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Sample records for absolute rate theory

  1. Absolute rate theories of epigenetic stability

    NASA Astrophysics Data System (ADS)

    Walczak, Aleksandra M.; Onuchic, José N.; Wolynes, Peter G.

    2005-12-01

    Spontaneous switching events in most characterized genetic switches are rare, resulting in extremely stable epigenetic properties. We show how simple arguments lead to theories of the rate of such events much like the absolute rate theory of chemical reactions corrected by a transmission factor. Both the probability of the rare cellular states that allow epigenetic escape and the transmission factor depend on the rates of DNA binding and unbinding events and on the rates of protein synthesis and degradation. Different mechanisms of escape from the stable attractors occur in the nonadiabatic, weakly adiabatic, and strictly adiabatic regimes, characterized by the relative values of those input rates. rate theory | stochastic gene expression | gene switches

  2. Quantum theory allows for absolute maximal contextuality

    NASA Astrophysics Data System (ADS)

    Amaral, Barbara; Cunha, Marcelo Terra; Cabello, Adán

    2015-12-01

    Contextuality is a fundamental feature of quantum theory and a necessary resource for quantum computation and communication. It is therefore important to investigate how large contextuality can be in quantum theory. Linear contextuality witnesses can be expressed as a sum S of n probabilities, and the independence number α and the Tsirelson-like number ϑ of the corresponding exclusivity graph are, respectively, the maximum of S for noncontextual theories and for the theory under consideration. A theory allows for absolute maximal contextuality if it has scenarios in which ϑ /α approaches n . Here we show that quantum theory allows for absolute maximal contextuality despite what is suggested by the examination of the quantum violations of Bell and noncontextuality inequalities considered in the past. Our proof is not constructive and does not single out explicit scenarios. Nevertheless, we identify scenarios in which quantum theory allows for almost-absolute-maximal contextuality.

  3. The Absolute Rate of LGRB Formation

    NASA Astrophysics Data System (ADS)

    Graham, J. F.; Schady, P.

    2016-06-01

    We estimate the long-duration gamma-ray burst (LGRB) progenitor rate using our recent work on the effects of environmental metallically on LGRB formation in concert with supernovae (SNe) statistics via an approach patterned loosely off the Drake equation. Beginning with the cosmic star formation history, we consider the expected number of broad-line Type Ic events (the SNe type associated with LGRBs) that are in low-metallicity host environments adjusted by the contribution of high-metallicity host environments at a much reduced rate. We then compare this estimate to the observed LGRB rate corrected for instrumental selection effects to provide a combined estimate of the efficiency fraction of these progenitors to produce LGRBs and the fraction of which are beamed in our direction. From this we estimate that an aligned LGRB occurs for approximately every 4000 ± 2000 low-metallically broad-lined SNe Ic. Therefore, if one assumes a semi-nominal beaming factor of 100, then only about one such supernova out of 40 produce an LGRB. Finally, we propose an off-axis LGRB search strategy of targeting only broad-line Type Ic events that occur in low-metallicity hosts for radio observation.

  4. Measurement of Disintegration Rates and Absolute {gamma}-ray Intensities

    SciTech Connect

    DeVries, Daniel J.; Griffin, Henry C.

    2006-03-13

    The majority of practical radioactive materials decay by modes that include {gamma}-ray emission. For questions of 'how much' or 'how pure', one must know the absolute intensities of the major radiations. We are using liquid scintillation counting (LSC) to measurements of disintegration rates, coupled with {gamma}-ray spectroscopy to measure absolute {gamma}-ray emission probabilities. Described is a study of the 227Th chain yielding absolute {gamma}-ray intensities with {approx}0.5% accuracy and information on LSC efficiencies.

  5. Rate Change Graph Technology: Absolute Value Point Methodology

    NASA Astrophysics Data System (ADS)

    Strickland, Ken; Duvernois, Michael

    2011-10-01

    Absolute Value Point Methodology (AVPM) is a new theoretical tool for science research centered on Rate Change Graph Technology (RCGT). The modeling techniques of AVPM surpass conventional methods by extending the geometrical rules of mathematics. Exact geometrical structures of matter and energy become clearer revealing new ways to compile advanced data. RCGT mechanics is realized from geometrical intersections that are the result of plotting changing value vs. changing geometry. RCGT methods ignore size and value to perform an objective analysis in geometry. Value and size are then re-introduced back into the analytical system for a clear and concise solution. Available AVPM applications reveal that a massive amount of data from the Big Bang to vast super-clusters is untouched by human thought. Once scientists learn to design tools from RCGT Mechanics, new and formidable approaches to experimentation and theory may lead to new discoveries. In the creation of AVPM, it has become apparent there is a particle-world that exists between strings and our familiar universe. These unrealized particles in their own nature exhibit inflation like properties and may be the progenitor of the implements of our universe. Thus space, time, energy, motion, space-time and gravity are born from its existence and decay. This announcement will be the beginning of many new ideas from the study of RCGT mechanics.

