics. Atomic-scale superlattices formed from transition metal oxides are a particularly appealing hunting ground for new physics. In bulk form, transition metal oxides exhibit a remarkable range of magnetic, superconducting, and multiferroic phases that are of great scientific interest and are potentially capable of providing innovative energy, security, electronics, and medical technology platforms. In superlattices new states may emerge at the interfaces where dissimilar materials meet. This Colloquium illustrates the essential features that make transition metal oxide-based heterostructures an appealing discovery platform for emergentmore » properties with a few selected examples, showing how charge redistributes, magnetism and orbital polarization arises, and ferroelectric order emerges from heterostructures comprised of oxide components with nominally contradictory behavior with the aim providing insight into the creation and control of novel behavior at oxide interfaces by suitable mechanical, electrical, or optical boundary conditions and excitations.« less

WASP-12b: Orbital Decay or Apsidal Precession?

NASA Astrophysics Data System (ADS)

Winn, Joshua; Knutson, Heather

2018-05-01

Over the last decade, the interval between the transits of the hot Jupiter WASP-12b has been steadily shrinking by 29 milliseconds per year. This may represent the first direct detection of tidal orbital decay, a phenomenon that has long been predicted to occur for hot Jupiters and that features in many theories to explain their properties. Another viable explanation for the apparent period decrease is that the orbit is slightly eccentric and apsidally precessing, in which case the data could be used to measure the planet's Love number. This would be a rare and precious constraint on its interior density distribution. The best way to tell the difference is to combine new Spitzer observations of secondary eclipses with ongoing ground-based transit observations. Orbital decay predicts that the transit and eclipse timing residuals will have the same sign, while apsidal precession would produce anti-correlated residuals. We propose to observe 4 eclipses with Spitzer during Cycle 14, which will allow the two hypotheses to be distinguished with high confidence.

Spherical disharmonics in the Earth sciences and the spatial solution: Ridges, hotspots, slabs, geochemistry and tomography correlations

NASA Technical Reports Server (NTRS)

Ray, Terrill W.; Anderson, Don L.

1994-01-01

There is increasing use of statistical correlations between geophysical fields and between geochemical and geophysical fields in attempts to understand how the Earth works. Typically, such correlations have been based on spherical harmonic expansions. The expression of functions on the sphere as spherical harmonic series has many pitfalls, especially if the data are nonuniformly and/or sparsely sampled. Many of the difficulties involved in the use of spherical harmonic expansion techniques can be avoided through the use of spatial domain correlations, but this introduces other complications, such as the choice of a sampling lattice. Additionally, many geophysical and geochemical fields fail to satisfy the assumptions of standard statistical significance tests. This is especially problematic when the data values to be correlated with a geophysical field were collected at sample locations which themselves correlate with that field. This paper examines many correlations which have been claimed in the past between geochemistry and mantle tomography and between hotspot, ridge, and slab locations and tomography using both spherical harmonic coefficient correlations and spatial domain correlations. No conclusively significant correlations are found between isotopic geochemistry and mantle tomography. The Crough and Jurdy (short) hotspot location list shows statistically significant correlation with lowermost mantle tomography for degree 2 of the spherical harmonic expansion, but there are no statistically significant correlations in the spatial case. The Vogt (long) hotspot location list does not correlate with tomography anywhere in the mantle using either technique. Both hotspot lists show a strong correlation between hotspot locations and geoid highs when spatially correlated, but no correlations are revealed by spherical harmonic techniques. Ridge locations do not show any statistically significant correlations with tomography, slab locations, or the geoid; the strongest correlation is with lowermost mantle tomography, which is probably spurious. The most striking correlations are between mantle tomography and post-Pangean subducted slabs. The integrated locations of slabs correlate strongly with fast areas near the transition zone and the core-mantle boundary and with slow regions from 1022-1248 km depth. This seems to be consistent with the 'avalanching' downwellings which have been indicated by models of the mantle which include an endothermic phase transition at the 670-km discontinuity, although this is not a unique interpretation. Taken as a whole, these results suggest that slabs and associated cold downwellings are the dominant feature of mantle convection. Hotspot locations are no better correlated with lower mantle tomography than are ridge locations.

Radionuclide Esophageal Transit Scintigraphy in Primary Hypothyroidism.

PubMed

Khan, Shoukat H; P, Madhu Vijay; Rather, Tanveer A; Laway, Bashir A

2017-01-30

Esophageal dysmotility is associated with gastrointestinal dysmotility in various systemic and neuroregulatory disorders. Hypothyroidism has been reported to be associated with impaired motor function in esophagus due to accumulation of glycosaminoglycan hyaluronic acid in its soft tissues, leading to changes in various contraction and relaxation parameters of esophagus, particularly in the lower esophageal sphincter. In this study we evaluated esophageal transit times in patients of primary hypothyroidism using the technique of radionuclide esophageal transit scintigraphy. Thirty-one patients of primary hypothyroidism and 15 euthyroid healthy controls were evaluated for esophageal transit time using 15-20 MBq of Technetium-99m sulfur colloid diluted in 10-15 mL of drinking water. Time activity curve was generated for each study and esophageal transit time was calculated as time taken for clearance of 90% radioactive bolus from the region of interest encompassing the esophagus. Esophageal transit time of more than 10 seconds was considered as prolonged. Patients of primary hypothyroidism had a significantly increased mean esophageal transit time of 19.35 ± 20.02 seconds in comparison to the mean time of 8.25 ± 1.71 seconds in healthy controls ( P < 0.05). Esophageal transit time improved and in some patients even normalized after treatment with thyroxine. A positive correlation ( r = 0.39, P < 0.05) albeit weak existed between the serum thyroid stimulating hormone and the observed esophageal transit time. A significant number of patients with primary hypothyroidism may have subclinical esophageal dysmotility with prolonged esophageal transit time which can be reversible by thyroxine treatment. Prolonged esophageal transit time in primary hypothyroidism may correlate with serum thyroid stimulating hormone levels.

Numerical assessment and comparison of pulse wave velocity methods aiming at measuring aortic stiffness.

PubMed

Obeid, Hasan; Soulat, Gilles; Mousseaux, Elie; Laurent, Stéphane; Stergiopulos, Nikos; Boutouyrie, Pierre; Segers, Patrick

2017-10-31

Pulse waveform analyses have become established components of cardiovascular research. Recently several methods have been proposed as tools to measure aortic pulse wave velocity (aPWV). The carotid-femoral pulse wave velocity (cf-PWV), the current clinical gold standard method for the noninvasive assessment of aPWV, uses the carotid-to-femoral pulse transit time difference (cf-PTT) and an estimated path length to derive cf-PWV. The heart-ankle PWV (ha-PWV), brachial-ankle PWV (ba-PWV) and finger-toe (ft-PWV) are also methods presuming to approximate aPWV based on time delays between physiological cardiovascular signals at two locations (~heart-ankle PTT, ha-PTT; ~brachial-ankle PTT, ba-PTT; ~finger-toe PTT, ft-PTT) and a path length typically derived from the subject's height. To test the validity of these methods, we used a detailed 1D arterial network model (143 arterial segments) including the foot and hand circulation. The arterial tree dimensions and properties were taken from the literature and completed with data from patient scans. We calculated PTTs with all the methods mentioned above. The calculated PTTs were compared with the aortic PTT (aPTT), which is considered as the absolute reference method in this study. The correlation between methods and aPTT was good and significant, cf-PTT (R 2   =  0.97; P  <  0.001; mean difference 5  ±  2 ms), ha-PTT (R 2   =  0.96; P  <  0.001; 150  ±  23 ms), ba-PTT (R 2   =  0.96; P  <  0.001; 70  ±  13 ms) and ft-PTT (R 2   =  0.95; P  <  0.001; 14  ±  10 ms). Consequently, good correlation was also observed for the PWV values derived with the tested methods, but absolute values differed because of the different path lengths used. In conclusion, our computer model-based analyses demonstrate that for PWV methods based on peripheral signals, pulse transit time differences closely correlate with the aortic transit time, supporting the use of these methods in clinical practice.

E2/M1 mixing ratios in transitions from the gamma vibrational bands to the ground state rotational bands of 102, 104, 106, 108Mo, 108, 110, 112Ru, and 112, 114, 116Pd

NASA Astrophysics Data System (ADS)

Eldridge, J. M.; Fenker, B.; Hamilton, J. H.; Goodin, C.; Zachary, C. J.; Wang, E.; Ramayya, A. V.; Daniel, A. V.; Ter-Akopian, G. M.; Oganessian, Yu. Ts.; Luo, Y. X.; Rasmussen, J. O.; Zhu, S. J.

2018-02-01

E2/ M1 mixing ratios have been measured for transitions from states in the γ vibrational bands ( I+_{γ}) to states in the ground state bands (I+ or [I-1]+) of the neutron rich, even-even, deformed isotopes, 102, 104, 106, 108Mo, 108, 110, 112Ru, and 112, 114, 116Pd, including from states as high as 9+_{γ}. These measurements were done using the GAMMASPHERE detector array, which, at the time of the experiment, had 101 working HPGe detectors, arranged at 64 different angles. A 62 μCi source of 252Cf was placed inside GAMMASPHERE yielding 5.7× 10^{11} γ-γ-γ and higher coincidence events. The angular correlations between the transitions from the γ-bands to the ground bands, and the pure E2 transitions within the ground band were then measured. These angular correlations yielded the mixing ratios, demonstrating that these transitions are pure or nearly pure E2, in agreement with theory. In order to correct for possible attenuation due to the lifetime of the intermediate state in these correlations, the g-factors of the intermediate states needed to be known. Therefore, the g-factors of the 2+ states in the ground state band have been measured.

Spatial correlations, clustering and percolation-like transitions in homicide crimes

NASA Astrophysics Data System (ADS)

Alves, L. G. A.; Lenzi, E. K.; Mendes, R. S.; Ribeiro, H. V.

2015-07-01

The spatial dynamics of criminal activities has been recently studied through statistical physics methods; however, models and results have been focusing on local scales (city level) and much less is known about these patterns at larger scales, e.g. at a country level. Here we report on a characterization of the spatial dynamics of the homicide crimes along the Brazilian territory using data from all cities (˜5000) in a period of more than thirty years. Our results show that the spatial correlation function in the per capita homicides decays exponentially with the distance between cities and that the characteristic correlation length displays an acute increasing trend in the latest years. We also investigate the formation of spatial clusters of cities via a percolation-like analysis, where clustering of cities and a phase-transition-like behavior describing the size of the largest cluster as a function of a homicide threshold are observed. This transition-like behavior presents evolutive features characterized by an increasing in the homicide threshold (where the transitions occur) and by a decreasing in the transition magnitudes (length of the jumps in the cluster size). We believe that our work sheds new light on the spatial patterns of criminal activities at large scales, which may contribute for better political decisions and resources allocation as well as opens new possibilities for modeling criminal activities by setting up fundamental empirical patterns at large scales.

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

Scott, D.A.; Lula, J.W.

A simplified receiving inspection test for epoxy/glass prepreg was developed. This test, which could replace the resin flow test, uses differential scanning calorimetry to measure the glass transition temperature. The glass transition temperature was found to correlate well with the resin flow test.

Sudden transition and sudden change from open spin environments

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

Hu, Zheng-Da; School of Science, Jiangnan University, Wuxi 214122; Xu, Jing-Bo, E-mail: xujb@zju.edu.cn

2014-11-15

We investigate the necessary conditions for the existence of sudden transition or sudden change phenomenon for appropriate initial states under dephasing. As illustrative examples, we study the behaviors of quantum correlation dynamics of two noninteracting qubits in independent and common open spin environments, respectively. For the independent environments case, we find that the quantum correlation dynamics is closely related to the Loschmidt echo and the dynamics exhibits a sudden transition from classical to quantum correlation decay. It is also shown that the sudden change phenomenon may occur for the common environment case and stationary quantum discord is found at themore » high temperature region of the environment. Finally, we investigate the quantum criticality of the open spin environment by exploring the probability distribution of the Loschmidt echo and the scaling transformation behavior of quantum discord, respectively. - Highlights: • Sudden transition or sudden change from open spin baths are studied. • Quantum discord is related to the Loschmidt echo in independent open spin baths. • Steady quantum discord is found in a common open spin bath. • The probability distribution of the Loschmidt echo is analyzed. • The scaling transformation behavior of quantum discord is displayed.« less

Terrestrial reproduction as an adaptation to steep terrain in African toads

PubMed Central

Müller, Hendrik; Hafner, Julian; Penner, Johannes; Mazuch, Tomáš; Rödel, Mark-Oliver; Loader, Simon P.

2017-01-01

How evolutionary novelties evolve is a major question in evolutionary biology. It is widely accepted that changes in environmental conditions shift the position of selective optima, and advancements in phylogenetic comparative approaches allow the rigorous testing of such correlated transitions. A longstanding question in vertebrate biology has been the evolution of terrestrial life histories in amphibians and here, by investigating African bufonids, we test whether terrestrial modes of reproduction have evolved as adaptations to particular abiotic habitat parameters. We reconstruct and date the most complete species-level molecular phylogeny and estimate ancestral states for reproductive modes. By correlating continuous habitat measurements from remote sensing data and locality records with life-history transitions, we discover that terrestrial modes of reproduction, including viviparity evolved multiple times in this group, most often directly from fully aquatic modes. Terrestrial modes of reproduction are strongly correlated with steep terrain and low availability of accumulated water sources. Evolutionary transitions to terrestrial modes of reproduction occurred synchronously with or after transitions in habitat, and we, therefore, interpret terrestrial breeding as an adaptation to these abiotic conditions, rather than an exaptation that facilitated the colonization of montane habitats. PMID:28356450

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.

Terrestrial reproduction as an adaptation to steep terrain in African toads.

PubMed

Liedtke, H Christoph; Müller, Hendrik; Hafner, Julian; Penner, Johannes; Gower, David J; Mazuch, Tomáš; Rödel, Mark-Oliver; Loader, Simon P

2017-03-29

How evolutionary novelties evolve is a major question in evolutionary biology. It is widely accepted that changes in environmental conditions shift the position of selective optima, and advancements in phylogenetic comparative approaches allow the rigorous testing of such correlated transitions. A longstanding question in vertebrate biology has been the evolution of terrestrial life histories in amphibians and here, by investigating African bufonids, we test whether terrestrial modes of reproduction have evolved as adaptations to particular abiotic habitat parameters. We reconstruct and date the most complete species-level molecular phylogeny and estimate ancestral states for reproductive modes. By correlating continuous habitat measurements from remote sensing data and locality records with life-history transitions, we discover that terrestrial modes of reproduction, including viviparity evolved multiple times in this group, most often directly from fully aquatic modes. Terrestrial modes of reproduction are strongly correlated with steep terrain and low availability of accumulated water sources. Evolutionary transitions to terrestrial modes of reproduction occurred synchronously with or after transitions in habitat, and we, therefore, interpret terrestrial breeding as an adaptation to these abiotic conditions, rather than an exaptation that facilitated the colonization of montane habitats. © 2017 The Author(s).

Metal-insulator transitions

NASA Astrophysics Data System (ADS)

Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori

1998-10-01

Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of orders of magnitude, and are widely observed in condensed-matter systems. This article presents the observations and current understanding of the metal-insulator transition with a pedagogical introduction to the subject. Especially important are the transitions driven by correlation effects associated with the electron-electron interaction. The insulating phase caused by the correlation effects is categorized as the Mott Insulator. Near the transition point the metallic state shows fluctuations and orderings in the spin, charge, and orbital degrees of freedom. The properties of these metals are frequently quite different from those of ordinary metals, as measured by transport, optical, and magnetic probes. The review first describes theoretical approaches to the unusual metallic states and to the metal-insulator transition. The Fermi-liquid theory treats the correlations that can be adiabatically connected with the noninteracting picture. Strong-coupling models that do not require Fermi-liquid behavior have also been developed. Much work has also been done on the scaling theory of the transition. A central issue for this review is the evaluation of these approaches in simple theoretical systems such as the Hubbard model and t-J models. Another key issue is strong competition among various orderings as in the interplay of spin and orbital fluctuations. Experimentally, the unusual properties of the metallic state near the insulating transition have been most extensively studied in d-electron systems. In particular, there is revived interest in transition-metal oxides, motivated by the epoch-making findings of high-temperature superconductivity in cuprates and colossal magnetoresistance in manganites. The article reviews the rich phenomena of anomalous metallicity, taking as examples Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Ru compounds. The diverse phenomena include strong spin and orbital fluctuations, mass renormalization effects, incoherence of charge dynamics, and phase transitions under control of key parameters such as band filling, bandwidth, and dimensionality. These parameters are experimentally varied by doping, pressure, chemical composition, and magnetic fields. Much of the observed behavior can be described by the current theory. Open questions and future problems are also extracted from comparison between experimental results and theoretical achievements.

Factors Associated with Suicidal Thought and Help-Seeking Behaviour in Transition-Aged Youth versus Adults.

PubMed

MacKinnon, Nathalie; Colman, Ian

2016-12-01

Suicide is a leading cause of death for transition-aged youth (TAY), and yet few studies examine correlates of suicidal ideation specifically in this age demographic (age 18-24 years). The transition to adulthood is a unique context, marked by novel stressors (e.g., joining the workforce) and increased independence, which may influence risk factors for suicidal ideation. This study examined correlates of suicidal ideation in TAY and adults and contrasted profiles across age. We used 4 biannual cycles (2005, 2007, 2009, 2011) of the Canadian Community Health Survey, a population-based cross-sectional survey on health. We used logistic regression to assess the association between suicidal ideation and depression, distress, alcohol use, smoking, exercise, sedentary behaviour, chronic illness, restrictions to daily living, perceived physical and mental health, and perceived social support independently in both TAY ( n = 4427) and adults ( n = 14,452). We subsequently assessed possible interactions with age (18-24 v. 25-44 years) and sex and differences in help-seeking behaviour in a combined model. TAY exhibited higher rates of suicidal ideation than adults did ( P < 0.001). Numerous factors were associated with suicidal ideation in TAY. Notably, alcohol abstinence was associated with decreased suicidal ideation in TAY but not for adults. Moreover, when depressed, TAY were significantly less likely to have received professional mental health help than adults (odds ratio = 0.64, 95% CI, 0.43 to 0.94). Suicidal ideation is more prevalent in TAY than adults, and its consequences may be aggravated by poor treatment-seeking behaviour in at-risk (i.e. depressed) individuals. These different risk profiles substantiate the recent shift toward clinical interventions focusing on transition-aged youth, rather than traditional child (<18 years) and adult (>18 years) services.

Precision half-life measurement of 17F

NASA Astrophysics Data System (ADS)

Brodeur, M.; Nicoloff, C.; Ahn, T.; Allen, J.; Bardayan, D. W.; Becchetti, F. D.; Gupta, Y. K.; Hall, M. R.; Hall, O.; Hu, J.; Kelly, J. M.; Kolata, J. J.; Long, J.; O'Malley, P.; Schultz, B. E.