  6. Rate theories for biologists

    PubMed Central

    Zhou, Huan-Xiang

    2012-01-01

    Some of the rate theories that are most useful for modeling biological processes are reviewed. By delving into some of the details and subtleties in the development of the theories, the review will hopefully help the reader gain a more than superficial perspective. Examples are presented to illustrate how rate theories can be used to generate insight at the microscopic level into biomolecular behaviors. Attempt is made to clear up a number of misconceptions in the literature regarding popular rate theories, including the appearance of Planck’s constant in the transition-state theory and the Smoluchowski result as an upper limit for protein-protein and protein-DNA association rate constants. Future work in combining the implementation of rate theories through computer simulations with experimental probes of rate processes, and in modeling effects of intracellular environments so theories can be used for generating rate constants for systems biology studies is particularly exciting. PMID:20691138

  7. Flow rate calibration for absolute cell counting rationale and design.

    PubMed

    Walker, Clare; Barnett, David

    2006-05-01

    There is a need for absolute leukocyte enumeration in the clinical setting, and accurate, reliable (and affordable) technology to determine absolute leukocyte counts has been developed. Such technology includes single platform and dual platform approaches. Derivations of these counts commonly incorporate the addition of a known number of latex microsphere beads to a blood sample, although it has been suggested that the addition of beads to a sample may only be required to act as an internal quality control procedure for assessing the pipetting error. This unit provides the technical details for undertaking flow rate calibration that obviates the need to add reference beads to each sample. It is envisaged that this report will provide the basis for subsequent clinical evaluations of this novel approach. PMID:18770842

  8. Robust control design with real parameter uncertainty using absolute stability theory. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    How, Jonathan P.; Hall, Steven R.

    1993-01-01

    The purpose of this thesis is to investigate an extension of mu theory for robust control design by considering systems with linear and nonlinear real parameter uncertainties. In the process, explicit connections are made between mixed mu and absolute stability theory. In particular, it is shown that the upper bounds for mixed mu are a generalization of results from absolute stability theory. Both state space and frequency domain criteria are developed for several nonlinearities and stability multipliers using the wealth of literature on absolute stability theory and the concepts of supply rates and storage functions. The state space conditions are expressed in terms of Riccati equations and parameter-dependent Lyapunov functions. For controller synthesis, these stability conditions are used to form an overbound of the H2 performance objective. A geometric interpretation of the equivalent frequency domain criteria in terms of off-axis circles clarifies the important role of the multiplier and shows that both the magnitude and phase of the uncertainty are considered. A numerical algorithm is developed to design robust controllers that minimize the bound on an H2 cost functional and satisfy an analysis test based on the Popov stability multiplier. The controller and multiplier coefficients are optimized simultaneously, which avoids the iteration and curve-fitting procedures required by the D-K procedure of mu synthesis. Several benchmark problems and experiments on the Middeck Active Control Experiment at M.I.T. demonstrate that these controllers achieve good robust performance and guaranteed stability bounds.

  9. Study on improving the turbidity measurement of the absolute coagulation rate constant.

    PubMed

    Sun, Zhiwei; Liu, Jie; Xu, Shenghua

    2006-05-23

    The existing theories dealing with the evaluation of the absolute coagulation rate constant by turbidity measurement were experimentally tested for different particle-sized (radius = a) suspensions at incident wavelengths (lambda) ranging from near-infrared to ultraviolet light. When the size parameter alpha = 2pi a/lambda > 3, the rate constant data from previous theories for fixed-sized particles show significant inconsistencies at different light wavelengths. We attribute this problem to the imperfection of these theories in describing the light scattering from doublets through their evaluation of the extinction cross section. The evaluations of the rate constants by all previous theories become untenable as the size parameter increases and therefore hampers the applicable range of the turbidity measurement. By using the T-matrix method, we present a robust solution for evaluating the extinction cross section of doublets formed in the aggregation. Our experiments show that this new approach is effective in extending the applicability range of the turbidity methodology and increasing measurement accuracy.

  10. Explaining the Relative and Absolute LGRB Rate with Metallically

    NASA Astrophysics Data System (ADS)

    Graham, John

    2016-01-01

    There is now strong evidence that Long-duration Gamma-Ray Bursts (LGRBs) have an intrinsic preference for low-metallicity environments despite the existence of some exceptions to this trend (Graham & Fruchter 2013). Here I will present a pair of results expanding on this work. First, a detailed effort to quantize magnitude of this effect, and characterized its change as a function of metallicity. Thus we directly address a fundamental question of this subfield: how much more likely is an LGRB to form at one metallicity as compared with another? Then, employing these results, we relate the LGRB rate as a function of redshift to the cosmic star-formation rate and provide a detailed breakdown of the intervening steps and their rate of occurrence. This provides interesting implications for radio search efforts to detect off axis LGRB events which will be discussed.