2016-02-01

Background: The precise determination of f t values for superallowed mixed transitions between mirror nuclide are gaining attention as they could provide an avenue to test the theoretical corrections used to extract the Vu d matrix element from superallowed pure Fermi transitions. The 17F decay is particularly interesting as it proceeds completely to the ground state of 17O, removing the need for branching ratio measurements. The dominant uncertainty on the f t value of the 17F mirror transition stems from a number of conflicting half-life measurements. Purpose: A precision half-life measurement of 17F was performed and compared to previous results. Methods: The life-time was determined from the β counting of implanted 17F on a Ta foil that was removed from the beam for counting. The 17F beam was produced by transfers reaction and separated by the TwinSol facility of the Nuclear Science Laboratory of the University of Notre Dame. Results: The measured value of t1/2 new=64.402 (42) s is in agreement with several past measurements and represents one of the most precise measurements to date. In anticipation of future measurements of the correlation parameters for the decay and using the new world average t1/2 world=64.398 (61) s, we present a new estimate of the mixing ratio ρ for the mixed transition as well as the correlation parameters based on assuming Standard Model validity. Conclusions: The relative uncertainty on the new world average for the half-life is dominated by the large χ2=31 of the existing measurements. More precision measurements with different systematics are needed to remedy to the situation.

Exploration of quantum phases transition in the XXZ model with Dzyaloshinskii-Moriya interaction using trance distance discord

NASA Astrophysics Data System (ADS)

Zhang, Ren-jie; Xu, Shuai; Shi, Jia-dong; Ma, Wen-chao; Ye, Liu

2015-11-01

In the paper, we researched the quantum phase transition (QPT) in the anisotropic spin XXZ model by exploiting the quantum renormalization group (QRG) method. The innovation point is that we adopt a new approach called trace distance discord to indicate the quantum correlation of the system. QPT after several iterations of renormalization in current system has been observed. Consequently, it opened the possibility of investigation of QPR in the geometric discord territory. While the anisotropy suppresses the correlation due to favoring of the alignment of spins, the DM interaction restores the spoiled correlation via creation of the quantum fluctuations. We also apply quantum renormalization group method to probe the thermodynamic limit of the model and emerging of nonanalytic behavior of the correlation.

A generalized estimating equations approach for resting-state functional MRI group analysis.

PubMed

D'Angelo, Gina M; Lazar, Nicole A; Eddy, William F; Morris, John C; Sheline, Yvette I

2011-01-01

An Alzheimer's fMRI study has motivated us to evaluate inter-regional correlations between groups. The overall objective is to assess inter-regional correlations at a resting-state with no stimulus or task. We propose using a generalized estimating equation (GEE) transition model and a GEE marginal model to model the within-subject correlation for each region. Residuals calculated from the GEE models are used to correlate brain regions and assess between group differences. The standard pooling approach of group averages of the Fisher-z transformation assuming temporal independence is a typical approach used to compare group correlations. The GEE approaches and standard Fisher-z pooling approach are demonstrated with an Alzheimer's disease (AD) connectivity study in a population of AD subjects and healthy control subjects. We also compare these methods using simulation studies and show that the transition model may have better statistical properties.

Irradiation embrittlement characterization of the EUROFER 97 material

NASA Astrophysics Data System (ADS)

Kytka, M.; Brumovsky, M.; Falcnik, M.

2011-02-01

The paper summarizes original results of irradiation embrittlement study of EUROFER 97 material that has been proposed as one candidate of structural materials for future fusion energy systems and GEN IV. Test specimens were manufactured from base metal as well as from weld metal and tested in initial unirradiated condition and also after neutron irradiation. Irradiation embrittlement was characterized by testing of toughness properties at transition temperature region - static fracture toughness and dynamic fracture toughness properties, all in sub-size three-point bend specimens (27 × 4 × 3 mm 3). Testing and evaluation was performed in accordance with ASTM and ESIS standards, fracture toughness KJC and KJd data were also evaluated with the "Master curve" approach. Moreover, J- R dependencies were determined and analyzed. The paper compares unirradiated and irradiated properties as well as changes in transition temperature shifts of these material parameters. Discussion about the correlation between static and dynamic properties is also given. Results from irradiation of EUROFER 97 show that this steel - base metal as well as weld metal - is suitable as a structural material for reactor pressure vessels of innovative nuclear systems - fusion energy systems and GEN IV. Transition temperature shifts after neutron irradiation by 2.5 dpa dose show a good agreement in the case of EUROFER 97 base material for both static and dynamic fracture toughness tests. From the results it can be concluded that there is a low sensitivity of weld metal to neutron irradiation embrittlement in comparison with EUROFER 97 base metal.

The Kibble-Zurek mechanism in phase transitions of non-equilibrium systems

NASA Astrophysics Data System (ADS)

Cheung, Hil F. H.; Patil, Yogesh S.; Date, Aditya G.; Vengalattore, Mukund

2017-04-01

We experimentally realize a driven-dissipative phase transition using a mechanical parametric amplifier to demonstrate key signatures of a second order phase transition, including a point where the susceptibilities and relaxation time scales diverge, and where the system exhibits a spontaneous breaking of symmetry. Though reminiscent of conventional equilibrium phase transitions, it is unclear if such driven-dissipative phase transitions are amenable to the conventional Landau-Ginsburg-Wilson paradigm, which relies on concepts of scale invariance and universality, and recent work has shown that such phase transitions can indeed lie beyond such conventional universality classes. By quenching the system past the critical point, we investigate the dynamics of the emergent ordered phase and find that our measurements are in excellent agreement with the Kibble-Zurek mechanism. In addition to verifying the Kibble-Zurek hypothesis in driven-dissipative phase transitions for the first time, we also demonstrate that the measured critical exponents accurately reflect the interplay between intrinsic coherent dynamics and environmental correlations, showing a clear departure from mean field exponents in the case of non-Markovian system-bath interactions. We further discuss how reservoir engineering and the imposition of artificial environmental correlations can result in the stabilization of novel many-body quantum phases and aid in the creation of exotic non-equilibrium states of matter.

Assessing Variations in Areal Organization for the Intrinsic Brain: From Fingerprints to Reliability

PubMed Central

Xu, Ting; Opitz, Alexander; Craddock, R. Cameron; Wright, Margaret J.; Zuo, Xi-Nian; Milham, Michael P.

2016-01-01

Resting state fMRI (R-fMRI) is a powerful in-vivo tool for examining the functional architecture of the human brain. Recent studies have demonstrated the ability to characterize transitions between functionally distinct cortical areas through the mapping of gradients in intrinsic functional connectivity (iFC) profiles. To date, this novel approach has primarily been applied to iFC profiles averaged across groups of individuals, or in one case, a single individual scanned multiple times. Here, we used a publically available R-fMRI dataset, in which 30 healthy participants were scanned 10 times (10 min per session), to investigate differences in full-brain transition profiles (i.e., gradient maps, edge maps) across individuals, and their reliability. 10-min R-fMRI scans were sufficient to achieve high accuracies in efforts to “fingerprint” individuals based upon full-brain transition profiles. Regarding test–retest reliability, the image-wise intraclass correlation coefficient (ICC) was moderate, and vertex-level ICC varied depending on region; larger durations of data yielded higher reliability scores universally. Initial application of gradient-based methodologies to a recently published dataset obtained from twins suggested inter-individual variation in areal profiles might have genetic and familial origins. Overall, these results illustrate the utility of gradient-based iFC approaches for studying inter-individual variation in brain function. PMID:27600846

Mechanism for subgap optical conductivity in honeycomb Kitaev materials

NASA Astrophysics Data System (ADS)

Bolens, Adrien; Katsura, Hosho; Ogata, Masao; Miyashita, Seiji

2018-04-01

Motivated by recent terahertz absorption measurements in α -RuCl3 , we develop a theory for the electromagnetic absorption of materials described by the Kitaev model on the honeycomb lattice. We derive a mechanism for the polarization operator at second order in the nearest-neighbor hopping Hamiltonian. Using the exact results of the Kitaev honeycomb model, we then calculate the polarization dynamical correlation function corresponding to electric dipole transitions in addition to the spin dynamical correlation function corresponding to magnetic dipole transitions.

Dirac points, spinons and spin liquid in twisted bilayer graphene

NASA Astrophysics Data System (ADS)

Irkhin, V. Yu.; Skryabin, Yu. N.

2018-05-01

Twisted bilayer graphene is an excellent example of highly correlated system demonstrating a nearly flat electron band, the Mott transition and probably a spin liquid state. Besides the one-electron picture, analysis of Dirac points is performed in terms of spinon Fermi surface in the limit of strong correlations. Application of gauge field theory to describe deconfined spin liquid phase is treated. Topological quantum transitions, including those from small to large Fermi surface in the presence of van Hove singularities, are discussed.

New Quasi Low-Dimensional 4d and 5d Transition Metal Oxides with Correlated Electronic Properties - Synthesis and Characterizations

DTIC Science & Technology

2016-02-17

high pressure (HP) and high temperature ( HT ) synthesis to find new interesting and potentially useful polar materials. As will be shown here, we have...of general formula A2BB’O6. In addition, HP and HT were also used to prepare new metastable double perovskites and quadruple perovskites with unusual...transition metals and exotic correlated electronic properties was used in parallel with the HP/ HT projects. As the results enumerated below show, a

Effect of point defects and disorder on structural phase transitions

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

Toulouse, J.

1997-06-01

Since the beginning in 1986, the object of this project has been Structural Phase Transitions (SPT) in real as opposed to ideal materials. The first stage of the study has been centered around the role of Point Defects in SPT`s. Our intent was to use the previous knowledge we had acquired in the study of point defects in non-transforming insulators and apply it to the study of point defects in insulators undergoing phase transitions. In non-transforming insulators, point defects, in low concentrations, marginally affect the bulk properties of the host. It is nevertheless possible by resonance or relaxation methods tomore » study the point defects themselves via their local motion. In transforming solids, however, close to a phase transition, atomic motions become correlated over very large distances; there, even point defects far removed from one another can undergo correlated motions which may strongly affect the transition behavior of the host. Near a structural transition, the elastic properties win be most strongly affected so as to either raise or decrease the transition temperature, prevent the transition from taking place altogether, or simply modify its nature and the microstructure or domain structure of the resulting phase. One of the well known practical examples is calcium-stabilized zirconia in which the high temperature cubic phase is stabilized at room temperature with greatly improved mechanical properties.« less

Measuring stellar granulation during planet transits

NASA Astrophysics Data System (ADS)

Chiavassa, A.; Caldas, A.; Selsis, F.; Leconte, J.; Von Paris, P.; Bordé, P.; Magic, Z.; Collet, R.; Asplund, M.

2017-01-01

Context. Stellar activity and convection-related surface structures might cause bias in planet detection and characterization that use these transits. Surface convection simulations help to quantify the granulation signal. Aims: We used realistic three-dimensional (3D) radiative hydrodynamical (RHD) simulations from the Stagger grid and synthetic images computed with the radiative transfer code Optim3D to model the transits of three prototype planets: a hot Jupiter, a hot Neptune, and a terrestrial planet. Methods: We computed intensity maps from RHD simulations of the Sun and a K-dwarf star at different wavelength bands from optical to far-infrared that cover the range of several ground- and space-based telescopes which observe exoplanet transits. We modeled the transit using synthetic stellar-disk images obtained with a spherical-tile imaging method and emulated the temporal variation of the granulation intensity generating random images covering a granulation time-series of 13.3 h. We measured the contribution of the stellar granulation on the light curves during the planet transit. Results: We identified two types of granulation noise that act simultaneously during the planet transit: (I) the intrinsic change in the granulation pattern with timescale (e.g., 10 min for solar-type stars assumed in this work) is smaller than the usual planet transit ( hours as in our prototype cases); and (II) the fact that the transiting planet occults isolated regions of the photosphere that differ in local surface brightness as a result of convective-related surface structures. First, we showed that our modeling approach returns granulation timescale fluctuations that are comparable with what has been observed for the Sun. Then, our statistical approach shows that the granulation pattern of solar and K-dwarf-type stars have a non-negligible effect of the light curve depth during the transit, and, consequentially on the determination of the planet transit parameters such as the planet radius (up to 0.90% and 0.47% for terrestrial and gaseous planets, respectively). We also showed that larger (or smaller) orbital inclination angles with respect to values corresponding to transit at the stellar center display a shallower transit depth and longer ingress and egress times, but also granulation fluctuations that are correlated to the center-to-limb variation: they increase (or decrease) the value of the inclination, which amplifies the fluctuations. The granulation noise appears to be correlated among the different wavelength ranges either in the visible or in the infrared regions. Conclusions: The prospects for planet detection and characterization with transiting methods are excellent with access to large amounts of data for stars. The granulation has to be considered as an intrinsic uncertainty (as a result of stellar variability) on the precise measurements of exoplanet transits of planets. The full characterization of the granulation is essential for determining the degree of uncertainty on the planet parameters. In this context, the use of 3D RHD simulations is important to measure the convection-related fluctuations. This can be achieved by performing precise and continuous observations of stellar photometry and radial velocity, as we explained with RHD simulations, before, after, and during the transit periods.

Correlates of electroencephalographic resting states and erythrocyte membrane docosahexaenoic and eicosapentaenoic acid levels in individuals at ultra-high risk of psychosis.

PubMed

Lavoie, Suzie; Whitford, Thomas J; Benninger, Franz; Feucht, Martha; Kim, Sung-Wan; Klier, Claudia M; McNamara, Robert K; Rice, Simon; Schäfer, Miriam R; Amminger, G Paul

2016-01-01

Abnormal levels of polyunsaturated fatty acids (PUFAs) have been reported in individuals suffering from schizophrenia. The main aim of the present study was to investigate the relationship between erythrocyte membrane fatty acid levels and resting-state brain activity occurring in individuals at ultra-high risk (UHR) of psychosis. The association between erythrocyte membrane fatty acids levels and resting-state brain activity and its value in predicting psychosis was examined in 72 UHR individuals. In the frontal area, the activity in the fast frequency band Beta2 was positively associated with docosahexaenoic acid (DHA) levels (R = 0.321, P = 0.017), and in the fronto-central area, Beta2 activity showed a positive correlation with eicosapentaenoic acid (EPA) levels (R = 0.305, P = 0.009), regardless of psychosis transition status. Conversely, the slow frequency band Theta was significantly negatively associated with EPA levels in the parieto-occipital region (R = -0.251, P = 0.033. Results also showed that Alpha power was negatively correlated with DHA levels in UHR individuals who did not transition to psychosis, while this correlation was not present in individuals who later transitioned. Our results suggest that individuals at UHR for psychosis who have higher basal omega-3 fatty acids levels present with resting EEG features associated with better states of alertness and vigilance. Furthermore, the improvement in the Alpha synchrony observed along with increased DHA levels in participants who did not transition to psychosis is disturbed in those who did transition. However, these interesting results are limited by the small sample size and low statistical power of the study. © The Royal Australian and New Zealand College of Psychiatrists 2015.

Simultaneous optimization of spin fluctuations and superconductivity under pressure in an iron-based superconductor.

PubMed

Ji, G F; Zhang, J S; Ma, Long; Fan, P; Wang, P S; Dai, J; Tan, G T; Song, Y; Zhang, C L; Dai, Pengcheng; Normand, B; Yu, Weiqiang

2013-09-06

We present a high-pressure NMR study of the overdoped iron pnictide superconductor NaFe0.94Co0.06As. The low-energy antiferromagnetic spin fluctuations in the normal state, manifest as the Curie-Weiss upturn in the spin-lattice relaxation rate 1/(75)T1T, first increase strongly with pressure but fall again at P>Popt=2.2  GPa. Neither long-ranged magnetic order nor a structural phase transition is encountered up to 2.5 GPa. The superconducting transition temperature Tc shows a pressure dependence identical to the spin fluctuations. Our observations demonstrate that magnetic correlations and superconductivity are optimized simultaneously as a function of the electronic structure, thereby supporting very strongly a magnetic origin of superconductivity.

Effects of stressor characteristics on early warning signs of critical transitions and "critical coupling" in complex dynamical systems.

PubMed

Blume, Steffen O P; Sansavini, Giovanni

2017-12-01

Complex dynamical systems face abrupt transitions into unstable and catastrophic regimes. These critical transitions are triggered by gradual modifications in stressors, which push the dynamical system towards unstable regimes. Bifurcation analysis can characterize such critical thresholds, beyond which systems become unstable. Moreover, the stochasticity of the external stressors causes small-scale fluctuations in the system response. In some systems, the decomposition of these signal fluctuations into precursor signals can reveal early warning signs prior to the critical transition. Here, we present a dynamical analysis of a power system subjected to an increasing load level and small-scale stochastic load perturbations. We show that the auto- and cross-correlations of bus voltage magnitudes increase, leading up to a Hopf bifurcation point, and further grow until the system collapses. This evidences a gradual transition into a state of "critical coupling," which is complementary to the established concept of "critical slowing down." Furthermore, we analyze the effects of the type of load perturbation and load characteristics on early warning signs and find that gradient changes in the autocorrelation provide early warning signs of the imminent critical transition under white-noise but not for auto-correlated load perturbations. Furthermore, the cross-correlation between all voltage magnitude pairs generally increases prior to and beyond the Hopf bifurcation point, indicating "critical coupling," but cannot provide early warning indications. Finally, we show that the established early warning indicators are oblivious to limit-induced bifurcations and, in the case of the power system model considered here, only react to an approaching Hopf bifurcation.

Lactulose Breath Test Gas Production in Childhood IBS Is Associated With Intestinal Transit and Bowel Movement Frequency.

PubMed

Chumpitazi, Bruno P; Weidler, Erica M; Shulman, Robert J

2017-04-01

In adults with irritable bowel syndrome (IBS), bacterial gas production (colonic fermentation) is related to both symptom generation and intestinal transit. Whether gas production affects symptom generation, psychosocial distress, or intestinal transit in childhood IBS is unknown. Children (ages 7-17 years) with pediatric Rome III IBS completed validated psychosocial questionnaires and a 2-week daily diary capturing pain and stooling characteristics. Stool form determined IBS subtype. Subjects then completed a 3-hour lactulose breath test for measurement of total breath hydrogen and methane production. Carmine red was used to determine whole intestinal transit time. A total of 87 children (mean age 13 ± 2.6 [standard deviation] years) were enrolled, of whom 50 (57.5%) were girls. All children produced hydrogen and 51 (58.6%) produced methane. Hydrogen and methane production did not correlate with either abdominal pain frequency/severity or psychosocial distress. Hydrogen and methane production did not differ significantly by IBS subtype. Methane production correlated positively with whole intestinal transit time (r = 0.31, P < 0.005) and inversely with bowel movement frequency (r = -0.245, P < 0.05). Methane production (threshold 3 ppm) as a marker for identifying IBS-C had a sensitivity of 60% and specificity of 42.9%. Lactulose breath test total methane production may serve as a biomarker of whole intestinal transit time and bowel movement frequency in children with IBS. In children with IBS, lactulose breath test hydrogen and methane production did not, however, correlate with abdominal pain, IBS subtype, or psychosocial distress.