  11. Rate-distortion theory and human perception.

    PubMed

    Sims, Chris R

    2016-07-01

    The fundamental goal of perception is to aid in the achievement of behavioral objectives. This requires extracting and communicating useful information from noisy and uncertain sensory signals. At the same time, given the complexity of sensory information and the limitations of biological information processing, it is necessary that some information must be lost or discarded in the act of perception. Under these circumstances, what constitutes an 'optimal' perceptual system? This paper describes the mathematical framework of rate-distortion theory as the optimal solution to the problem of minimizing the costs of perceptual error subject to strong constraints on the ability to communicate or transmit information. Rate-distortion theory offers a general and principled theoretical framework for developing computational-level models of human perception (Marr, 1982). Models developed in this framework are capable of producing quantitatively precise explanations for human perceptual performance, while yielding new insights regarding the nature and goals of perception. This paper demonstrates the application of rate-distortion theory to two benchmark domains where capacity limits are especially salient in human perception: discrete categorization of stimuli (also known as absolute identification) and visual working memory. A software package written for the R statistical programming language is described that aids in the development of models based on rate-distortion theory. PMID:27107330

  12. Rate-distortion theory and human perception.

    PubMed

    Sims, Chris R

    2016-07-01

    The fundamental goal of perception is to aid in the achievement of behavioral objectives. This requires extracting and communicating useful information from noisy and uncertain sensory signals. At the same time, given the complexity of sensory information and the limitations of biological information processing, it is necessary that some information must be lost or discarded in the act of perception. Under these circumstances, what constitutes an 'optimal' perceptual system? This paper describes the mathematical framework of rate-distortion theory as the optimal solution to the problem of minimizing the costs of perceptual error subject to strong constraints on the ability to communicate or transmit information. Rate-distortion theory offers a general and principled theoretical framework for developing computational-level models of human perception (Marr, 1982). Models developed in this framework are capable of producing quantitatively precise explanations for human perceptual performance, while yielding new insights regarding the nature and goals of perception. This paper demonstrates the application of rate-distortion theory to two benchmark domains where capacity limits are especially salient in human perception: discrete categorization of stimuli (also known as absolute identification) and visual working memory. A software package written for the R statistical programming language is described that aids in the development of models based on rate-distortion theory.

  13. Absolute and Relative Reliability of Percentage of Syllables Stuttered and Severity Rating Scales

    ERIC Educational Resources Information Center

    Karimi, Hamid; O'Brian, Sue; Onslow, Mark; Jones, Mark

    2014-01-01

    Purpose: Percentage of syllables stuttered (%SS) and severity rating (SR) scales are measures in common use to quantify stuttering severity and its changes during basic and clinical research conditions. However, their reliability has not been assessed with indices measuring both relative and absolute reliability. This study was designed to provide…

  14. Effective light absorption and absolute electron transport rates in the coral Pocillopora damicornis.

    PubMed

    Szabó, Milán; Wangpraseurt, Daniel; Tamburic, Bojan; Larkum, Anthony W D; Schreiber, Ulrich; Suggett, David J; Kühl, Michael; Ralph, Peter J

    2014-10-01

    Pulse Amplitude Modulation (PAM) fluorometry has been widely used to estimate the relative photosynthetic efficiency of corals. However, both the optical properties of intact corals as well as past technical constrains to PAM fluorometers have prevented calculations of the electron turnover rate of PSII. We used a new Multi-colour PAM (MC-PAM) in parallel with light microsensors to determine for the first time the wavelength-specific effective absorption cross-section of PSII photochemistry, σII(λ), and thus PAM-based absolute electron transport rates of the coral photosymbiont Symbiodinium both in culture and in hospite in the coral Pocillopora damicornis. In both cases, σII of Symbiodinium was highest in the blue spectral region and showed a progressive decrease towards red wavelengths. Absolute values for σII at 440 nm were up to 1.5-times higher in culture than in hospite. Scalar irradiance within the living coral tissue was reduced by 20% in the blue when compared to the incident downwelling irradiance. Absolute electron transport rates of P. damicornis at 440 nm revealed a maximum PSII turnover rate of ca. 250 electrons PSII(-1) s(-1), consistent with one PSII turnover for every 4 photons absorbed by PSII; this likely reflects the limiting steps in electron transfer between PSII and PSI. Our results show that optical properties of the coral host strongly affect light use efficiency of Symbiodinium. Therefore, relative electron transport rates do not reflect the productivity rates (or indeed how the photosynthesis-light response is parameterised). Here we provide a non-invasive approach to estimate absolute electron transport rates in corals.

  15. Misconceptions in recent papers on special relativity and absolute space theories

    NASA Technical Reports Server (NTRS)

    Torr, D. G.; Kolen, P.

    1982-01-01

    Several recent papers which purport to substantiate or negate arguments in favor of certain theories of absolute space have been based on fallacious principles. This paper discusses three related instances, indicating where misconceptions have arisen. It is established, contrary to popular belief, that the classical Lorentz ether theory accounts for all the experimental evidence which supports the special theory of relativity. It is demonstrated that the ether theory predicts the null results obtained from pulsar timing and Moessbauer experiments. It is concluded that a measurement of the one-way velocity of light has physical meaning within the context of the Lorentz theory, and it is argued that an adequately designed experiment to measure the one-way velocity of light should be attempted.

  16. Absolute Rate Constants for the Reaction of OH with [|#11#|]Cyclopentane and Cycloheptane from 230-350 K

    NASA Astrophysics Data System (ADS)

    Dransfield, T. J.; Gennaco, M. M.; Huang, Y.; Hannun, R. A.