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.

Transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto model

NASA Astrophysics Data System (ADS)

Kundu, Prosenjit; Khanra, Pitambar; Hens, Chittaranjan; Pal, Pinaki

2017-11-01

We investigate transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto (SK) model on complex networks both analytically and numerically. We analytically derive self-consistent equations for group angular velocity and order parameter for the model in the thermodynamic limit. Using the self-consistent equations we investigate transition to synchronization in SK model on uncorrelated scale-free (SF) and Erdős-Rényi (ER) networks in detail. Depending on the degree distribution exponent (γ ) of SF networks and phase-frustration parameter, the population undergoes from first-order transition [explosive synchronization (ES)] to second-order transition and vice versa. In ER networks transition is always second order irrespective of the values of the phase-lag parameter. We observe that the critical coupling strength for the onset of synchronization is decreased by phase-frustration parameter in case of SF network where as in ER network, the phase-frustration delays the onset of synchronization. Extensive numerical simulations using SF and ER networks are performed to validate the analytical results. An analytical expression of critical coupling strength for the onset of synchronization is also derived from the self-consistent equations considering the vanishing order parameter limit.

Global Three-Dimensional Atmospheric Structure of the Atlantic Multidecadal Oscillation as Revealed by Two Reanalyses

NASA Astrophysics Data System (ADS)

Stuckman, Scott Seele

This study is a first documentation of the structure of the entire AMO life cycle, including extreme and transition phases, throughout the global troposphere. The extreme phase climate signature is constructed based on the strongest and most robust patterns identified by two methods (linear correlation and composite analyses), two reanalysis datasets (the National Centers for Environmental Prediction/National Center for Atmospheric Research and Twentieth Century Reanalysis, supplemented with precipitation data from the University of Delaware dataset) and data from two consecutive AMO cycles. The first characterization of the AMO transition phases uses a transition index based on the time derivative of AMO index. When trying to compare the zonal mean structure of AMO with the El Niño-Southern Oscillation (ENSO), a literature search showed the zonal mean structure of ENSO remained unpublished, despite the otherwise generally well-characterized horizontal structures. Therefore this study includes a seasonal analysis of the ENSO zonal mean structure during boreal winter (DJF) and summer (JJA). The AMO extreme phase is characterized by a blend of low and middle latitude centers of action, with the associated tilt of geopotential height anomaly patterns consistent with off-equatorial heating patterns generated by the Held idealized model. The surface climate signature is connected to the upper air with baroclinic vertical structure over the North Atlantic but barotropic structures elsewhere. The associated zonal mean circulation features three circulation cells globally with strong inter-hemispheric mixing that suggests the traditional view of the AMO involving a Northern-Southern Hemisphere asymmetry is accurate only near the surface. The AMO transition phase features a more equatorial-based climate signature and associated geopotential height anomaly patterns consistent with the Matsuno-Gill idealized model. The zonal mean circulation of the transition phases features six, rather than three, circulation cells globally. The only baroclinic structure, over North America, and several barotropic structures are positioned west of corresponding similar structures during the AMO extreme phase, suggesting an eastward evolution of climate anomalies as the AMO progresses from a cool-to-warm transition phase to warm phase. The Pacific-based climate signature resembles the IPO warm phase and it is proposed the AMO and IPO are different basin-wide expressions of a single multidecadal oscillation. The identification of an AMO transition phase climate signature distinct from the extreme phase suggests transition phases are not neutral and may provide an additional source of information for characterizing climate cycles.

Dynamic search and working memory in social recall.

PubMed

Hills, Thomas T; Pachur, Thorsten

2012-01-01

What are the mechanisms underlying search in social memory (e.g., remembering the people one knows)? Do the search mechanisms involve dynamic local-to-global transitions similar to semantic search, and are these transitions governed by the general control of attention, associated with working memory span? To find out, we asked participants to recall individuals from their personal social networks and measured each participant's working memory capacity. Additionally, participants provided social-category and contact-frequency information about the recalled individuals as well as information about the social proximity among the recalled individuals. On the basis of these data, we tested various computational models of memory search regarding their ability to account for the patterns in which participants recalled from social memory. Although recall patterns showed clustering based on social categories, models assuming dynamic transitions between representations cued by social proximity and frequency information predicted participants' recall patterns best-no additional explanatory power was gained from social-category information. Moreover, individual differences in the time between transitions were positively correlated with differences in working memory capacity. These results highlight the role of social proximity in structuring social memory and elucidate the role of working memory for maintaining search criteria during search within that structure.

Body Temperature-Related Structural Transitions of Monotremal and Human Hemoglobin

PubMed Central

Digel, I.; Maggakis-Kelemen, Ch.; Zerlin, K. F.; Linder, Pt.; Kasischke, N.; Kayser, P.; Porst, D.; Temiz Artmann, A.; Artmann, G. M.

2006-01-01

In this study, temperature-related structural changes were investigated in human, duck-billed platypus (Ornithorhynchus anatinus, body temperature Tb = 31–33°C), and echidna (Tachyglossus aculeatus, body temperature Tb = 32–33°C) hemoglobin using circular dichroism spectroscopy and dynamic light scattering. The average hydrodynamic radius (Rh) and fractional (normalized) change in the ellipticity (Fobs) at 222 ± 2 nm of hemoglobin were measured. The temperature was varied stepwise from 25°C to 45°C. The existence of a structural transition of human hemoglobin at the critical temperature Tc between 36–37°C was previously shown by micropipette aspiration experiments, viscosimetry, and circular dichroism spectroscopy. Based on light-scattering measurements, this study proves the onset of molecular aggregation at Tc. In two different monotremal hemoglobins (echidna and platypus), the critical transition temperatures were found between 32–33°C, which are close to the species' body temperature Tb. The data suggest that the correlation of the structural transition's critical temperature Tc and the species' body temperature Tb is not mere coincidence but, instead, is a more widespread structural phenomenon possibly including many other proteins. PMID:16844747

Influence of phase transition on the instability of a liquid-vapor interface in a gravitational field

NASA Astrophysics Data System (ADS)

Konovalov, V. V.; Lyubimov, D. V.; Lyubimova, T. P.

2017-06-01

This study is concerned with the linear stability of the horizontal interface between thick layers of a viscous heat-conducting liquid and its vapor in a gravitational field subject to phase transition. We consider the case when the hydrostatic base state is consistent with a balanced heat flux at the liquid-vapor interface. The corrections to the growth rate of the most dangerous perturbations and cutoff wave number, characterizing the influence of phase transition on the Rayleigh-Taylor instability, are found to be different from the data in the literature. Most of the previous results were obtained in the framework of a quasiequilibrium approximation, which had been shown to conform to the limit of thin media layers under equality of the interface temperature to a saturation temperature. The main difference from the results obtained with the quasiequilibrium approach is new values of the proportionality coefficients that correlate our corrections with the intensity of weak heating. Moreover, at large values of the heat flux rate, when deviations from the approximate linear law are important, the effect of phase transition is limited and does not exceed the size of the vapor viscosity effect.

A 1,574-Day Periodicity of Transits Orbiting KIC 8462852

NASA Astrophysics Data System (ADS)

Sacco, G.; Ngo, L. D.; Modolo, J.

2018-06-01

Observations of the main sequence F3V star KIC 8462852 (also known as Boyajianís star) revealed extreme aperiodic dips in flux up to 20% during the four years of the Kepler mission. Smaller dips (< 3%) were also observed with ground-based telescopes between May 2017 and May 2018. We investigated possible correlation between recent dips and the major dips in the last 100 days of the Kepler mission. We compared Kepler light curve data, 2017 data from two observatories (TFN, OGG) which are part of the Las Cumbres Observatory (LCO) network, as well as archival data from the Harvard College Observatory (HCO), Sonneberg Observatory, and Sternberg Observatory, and determined that observations appear consistent with a 1,574-day (4.31-year) periodicity of a transit (or group of transits) orbiting Boyajianís star within the habitable zone. Comparison with future observations is required to validate this hypothesis. Furthermore, it is unknown if transits that have produced other major dips as observed during the Kepler mission (e.g. D792) share the same orbital period. Nevertheless, the proposed periodicity is a step forward in guiding future observation efforts.

Ising tricriticality in the extended Hubbard model with bond dimerization

NASA Astrophysics Data System (ADS)

Fehske, Holger; Ejima, Satoshi; Lange, Florian; Essler, Fabian H. L.

We explore the quantum phase transition between Peierls and charge-density-wave insulating states in the one-dimensional, half-filled, extended Hubbard model with explicit bond dimerization. We show that the critical line of the continuous Ising transition terminates at a tricritical point, belonging to the universality class of the tricritical Ising model with central charge c=7/10. Above this point, the quantum phase transition becomes first order. Employing a numerical matrix-product-state based (infinite) density-matrix renormalization group method we determine the ground-state phase diagram, the spin and two-particle charge excitations gaps, and the entanglement properties of the model with high precision. Performing a bosonization analysis we can derive a field description of the transition region in terms of a triple sine-Gordon model. This allows us to derive field theory predictions for the power-law (exponential) decay of the density-density (spin-spin) and bond-order-wave correlation functions, which are found to be in excellent agreement with our numerical results. This work was supported by Deutsche Forschungsgemeinschaft (Germany), SFB 652, project B5, and by the EPSRC under Grant No. EP/N01930X/1 (FHLE).