    2011-12-01

    We report absolute measurements of the rate constants of the reaction of hydroxyl radical (OH) with cyclopentane and cycloheptane in 6-8 Torr of nitrogen from 230-350 K using Harvard's High Pressure Flow System. Ethane's reactivity was simultaneously measured as a test of experimental performance. Hydroxyl concentrations were measured using Laser-Induced Fluorescence, and alkane concentrations were measured using Fourier-Transform Infrared Spectroscopy. Recent work on this flow system has suggested that cyclohexane has a significantly higher activation energy to reaction with OH than does cyclo-octane, a result which is not suggested by our understanding of hydrocarbon reactivity nor predicted by structure-activity relationships. This work examines the temperature dependent rates for two other similarly-sized cycloalkanes to determine whether they behave as cyclohexane or as cyclooctane. While several previous experiments have studied the reaction with cyclopentane, there is significant scatter in the room temperature rates, and only four absolute rate measurements are available at non-ambient temperatures. There are only two absolute rate measurements available for the reaction with cycloheptane; only one of these reports a temperature dependence, and that study is limited to temperatures above 298 K. Thus, this work significantly expands the available data set for both reactions. The data for the reactions of OH with ethane, cyclopentane, cyclohexane, and cycloheptane are all modeled using a simple Arrhenius fit, and also with a modified Arrhenius equation based on transition state theory, ignoring tunneling. Results from the latter fit indicate that the activation barriers for both title reactions are greater than that of OH + cyclo-octane. The measured activation energy for OH + cyclopentane actually exceeds that of OH + cyclohexane.

  17. Absolute rate of the reaction of hydrogen atoms with ozone from 219-360 K

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1978-01-01

    Absolute rate constants for the reaction of atomic hydrogen with ozone were obtained over the temperature range 219-360 K by the flash photolysis-resonance fluorescence technique. The results can be expressed in Arrhenius form by K = (1.33 plus or minus 0.32)x10 to the minus 10 power exp (-449 plus or minus 58/T) cu cm/molecule/s (two standard deviations). The present work is compared to two previous determinations and is discussed theoretically.

  18. Absolute Density Calibration Cell for Laser Induced Fluorescence Erosion Rate Measurements

    NASA Technical Reports Server (NTRS)

    Domonkos, Matthew T.; Stevens, Richard E.

    2001-01-01

    Flight qualification of ion thrusters typically requires testing on the order of 10,000 hours. Extensive knowledge of wear mechanisms and rates is necessary to establish design confidence prior to long duration tests. Consequently, real-time erosion rate measurements offer the potential both to reduce development costs and to enhance knowledge of the dependency of component wear on operating conditions. Several previous studies have used laser-induced fluorescence (LIF) to measure real-time, in situ erosion rates of ion thruster accelerator grids. Those studies provided only relative measurements of the erosion rate. In the present investigation, a molybdenum tube was resistively heated such that the evaporation rate yielded densities within the tube on the order of those expected from accelerator grid erosion. This work examines the suitability of the density cell as an absolute calibration source for LIF measurements, and the intrinsic error was evaluated.

  19. Absolute rate coefficients for the recombination of open f-shell tungsten ions

    NASA Astrophysics Data System (ADS)

    Krantz, C.; Spruck, K.; Badnell, N. R.; Becker, A.; Bernhardt, D.; Grieser, M.; Hahn, M.; Novotný, O.; Repnow, R.; Savin, D. W.; Wolf, A.; Müller, A.; Schippers, S.

    2014-04-01

    We have carried out direct measurements of the absolute recombination rate coefficients of four charge states of tungsten in the range from W18+ to W21+ in a heavy ion storage ring. We find that the rich atomic fine structure of the open f-shell leads to very high resonant enhancement of the recombination rate at energies below ~50 eV. Even in the higher energy domain relevant to fusion plasma this leads to a recombination rate coefficient that is more than four times higher than predicted by the commonly used ADAS database of recombination rates. In addition to the experimental measurements we have carried out theoretical calculations using Autostructure. For W20+ these predict a plasma recombination rate coefficient that agrees much better with the measurement than the ADAS model but still fail to reproduce the experimental data in detail.

  20. The Br+HO 2 reaction revisited: Absolute determination of the rate constant at 298 K

    NASA Astrophysics Data System (ADS)

    Laverdet, G.; Le Bras, G.; Mellouki, A.; Poulet, G.

    1990-09-01

    The absolute determination of the rate constant for the reaction Br+HO 2→HBr+O 2 has been done at 298 K using the discharge-flor EPR method. The value k1 = (1.5±0.2) × 10 -12 cm 3 molecule -1 s -1 was obtained. Previous indirect measurements of k1 from a discharge-flow, LIF/mass spectrometric study of the Br/H 2CO/O 2 system have been reinterpreted, leading to values for k1 ranging from 1.0 × 10 -12 to 2.2 × 10 -12 cm 3 molecule -1 s -1 at 298 K. These results are discussed and compared with other literature values.

  1. Divided Saddle Theory: A New Idea for Rate Constant Calculation.

    PubMed

    Daru, János; Stirling, András

    2014-03-11

    We present a theory of rare events and derive an algorithm to obtain rates from postprocessing the numerical data of a free energy calculation and the corresponding committor analysis. The formalism is based on the division of the saddle region of the free energy profile of the rare event into two adjacent segments called saddle domains. The method is built on sampling the dynamics within these regions: auxiliary rate constants are defined for the saddle domains and the absolute forward and backward rates are obtained by proper reweighting. We call our approach divided saddle theory (DST). An important advantage of our approach is that it requires only standard computational techniques which are available in most molecular dynamics codes. We demonstrate the potential of DST numerically on two examples: rearrangement of alanine-dipeptide (CH3CO-Ala-NHCH3) conformers and the intramolecular Cope reaction of the fluxional barbaralane molecule.

  2. Common features of extraordinary rate theories.

    PubMed

    Peters, Baron

    2015-05-28

    We examine the capabilities and foundations of three landmark rate theories: harmonic transition state theory, classical nucleation theory, and the Marcus theory of electron transfer. Each of the three classic rate theories is widely used to predict rates and trends. They are also used "in reverse" to interpret experimental data with no computation at all. Their common foundations include a quasi-equilibrium assumption and dimensionality reduction to a physically meaningful, one-dimensional, and broadly applicable reaction coordinate. Many applications lie beyond the scope of the classic theories, so rare events research has pursued trajectory-based methods that efficiently predict accurate rate constants even when the reaction coordinate and mechanistic details are unknown. Trajectory based rare events methods achieved these ambitious goals, but (by construction) they provide rates rather than mechanistic understanding. We briefly discuss recent efforts to identify reaction coordinates, including methods which provide abstract statistically defined coordinates and those which identify physical collective variables. Finally, we note some natural synergies between existing simulation methods which might help discover simple and powerful quasi-equilibrium theories for the many applications that fall beyond the scope of the classic rate theories.

  3. Optical factors determined by the T-matrix method in turbidity measurement of absolute coagulation rate constants.

    PubMed

    Xu, Shenghua; Liu, Jie; Sun, Zhiwei

    2006-12-01

    Turbidity measurement for the absolute coagulation rate constants of suspensions has been extensively adopted because of its simplicity and easy implementation. A key factor in deriving the rate constant from experimental data is how to theoretically evaluate the so-called optical factor involved in calculating the extinction cross section of doublets formed during aggregation. In a previous paper, we have shown that compared with other theoretical approaches, the T-matrix method provides a robust solution to this problem and is effective in extending the applicability range of the turbidity methodology, as well as increasing measurement accuracy. This paper will provide a more comprehensive discussion of the physical insight for using the T-matrix method in turbidity measurement and associated technical details. In particular, the importance of ensuring the correct value for the refractive indices for colloidal particles and the surrounding medium used in the calculation is addressed, because the indices generally vary with the wavelength of the incident light. The comparison of calculated results with experiments shows that the T-matrix method can correctly calculate optical factors even for large particles, whereas other existing theories cannot. In addition, the data of the optical factor calculated by the T-matrix method for a range of particle radii and incident light wavelengths are listed.

  4. Subjective evaluation of HDTV stereoscopic videos in IPTV scenarios using absolute category rating

    NASA Astrophysics Data System (ADS)

    Wang, K.; Barkowsky, M.; Cousseau, R.; Brunnström, K.; Olsson, R.; Le Callet, P.; Sjöström, M.

    2011-03-01

    Broadcasting of high definition (HD) stereobased 3D (S3D) TV are planned, or has already begun, in Europe, the US, and Japan. Specific data processing operations such as compression and temporal and spatial resampling are commonly used tools for saving network bandwidth when IPTV is the distribution form, as this results in more efficient recording and transmission of 3DTV signals, however at the same time it inevitably brings quality degradations to the processed video. This paper investigated observers quality judgments of state of the art video coding schemes (simulcast H.264/AVC or H.264/MVC), with or without added temporal and spatial resolution reduction of S3D videos, by subjective experiments using the Absolute Category Rating method (ACR) method. The results showed that a certain spatial resolution reduction working together with high quality video compressing was the most bandwidth efficient way of processing video data when the required video quality is to be judged as "good" quality. As the subjective experiment was performed in two different laboratories in two different countries in parallel, a detailed analysis of the interlab differences was performed.

  5. Statistical theory of asteroid escape rates.

    PubMed

    Jaffé, Charles; Ross, Shane D; Lo, Martin W; Marsden, Jerrold; Farrelly, David; Uzer, T

    2002-07-01

    Transition states in phase space are identified and shown to regulate the rate of escape of asteroids temporarily captured in circumplanetary orbits. The transition states, similar to those occurring in chemical reaction dynamics, are then used to develop a statistical semianalytical theory for the rate of escape of asteroids temporarily captured by Mars. Theory and numerical simulations are found to agree to better than 1%. These calculations suggest that further development of transition state theory in celestial mechanics, as an alternative to large-scale numerical simulations, will be a fruitful approach to mass transport calculations. PMID:12097024

  6. Statistical theory of asteroid escape rates.

    PubMed

    Jaffé, Charles; Ross, Shane D; Lo, Martin W; Marsden, Jerrold; Farrelly, David; Uzer, T

    2002-07-01

    Transition states in phase space are identified and shown to regulate the rate of escape of asteroids temporarily captured in circumplanetary orbits. The transition states, similar to those occurring in chemical reaction dynamics, are then used to develop a statistical semianalytical theory for the rate of escape of asteroids temporarily captured by Mars. Theory and numerical simulations are found to agree to better than 1%. These calculations suggest that further development of transition state theory in celestial mechanics, as an alternative to large-scale numerical simulations, will be a fruitful approach to mass transport calculations.