The transition to hospital consultant and the influence of preparedness, social support, and perception: A structural equation modelling approach.

PubMed

Westerman, Michiel; Teunissen, Pim W; Fokkema, Joanne P I; van der Vleuten, Cees P M; Scherpbier, Albert J J A; Siegert, Carl E H; Scheele, Fedde

2013-04-01

Insight into the transition from specialist registrar to hospital consultant is needed to better align specialty training with starting as a consultant and to facilitate this transition. This study investigates whether preparedness regarding medical and generic competencies, perceived intensity, and social support are associated with burnout among new consultants. A population-based study among all 2643 new consultants in the Netherlands (all specialties) was conducted in June 2010. A questionnaire covering preparedness for practice, intensity of the transition, social support, and burnout was used. Structural equation modelling was used for statistical analysis. Data from a third of the population were available (32% n = 840) (43% male/57% female). Preparation in generic competencies received lower ratings than in medical competencies. A total of 10% met the criteria for burnout and 18% scored high on the emotional exhaustion subscale. Perceived lack of preparation in generic competencies correlated with burnout (r = 0.15, p < 0.001). No such relation was found for medical competencies. Furthermore, social support protected against burnout. These findings illustrate the relevance of generic competencies for new hospital consultants. Furthermore, social support facilitates this intense and stressful stage within the medical career.

High Resolution X-ray Scattering Studies of Structural Phase Transitions in BaFe2-x Cr x As 2

NASA Astrophysics Data System (ADS)

Gaulin, B. D.; Clancy, J. P.; Wagman, J. J.; Sefat, A. S.

2011-03-01

While the effects of electron-doping on the parent compounds of the 122 family of Fe-based superconductors have been extremely well-studied in recent years, far less is known about the influence of hole-doping in compounds such as BaFe 2-x Cr x As 2 . In contrast to the electron-doped 122 systems, the hole-doped compounds do not become superconducting. Furthermore, while the hole-doped compounds exhibit similar structural and magnetic phase transitions, they appear to be much less sensitive to dopant concentration. We have performed high resolution x-ray scattering and magnetic susceptibility measurements on single crystal samples of BaFe 2-x Cr x As 2 for Cr concentrations ranging from 0 <= x <= 0.67 . These measurements allow us to determine the magnetic and structural phase transitions for this series and map out the low temperature phase diagram as a function of doping. In particular, we have carried out detailed measurements of the tetragonal (I4/mmm) to orthorhombic (Fmmm) structural phase transition which reveal how the orthorhombicity of the system evolves with increasing Cr concentration and how this correlates with the values of Ts and Tm .

Body temperature-related structural transitions of monotremal and human hemoglobin.

PubMed

Digel, I; Maggakis-Kelemen, Ch; Zerlin, K F; Linder, Pt; Kasischke, N; Kayser, P; Porst, D; Temiz Artmann, A; Artmann, G M

2006-10-15

In this study, temperature-related structural changes were investigated in human, duck-billed platypus (Ornithorhynchus anatinus, body temperature T(b) = 31-33 degrees C), and echidna (Tachyglossus aculeatus, body temperature T(b) = 32-33 degrees C) hemoglobin using circular dichroism spectroscopy and dynamic light scattering. The average hydrodynamic radius (R(h)) and fractional (normalized) change in the ellipticity (F(obs)) at 222 +/- 2 nm of hemoglobin were measured. The temperature was varied stepwise from 25 degrees C to 45 degrees C. The existence of a structural transition of human hemoglobin at the critical temperature T(c) between 36-37 degrees C was previously shown by micropipette aspiration experiments, viscosimetry, and circular dichroism spectroscopy. Based on light-scattering measurements, this study proves the onset of molecular aggregation at T(c). In two different monotremal hemoglobins (echidna and platypus), the critical transition temperatures were found between 32-33 degrees C, which are close to the species' body temperature T(b). The data suggest that the correlation of the structural transition's critical temperature T(c) and the species' body temperature T(b) is not mere coincidence but, instead, is a more widespread structural phenomenon possibly including many other proteins.

Huge critical current density and tailored superconducting anisotropy in SmFeAsO₀.₈F₀.₁₅ by low-density columnar-defect incorporation.

PubMed

Fang, L; Jia, Y; Mishra, V; Chaparro, C; Vlasko-Vlasov, V K; Koshelev, A E; Welp, U; Crabtree, G W; Zhu, S; Zhigadlo, N D; Katrych, S; Karpinski, J; Kwok, W K

2013-01-01

Iron-based superconductors could be useful for electricity distribution and superconducting magnet applications because of their relatively high critical current densities and upper critical fields. SmFeAsO₀.₈F₀.₁₅ is of particular interest as it has the highest transition temperature among these materials. Here we show that by introducing a low density of correlated nano-scale defects into this material by heavy-ion irradiation, we can increase its critical current density to up to 2 × 10⁷ A cm⁻² at 5 K--the highest ever reported for an iron-based superconductor--without reducing its critical temperature of 50 K. We also observe a notable reduction in the thermodynamic superconducting anisotropy, from 8 to 4 upon irradiation. We develop a model based on anisotropic electron scattering that predicts that the superconducting anisotropy can be tailored via correlated defects in semimetallic, fully gapped type II superconductors.

Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity.

PubMed

Jena, Ajit; Nanda, B R K

2016-01-21

Oxygen plays a critical role in strongly correlated transition metal oxides as crystal field effect is one of the key factors that determine the degree of localization of the valence d/f states. Based on the localization, a set of conventional mechanisms such as Mott-Hubbard, Charge-transfer and Slater were formulated to explain the antiferromagnetic and insulating (AFI) phenomena in many of these correlated systems. From the case study on LiFePO4, through density-functional calculations, we demonstrate that none of these mechanisms are strictly applicable to explain the AFI behavior when the transition metal oxides have polyanions such as (PO4)(3-). The symmetry-lowering of the metal-oxygen complex, to stabilize the polyanion, creates an asymmetric crystal field for d/f states. In LiFePO4 this field creates completely non-degenerate Fe-d states which, with negligible p-d and d-d covalent interactions, become atomically localized to ensure a gap at the Fermi level. Due to large exchange splitting, high spin state is favored and an antiferromagnetic configuration is stabilized. For the prototype LiFePO4, independent electron approximation is good enough to obtain the AFI ground state. Inclusion of additional correlation measures like Hubbard U simply amplifies the gap and therefore LiFePO4 can be preferably called as weakly coupled Mott insulator.

Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity

PubMed Central

Jena, Ajit; Nanda, B. R. K.

2016-01-01

Oxygen plays a critical role in strongly correlated transition metal oxides as crystal field effect is one of the key factors that determine the degree of localization of the valence d/f states. Based on the localization, a set of conventional mechanisms such as Mott-Hubbard, Charge-transfer and Slater were formulated to explain the antiferromagnetic and insulating (AFI) phenomena in many of these correlated systems. From the case study on LiFePO4, through density-functional calculations, we demonstrate that none of these mechanisms are strictly applicable to explain the AFI behavior when the transition metal oxides have polyanions such as (PO4)3−. The symmetry-lowering of the metal-oxygen complex, to stabilize the polyanion, creates an asymmetric crystal field for d/f states. In LiFePO4 this field creates completely non-degenerate Fe-d states which, with negligible p-d and d-d covalent interactions, become atomically localized to ensure a gap at the Fermi level. Due to large exchange splitting, high spin state is favored and an antiferromagnetic configuration is stabilized. For the prototype LiFePO4, independent electron approximation is good enough to obtain the AFI ground state. Inclusion of additional correlation measures like Hubbard U simply amplifies the gap and therefore LiFePO4 can be preferably called as weakly coupled Mott insulator. PMID:26791249

Spectroscopy of excited states of unbound nuclei 30Ar and 29Cl

NASA Astrophysics Data System (ADS)

Xu, X.-D.; Mukha, I.; Grigorenko, L. V.; Scheidenberger, C.; Acosta, L.; Casarejos, E.; Chudoba, V.; Ciemny, A. A.; Dominik, W.; Duénas-Díaz, J.; Dunin, V.; Espino, J. M.; Estradé, A.; Farinon, F.; Fomichev, A.; Geissel, H.; Golubkova, T. A.; Gorshkov, A.; Janas, Z.; Kamiński, G.; Kiselev, O.; Knöbel, R.; Krupko, S.; Kuich, M.; Litvinov, Yu. A.; Marquinez-Durán, G.; Martel, I.; Mazzocchi, C.; Nociforo, C.; Ordúz, A. K.; Pfützner, M.; Pietri, S.; Pomorski, M.; Prochazka, A.; Rymzhanova, S.; Sánchez-Benítez, A. M.; Sharov, P.; Simon, H.; Sitar, B.; Slepnev, R.; Stanoiu, M.; Strmen, P.; Szarka, I.; Takechi, M.; Tanaka, Y. K.; Weick, H.; Winkler, M.; Winfield, J. S.

2018-03-01

Several states of proton-unbound isotopes 30Ar and 29Cl were investigated by measuring their in-flight decay products, 28S + proton + proton and 28S + proton, respectively. A refined analysis of 28S-proton angular correlations indicates that the ground state of 30Ar is located at 2 .45-0.10+0.05 MeV above the two-proton emission threshold. The investigation of the decay mechanism of the 30Ar ground state demonstrates that it has the transition dynamics. In the "transitional" region, the correlation patterns of the decay products present a surprisingly strong sensitivity to the two-proton decay energy of the 30Ar ground state and the one-proton decay energy as well as the one-proton decay width of the 29Cl ground state. The comparison of the experimental 28S-proton angular correlations with those resulting from Monte Carlo simulations of the detector response illustrates that other observed 30Ar excited states decay by sequential emission of protons via intermediate resonances in 29Cl. Based on the findings, the decay schemes of the observed states in 30Ar and 29Cl were constructed. For calibration purposes and for checking the performance of the experimental setup, decays of the previously known states of a two-proton emitter 19Mg were remeasured. Evidences for one new excited state in 19Mg and two unknown states in 18Na were found.

Integrated network analysis identifies fight-club nodes as a class of hubs encompassing key putative switch genes that induce major transcriptome reprogramming during grapevine development.

PubMed

Palumbo, Maria Concetta; Zenoni, Sara; Fasoli, Marianna; Massonnet, Mélanie; Farina, Lorenzo; Castiglione, Filippo; Pezzotti, Mario; Paci, Paola

2014-12-01

We developed an approach that integrates different network-based methods to analyze the correlation network arising from large-scale gene expression data. By studying grapevine (Vitis vinifera) and tomato (Solanum lycopersicum) gene expression atlases and a grapevine berry transcriptomic data set during the transition from immature to mature growth, we identified a category named "fight-club hubs" characterized by a marked negative correlation with the expression profiles of neighboring genes in the network. A special subset named "switch genes" was identified, with the additional property of many significant negative correlations outside their own group in the network. Switch genes are involved in multiple processes and include transcription factors that may be considered master regulators of the previously reported transcriptome remodeling that marks the developmental shift from immature to mature growth. All switch genes, expressed at low levels in vegetative/green tissues, showed a significant increase in mature/woody organs, suggesting a potential regulatory role during the developmental transition. Finally, our analysis of tomato gene expression data sets showed that wild-type switch genes are downregulated in ripening-deficient mutants. The identification of known master regulators of tomato fruit maturation suggests our method is suitable for the detection of key regulators of organ development in different fleshy fruit crops. © 2014 American Society of Plant Biologists. All rights reserved.

Integrated Network Analysis Identifies Fight-Club Nodes as a Class of Hubs Encompassing Key Putative Switch Genes That Induce Major Transcriptome Reprogramming during Grapevine Development[W][OPEN

PubMed Central

Palumbo, Maria Concetta; Zenoni, Sara; Fasoli, Marianna; Massonnet, Mélanie; Farina, Lorenzo; Castiglione, Filippo; Pezzotti, Mario; Paci, Paola

2014-01-01

We developed an approach that integrates different network-based methods to analyze the correlation network arising from large-scale gene expression data. By studying grapevine (Vitis vinifera) and tomato (Solanum lycopersicum) gene expression atlases and a grapevine berry transcriptomic data set during the transition from immature to mature growth, we identified a category named “fight-club hubs” characterized by a marked negative correlation with the expression profiles of neighboring genes in the network. A special subset named “switch genes” was identified, with the additional property of many significant negative correlations outside their own group in the network. Switch genes are involved in multiple processes and include transcription factors that may be considered master regulators of the previously reported transcriptome remodeling that marks the developmental shift from immature to mature growth. All switch genes, expressed at low levels in vegetative/green tissues, showed a significant increase in mature/woody organs, suggesting a potential regulatory role during the developmental transition. Finally, our analysis of tomato gene expression data sets showed that wild-type switch genes are downregulated in ripening-deficient mutants. The identification of known master regulators of tomato fruit maturation suggests our method is suitable for the detection of key regulators of organ development in different fleshy fruit crops. PMID:25490918

Network formation in a multi-asset artificial stock market

NASA Astrophysics Data System (ADS)

Wu, Songtao; He, Jianmin; Li, Shouwei; Wang, Chao

2018-04-01

A multi-asset artificial stock market is developed. In the market, stocks are assigned to a number of sectors and traded by heterogeneous investors. The mechanism of continuous double auction is employed to clear order book and form daily closed prices. Simulation results of prices at the sector level show an intra-sector similarity and inter-sector distinctiveness, and returns of individual stocks have stylized facts that are ubiquitous in the real-world stock market. We find that the market risk factor has critical impact on both network topology transition and connection formation, and that sector risk factors account for the formation of intra-sector links and sector-based local interaction. In addition, the number of community in threshold-based networks is correlated negatively and positively with the value of correlation coefficients and the ratio of intra-sector links, which are respectively determined by intensity of sector risk factors and the number of sectors.

Atropisomerization of di-para-substituted propyl-bridged biphenyl cyclophanes.

PubMed

Rotzler, Jürgen; Gsellinger, Heiko; Bihlmeier, Angela; Gantenbein, Markus; Vonlanthen, David; Häussinger, Daniel; Klopper, Wim; Mayor, Marcel

2013-01-07

The influence of electron donors and electron acceptors of variable strength in the 4 and 4' position of 2 and 2' propyl-bridged axial chiral biphenyl cyclophanes on their atropisomerization process was studied. Estimated free energies ΔG(‡)(T) of the rotation around the central biphenyl bond which were obtained from (1)H-NMR coalescence measurements were correlated to the Hammett parameters σ(p) as a measure for electron donor and acceptor strength. It is demonstrated that the resulting nice linear correlation is mainly based on the influence of the different substituents on the π-system of the biphenyl cyclophanes. By lineshape analysis the rate constants were calculated and by the use of the Eyring equation the enthalpic and entropic contributions were evaluated. Density functional theory calculations show a planar transition state of the isomerization process and the calculated energy barriers based on this reaction mechanism are in good agreement with the experimentally obtained free energies.

Discrete sonic jets used as boundary-layer trips at Mach numbers of 6 and 8.5

NASA Technical Reports Server (NTRS)

Stone, D. R.; Cary, A. M., Jr.

1972-01-01

The effect of discrete three-dimensional sonic jets used to promote transition on a sharp-leading-edge flat plate at Mach numbers of 6 and 8.5 and unit Reynolds numbers as high as 2.5 x 100,000 per cm in the Langley 20-inch hypersonic tunnels is discussed. An examination of the downstream flow-field distortions associated with the discrete jets for the Mach 8.5 flow was also conducted. Jet trips are found to produce lengths of turbulent flow comparable to those obtained for spherical-roughness-element trips while significantly reducing the downstream flow distortions. A Reynolds number based upon secondary jet penetration into a supersonic main flow is used to correlate jet-trip effectiveness just as a Reynolds number based upon roughness height is used to correlate spherical-trip effectiveness. Measured heat-transfer data are in agreement with the predictions.

Noise Spectroscopy in Strongly Correlated Oxides

NASA Astrophysics Data System (ADS)

Alsaqqa, Ali M.

Strongly correlated materials are an interesting class of materials, thanks to the novel electronic and magnetic phenomena they exhibit as a result of the interplay of various degrees of freedom. This gives rise to an array of potential applications, from Mott-FET to magnetic storage. Many experimental probes have been used to study phase transitions in strongly correlated oxides. Among these, resistance noise spectroscopy, together with conventional transport measurements, provides a unique viewpoint to understand the microscopic dynamics near the phase transitions in these oxides. In this thesis, utilizing noise spectroscopy and transport measurements, four different strongly correlated materials were studied: (1) neodymium nickel oxide (NdNiO 3) ultrathin films, (2) vanadium dioxide (VO2) microribbons, (3) copper vanadium bronze (CuxV2O 5) microribbons and (4) niobium triselenide (NbSe3) microribbons. Ultra thin films of rare-earth nickelates exhibit several temperature-driven phase transitions. In this thesis, we studied the metal-insulator and Neel transitions in a series of NdNiO3 films with different lattice mismatches. Upon colling down, the metal-insulator phase transition is accompanied by a structural (orthorohombic to monoclinic) and magnetic (paramagnetic to antiferromagnetic) transitions as well, making the problem more interesting and complex at the same time. The noise is of the 1/f type and is Gaussian in the high temperature phase, however deviations are seen in the low temperature phases. Below the metal-insulator transition, noise magnitude increases by orders of magnitude: a sign of inhomogeneous electrical conduction as result of phase separation. This is further assured by the non-Gaussian noise signature. At very low temperatures (T < 50 K), the noise behavior switches between Gaussian and non-Gaussian over several hours, possibly arising from dynamically competing ground states. VO2 is one of the most widely studied strongly correlated oxides and is important from the fundamental physics point of view and for applications. Its transition from a metal to an insulator (MIT) with simple application of voltage is quite interesting. For use in applications, e.g. transistors, it is very important to have a clear understanding of the MIT. Equally important is the question of whether the thermally- and electrically-driven transitions have the same origin. In this thesis, we tried to answer this question by utilizing three different tuning parameters: temperature, voltage bias and strain. Our results point to an unusual noise behavior in the high-temperature metallic phase, and provide valuable insight into the transport dynamics of this material. CuxV2O5 exhibit a metal-insulator transition and, more interestingly, a superconductivity transition. Unlike VO2, copper vanadium bronzes are much less studied and many questions are still open, including the possibility of charge ordering transition, just like in other members of the vanadium family. In this thesis, we studied this material and found evidences for charge ordering transitions and possibly other transitions as well. The last material, NbSe3, is a prototypical example of charge density wave systems, where Peierls transitions exist. Here, we study the effects of contacts on resistance noise in the 1D limit. The study aimed to confirm that the electric field threshold is sample length independent, to find out if there is a relation between contact separation and the noise generated and to explore the characteristics of the contact noise. The results confirm that the electric field threshold is independent of the sample length. It was also found that the separation between the contacts does not affect the noise. Finally, the contact noise is of the 1/f-type and has a Gaussian distribution. These results are timely for future device applications utilizing NbSe3.