  7. Current Absolute Plate Velocities Inferred from Hotspot Tracks, Comparison with Absolute Velocities Inferred from Seismic Anisotropy, and Bounds on Rates of Motion Between Groups of Hotspots

    NASA Astrophysics Data System (ADS)

    Wang, C.; Gordon, R. G.; Zheng, L.

    2015-12-01

    Hotspot tracks have been widely used to estimate the velocities of the plate relative to the lower mantle. Here we analyze the hotspot azimuth data set of Morgan and Phipps Morgan [2007] and show that the errors in plate velocity azimuths inferred from hotspot tracks in any one plate are correlated with the errors of other azimuths in the same plate. We use a two-tier analysis to account for this correlated error. First, we determine an individual best-fitting pole for each plate. Second, we determine the absolute plate velocity by minimizing the misfit while constrained by the MORVEL relative plate velocities [DeMets et al. 2010]. Our preferred model, HS4-MORVEL, uses azimuths from 9 major plates, which are weighted equally. We find that the Pacific plate rotates 0.860.016°Ma-1 right handed about 63.3°S, 96.1°E. Angular velocities of four plates (Amur, Eurasia, Yangtze and Antarctic) differ insignificantly from zero. The net rotation of the lithosphere is 0.24°±0.014° Ma-1 right handed about 52.3S, 56.9E. The angular velocities differ insignificantly from the absolute angular velocities inferred from the orientation of seismic anisotropy [Zheng et al. 2014]. The within-plate dispersion of hotspot track azimuths is 14°, which is comparable to the within-plate dispersion found from orientations of seismic anisotropy. The between-plate dispersion is 6.9±2.4° (95% confidence limits), which is smaller than that found from seismic anisotropy. The between-plate dispersion of 4.5° to 9.3° can be used to place bounds on how fast hotspots under one plate move relative to hotspots under another plate. For an average plate absolute speed of ≈50 mm/yr, the between-plate dispersion indicates a rate of motion of 4 mm/yr to 8 mm/yr for the component of hotspot motion perpendicular to plate motion. This upper bound is consistent with prior work that indicated upper bounds on motion between Pacific hotspots and Indo-Atlantic hotspots over the past 48 Ma of 8-13 mm

  8. Deciding Optimal Noise Monitoring Sites with Matrix Gray Absolute Relation Degree Theory

    NASA Astrophysics Data System (ADS)

    Gao, Zhihua; Li, Yadan; Zhao, Limin; Wang, Shuangwei

    2015-08-01

    Noise maps are applied to assess noise level in cities all around the world. There are mainly two ways of producing noise maps: one way is producing noise maps through theoretical simulations with the surrounding conditions, such as traffic flow, building distribution, etc.; the other one is calculating noise level with actual measurement data from noise monitors. Currently literature mainly focuses on considering more factors that affect sound traveling during theoretical simulations and interpolation methods in producing noise maps based on measurements of noise. Although many factors were considered during simulation, noise maps have to be calibrated by actual noise measurements. Therefore, the way of obtaining noise data is significant to both producing and calibrating a noise map. However, there is little literature mentioned about rules of deciding the right monitoring sites when placed the specified number of noise sensors and given the deviation of a noise map produced with data from them. In this work, by utilizing matrix Gray Absolute Relation Degree Theory, we calculated the relation degrees between the most precise noise surface and those interpolated with different combinations of noise data with specified number. We found that surfaces plotted with different combinations of noise data produced different relation degrees with the most precise one. Then we decided the least significant one among the total and calculated the corresponding deviation when it was excluded in making a noise surface. Processing the left noise data in the same way, we found out the least significant datum among the left data one by one. With this method, we optimized the noise sensor’s distribution in an area about 2km2. And we also calculated the bias of surfaces with the least significant data removed. Our practice provides an optimistic solution to the situation faced by most governments that there is limited financial budget available for noise monitoring, especially in

  9. On determining absolute entropy without quantum theory or the third law of thermodynamics

    NASA Astrophysics Data System (ADS)

    Steane, Andrew M.

    2016-04-01

    We employ classical thermodynamics to gain information about absolute entropy, without recourse to statistical methods, quantum mechanics or the third law of thermodynamics. The Gibbs–Duhem equation yields various simple methods to determine the absolute entropy of a fluid. We also study the entropy of an ideal gas and the ionization of a plasma in thermal equilibrium. A single measurement of the degree of ionization can be used to determine an unknown constant in the entropy equation, and thus determine the absolute entropy of a gas. It follows from all these examples that the value of entropy at absolute zero temperature does not need to be assigned by postulate, but can be deduced empirically.