A preliminary study on multi-wavelength PPG based pulse transit time detection for cuffless blood pressure measurement.

PubMed

Jing Liu; Yuan-Ting Zhang; Xiao-Rong Ding; Wen-Xuan Dai; Ni Zhao

2016-08-01

Pulse transit time (PTT) has been widely studied as an index of blood pressure (BP) changes. In recent years, some prototypes of PTT-based wearable BP measurement devices have been developed, which can relieve users from the discomfort caused by the inflating cuff used in auscultatory and oscillometric BP measurement techniques. However, in the common practice for PTT detection, multi-site sensor implementation on human body is required, making it difficult for the integration of wearable devices. Since multi-wavelength (MW) photoplethysmogram (PPG) signals carry blood pulsation information of different blood vessels embedded in different skin depths, the time difference between different wavelength PPG signals collected at the same body site can be treated as a special PTT on a short length of blood vessels beneath the skin. In this work, the time difference between MW PPG, denoted as PTT_MW, was explored to track BP changes as a substitute of infrared (IR) PTT_EP. (PTT_EP is the time interval between electrocardiogram (ECG) and IR PPG.) Ten healthy adult subjects participated in the experiment, and their continuous BP, ECG and fingertip MW PPG signals generated from blue, green, yellow and IR light were recorded after 2-minute static handgrip exercise at 33% maximal voluntary contraction. The results showed that the correlation between Systolic BP (SBP) and IR-Blue PTT_MW (|r|= 0.52) was comparable to the correlation between SBP and IR PTT_EP (|r|= 0.59). Moreover, we optimized the wavelength combination of PTT_MWs for each subject and found the average value of optimal correlation between SBP and PTT_MW reached 0.76, which was significantly (p<;0.01) higher than the correlation between IR PTT_EP and SBP. This study reveals that the time difference between MW PPG can be potentially used as PTT for cuffless BP measurement with its unique advantage in simple sensor implementation at only one body site.

Temporal correlations in the Vicsek model with vectorial noise

NASA Astrophysics Data System (ADS)

Gulich, Damián; Baglietto, Gabriel; Rozenfeld, Alejandro F.

2018-07-01

We study the temporal correlations in the evolution of the order parameter ϕ(t) for the Vicsek model with vectorial noise by estimating its Hurst exponent H with detrended fluctuation analysis (DFA). We present results on this parameter as a function of noise amplitude η introduced in simulations. We also compare with well known order-disorder phase transition for that same noise range. We find that - regardless of detrending degree - H spikes at the known coexistence noise for phase transition, and that this is due to nonstationarities introduced by the transit of the system between two well defined states with lower exponents. We statistically support this claim by successfully synthesizing equivalent cases derived from a transformed fractional Brownian motion (TfBm).

Characteristic Lifetime Of A Polarized Feature In The V=0, J=1-0 Sio Maser VY Canis Majoris

NASA Astrophysics Data System (ADS)

Rislow, Benjamin; McIntosh, G. C.

2008-05-01

A time series cross correlation analysis has been developed for calculating the characteristic lifetime of linearly polarized features in the spectrum of silicon monoxide masers. Our observations of VY CMa in the v=0, J=1→0; transition from June 2003 to March 2006 revealed a highly linearly polarized feature at Vlsr=18.5 km s-1. Applying the cross correlation to this feature gave a characteristic lifetime of 2800 days. This time is much longer than the v=1, J=2→1; transition's lifetime of 645 days and indicates that the two transitions occur under different physical conditions. This research was supported by the University of Minnesota and the University of Minnesota, Morris.

Metal-insulator transition in a doubly orbitally degenerate model with correlated hopping

NASA Astrophysics Data System (ADS)

Didukh, L.; Skorenkyy, Yu.; Dovhopyaty, Yu.; Hankevych, V.

2000-03-01

In the present paper, we propose a doubly orbitally degenerate narrow-band model with correlated hopping. The peculiarity of the model is taking into account the matrix element of electron-electron interaction, which describes intersite hoppings of electrons. In particular, this leads to the concentration dependence of the effective hopping integral. The cases of the strong and weak Hund's coupling are considered. By means of a generalized mean-field approximation the single-particle Green function and quasiparticle energy spectrum are calculated. Metal-insulator transition is studied in the model at different integer values of the electron concentration. With the help of the obtained energy spectrum, we find energy gap width and criteria of metal-insulator transition.

Phase transition in 2-d system of quadrupoles on square lattice with anisotropic field

NASA Astrophysics Data System (ADS)

Sallabi, A. K.; Alkhttab, M.

2014-12-01

Monte Carlo method is used to study a simple model of two-dimensional interacting quadrupoles on ionic square lattice with anisotropic strength provided by the ionic lattice. Order parameter, susceptibility and correlation function data, show that this system form an ordered structure with p(2×1) symmetry at low temperature. The p(2×1) structure undergoes an order-disorder phase transition into disordered (1×1) phase at 8.3K. The two-point correlation function show exponential dependence on distance both above and below the transition temperature. At Tc the two-point correlation function shows a power law dependence on distance, e.g. C(r) ~ 1η. The value of the exponent η at Tc shows small deviation from the Ising value and indicates that this system falls into the same universality class as the XY model with cubic anisotropy. This model can be applied to prototypical quadrupoles physisorbed systems as N2 on NaCl(100).

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.

Raman spectroscopy of DNA-metal complexes. I. Interactions and conformational effects of the divalent cations: Mg, Ca, Sr, Ba, Mn, Co, Ni, Cu, Pd, and Cd.

PubMed

Duguid, J; Bloomfield, V A; Benevides, J; Thomas, G J

1993-11-01

Interactions of divalent metal cations (Mg2+, Ca2+, Ba2+, Sr2+, Mn2+, Co2+, Ni2+, Cu2+, Pd2+, and Cd2+) with DNA have been investigated by laser Raman spectroscopy. Both genomic calf-thymus DNA (> 23 kilobase pairs) and mononucleosomal fragments (160 base pairs) were employed as targets of metal interaction in solutions containing 5 weight-% DNA and metal:phosphate molar ratios of 0.6:1. Raman difference spectra reveal that transition metal cations (Mn2+, Co2+, Ni2+, Cu2+, Pd2+, and Cd2+) induce the greatest structural changes in B-DNA. The Raman (vibrational) band differences are extensive and indicate partial disordering of the B-form backbone, reduction in base stacking, reduction in base pairing, and specific metal interaction with acceptor sites on the purine (N7) and pyrimidine (N3) rings. Many of the observed spectral changes parallel those accompanying thermal denaturation of B-DNA and suggest that the metals link the bases of denatured DNA. While exocyclic carbonyls of dT, dG, and dC may stabilize metal ligation, correlation plots show that perturbations of the carbonyls are mainly a consequence of metal-induced denaturation of the double helix. Transition metal interactions with the DNA phosphates are weak in comparison to interactions with the bases, except in the case of Cu2+, which strongly perturbs both base and phosphate group vibrations. On the other hand, the Raman signature of B-DNA is largely unperturbed by Mg2+, Ca2+, Sr2+, and Ba2+, suggesting much weaker interactions of the alkaline earth metals with both base and phosphate sites. A notable exception is a moderate perturbation by alkaline earths of purine N7 sites in 160-base pair DNA, with Ca2+ causing the greatest effect. Correlation plots demonstrate a strong interrelationship between perturbations of Raman bands assigned to ring vibrations of the bases and those of bands assigned to exocyclic carbonyls and backbone phosphodiester groups. However, strong correlations do not occur between the Raman phosphodioxy band (centered near 1092 cm-1) and other Raman bands, suggesting that the former is not highly sensitive to the structural changes induced by divalent metal cations. The structural perturbations induced by divalent cations are much greater for > 23-kilobase pair DNA than for 160-base pair DNA, as evidenced by both the Raman difference spectra and the tendency toward the formation of insoluble aggregates. In the presence of transition metals, aggregation of high-molecular-weight DNA is evident at temperatures as low as 11 degrees C. A relationship between DNA melting and aggregation is proposed in which initial metal binding at major groove sites locally destabilizes the B-DNA double helix, causing displacement of the bases away from one another and exposing additional metal binding sites. Metal cation linkage of two displaced bases would allow separate DNA strands to crosslink. Aggregation is proposed to result from the formation of an extended network of these crosslinks.

State dependence of noise correlations in macaque primary visual cortex

PubMed Central

Ecker, Alexander S.; Berens, Philipp; Cotton, R. James; Subramaniyan, Manivannan; Denfield, George H.; Cadwell, Cathryn R.; Smirnakis, Stelios M.; Bethge, Matthias; Tolias, Andreas S.

2014-01-01

Shared, trial-to-trial variability in neuronal populations has a strong impact on the accuracy of information processing in the brain. Estimates of the level of such noise correlations are diverse, ranging from 0.01 to 0.4, with little consensus on which factors account for these differences. Here we addressed one important factor that varied across studies, asking how anesthesia affects the population activity structure in macaque primary visual cortex. We found that under opioid anesthesia, activity was dominated by strong coordinated fluctuations on a timescale of 1–2 Hz, which were mostly absent in awake, fixating monkeys. Accounting for these global fluctuations markedly reduced correlations under anesthesia, matching those observed during wakefulness and reconciling earlier studies conducted under anesthesia and in awake animals. Our results show that internal signals, such as brain state transitions under anesthesia, can induce noise correlations, but can also be estimated and accounted for based on neuronal population activity. PMID:24698278