  10. Absolute rate calculations: atom and proton transfers in hydrogen-bonded systems.

    PubMed

    Barroso, Mónica; Arnaut, Luis G; Formosinho, Sebastião J

    2005-02-01

    We calculate energy barriers of atom- and proton-transfer reactions in hydrogen-bonded complexes in the gas phase. Our calculations do not involve adjustable parameters and are based on bond-dissociation energies, ionization potentials, electron affinities, bond lengths, and vibration frequencies of the reactive bonds. The calculated barriers are in agreement with experimental data and high-level ab initio calculations. We relate the height of the barrier with the molecular properties of the reactants and complexes. The structure of complexes with strong hydrogen bonds approaches that of the transition state, and substantially reduces the barrier height. We calculate the hydrogen-abstraction rates in H-bonded systems using the transition-state theory with the semiclassical correction for tunneling, and show that they are in excellent agreement with the experimental data. H-bonding leads to an increase in tunneling corrections at room temperature. PMID:15751360

  11. Equilibration Rates and Negative Absolute Temperatures for Ultracold Atoms in Optical Lattices

    NASA Astrophysics Data System (ADS)

    Rapp, Akos; Mandt, Stephan; Rosch, Achim

    2010-11-01

    As highly tunable interacting systems, cold atoms in optical lattices are ideal to realize and observe negative absolute temperatures, T<0. We show theoretically that, by reversing the confining potential, stable superfluid condensates at finite momentum and T<0 can be created with low entropy production for attractive bosons. They may serve as “smoking gun” signatures of equilibrated T<0. For fermions, we analyze the time scales needed to equilibrate to T<0. For moderate interactions, the equilibration time is proportional to the square of the radius of the cloud and grows with increasing interaction strengths as atoms and energy are transported by diffusive processes.

  12. Absolute rate constant of the reaction between chlorine /2P/ atoms and hydrogen peroxide from 298 to 424 K

    NASA Technical Reports Server (NTRS)

    Keyser, L. F.

    1980-01-01

    The absolute rate constant of the reaction between chlorine (2P) atoms and hydrogen peroxide was determined from 298 to 424 K, using the discharge flow resonance fluorescence technique. Pseudo-first-order conditions were used with hydrogen peroxide in large excess. A fast flow-sampling procedure limited hydrogen peroxide decomposition to less than 5% over the temperature range studied. At 298 K, the rate constant is (4.1 plus or minus 0.2) x 10 to the minus 13th cu cm/molecule-sec.

  13. Easy Absolute Values? Absolutely

    ERIC Educational Resources Information Center

    Taylor, Sharon E.; Mittag, Kathleen Cage

    2015-01-01

    The authors teach a problem-solving course for preservice middle-grades education majors that includes concepts dealing with absolute-value computations, equations, and inequalities. Many of these students like mathematics and plan to teach it, so they are adept at symbolic manipulations. Getting them to think differently about a concept that they…

  14. Implications of an absolute simultaneity theory for cosmology and universe acceleration.

    PubMed

    Kipreos, Edward T

    2014-01-01

    An alternate Lorentz transformation, Absolute Lorentz Transformation (ALT), has similar kinematics to special relativity yet maintains absolute simultaneity in the context of a preferred reference frame. In this study, it is shown that ALT is compatible with current experiments to test Lorentz invariance only if the proposed preferred reference frame is locally equivalent to the Earth-centered non-rotating inertial reference frame, with the inference that in an ALT framework, preferred reference frames are associated with centers of gravitational mass. Applying this theoretical framework to cosmological data produces a scenario of universal time contraction in the past. In this scenario, past time contraction would be associated with increased levels of blueshifted light emissions from cosmological objects when viewed from our current perspective. The observation that distant Type Ia supernovae are dimmer than predicted by linear Hubble expansion currently provides the most direct evidence for an accelerating universe. Adjusting for the effects of time contraction on a redshift-distance modulus diagram produces a linear distribution of supernovae over the full redshift spectrum that is consistent with a non-accelerating universe. PMID:25536116

  15. The visual surface brightness relation and the absolute magnitudes of RR Lyrae stars. I - Theory

    NASA Technical Reports Server (NTRS)

    Manduca, A.; Bell, R. A.

    1981-01-01

    A theoretical relation analogous to the Barnes-Evans relation between stellar surface brightness and V-R color is derived which is applicable to the temperatures and gravities appropriate to RR Lyrae stars. Values of the visual surface brightness and V-R colors are calculated for model stellar atmospheres with effective temperatures between 6000 and 8000 K, log surface gravities from 2.2 to 3.5, and A/H anbundance ratios from -0.5 to -3.0. The resulting relation is found to be in reasonable agreement with the empirical relation of Barnes, Evans and Moffet (1978), with, however, small sensitivities to gravity and metal abundance. The relation may be used to derive stellar angular diameters from (V,R) photometry and to derive radii, distances, and absolute magnitudes for variable stars when combined with a radial velocity curve. The accuracies of the radii and distances (within 10%) and absolute magnitudes (within 0.25 magnitudes) compare favorably with those of the Baade-Wesselink method currently in use.

  16. Implications of an Absolute Simultaneity Theory for Cosmology and Universe Acceleration

    PubMed Central

    Kipreos, Edward T.

    2014-01-01

    An alternate Lorentz transformation, Absolute Lorentz Transformation (ALT), has similar kinematics to special relativity yet maintains absolute simultaneity in the context of a preferred reference frame. In this study, it is shown that ALT is compatible with current experiments to test Lorentz invariance only if the proposed preferred reference frame is locally equivalent to the Earth-centered non-rotating inertial reference frame, with the inference that in an ALT framework, preferred reference frames are associated with centers of gravitational mass. Applying this theoretical framework to cosmological data produces a scenario of universal time contraction in the past. In this scenario, past time contraction would be associated with increased levels of blueshifted light emissions from cosmological objects when viewed from our current perspective. The observation that distant Type Ia supernovae are dimmer than predicted by linear Hubble expansion currently provides the most direct evidence for an accelerating universe. Adjusting for the effects of time contraction on a redshift–distance modulus diagram produces a linear distribution of supernovae over the full redshift spectrum that is consistent with a non-accelerating universe. PMID:25536116

  17. Implications of an absolute simultaneity theory for cosmology and universe acceleration.

    PubMed

    Kipreos, Edward T

    2014-01-01

    An alternate Lorentz transformation, Absolute Lorentz Transformation (ALT), has similar kinematics to special relativity yet maintains absolute simultaneity in the context of a preferred reference frame. In this study, it is shown that ALT is compatible with current experiments to test Lorentz invariance only if the proposed preferred reference frame is locally equivalent to the Earth-centered non-rotating inertial reference frame, with the inference that in an ALT framework, preferred reference frames are associated with centers of gravitational mass. Applying this theoretical framework to cosmological data produces a scenario of universal time contraction in the past. In this scenario, past time contraction would be associated with increased levels of blueshifted light emissions from cosmological objects when viewed from our current perspective. The observation that distant Type Ia supernovae are dimmer than predicted by linear Hubble expansion currently provides the most direct evidence for an accelerating universe. Adjusting for the effects of time contraction on a redshift-distance modulus diagram produces a linear distribution of supernovae over the full redshift spectrum that is consistent with a non-accelerating universe.

  18. Experimental verification of corrosive vapor deposition rate theory in high velocity burner rigs

    NASA Technical Reports Server (NTRS)

    Gokoglu, S. A.; Santoro, G. J.

    1986-01-01

    The ability to predict deposition rates is required to facilitate modelling of high temperature corrosion by fused salt condensates in turbine engines. A corrosive salt vapor deposition theory based on multicomponent chemically frozen boundary layers (CFBL) has been successfully verified by high velocity burner rig experiments. The experiments involved internally air-impingement cooled, both rotating full and stationary segmented cylindrical collectors located in the crossflow of sodium-seeded combustion gases. Excellent agreement is found between the CFBL theory an the experimental measurements for both the absolute amounts of Na2SO4 deposition rates and the behavior of deposition rate with respect to collector temperature, mass flowrate (velocity) and Na concentration.

  19. Pressure dependence of the absolute rate constant for the reaction OH + C2H2 from 228 to 413 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Payne, W. A.; Stief, L. J.; Borkowski, R. P.

    1980-01-01

    The pressure dependence of the absolute rate constant for the reaction of the hydroxyl radical with acetylene, important in both atmospheric and combustion chemistry, is determined for temperatures between 228 and 413 K. The flash photolysis-resonance fluorescence technique was employed at five temperatures over wide ranges of pressure and acetylene concentrations, with the OH produced by water photolysis and hydroxyl resonance fluorescent photons measured by multiscaling techniques. Results indicate that, except at the lowest temperature, the bimolecular rate constant for the reaction depends strongly on total pressure, with the pressure effect becoming more pronounced with increasing temperature. At limiting high pressures, the rate constant is found to be equal to 6.83 + or - 1.19 x 10 to the -12th exp (-646 + or - 47/T) cu cm/molecule per sec, where T is the temperature. Results thus demonstrate the importance of environmental conditions in theoretical studies of atmospheric and combustion product compositions

  20. Absolute rate parameters for the reaction of ground state atomic oxygen with carbonyl sulfide

    NASA Technical Reports Server (NTRS)

    Klemm, R. B.; Stief, L. J.

    1974-01-01

    The rate parameters for the reaction of O(3P) with carbonyl sulfide, O(3P) + OCS yields CO + SO, have been determined directly by monitoring O(3P) using the flash photolysis-resonance fluorescence technique. The value for reaction rate was measured over a temperature range of 263-502 K and the data were fitted to an Arrhenius expression with good linearity. A comparison of the present results with those from previous studies of this reaction is also presented.

  1. Noninvasive optical quantification of absolute blood flow, blood oxygenation, and oxygen consumption rate in exercising skeletal muscle

    NASA Astrophysics Data System (ADS)

    Gurley, Katelyn; Shang, Yu; Yu, Guoqiang

    2012-07-01

    This study investigates a method using novel hybrid diffuse optical spectroscopies [near-infrared spectroscopy (NIRS) and diffuse correlation spectroscopy (DCS)] to obtain continuous, noninvasive measurement of absolute blood flow (BF), blood oxygenation, and oxygen consumption rate (\\Vdot O2) in exercising skeletal muscle. Healthy subjects (n=9) performed a handgrip exercise to increase BF and \\Vdot O2 in forearm flexor muscles, while a hybrid optical probe on the skin surface directly monitored oxy-, deoxy-, and total hemoglobin concentrations ([HbO2], [Hb], and THC), tissue oxygen saturation (StO2), relative BF (rBF), and relative oxygen consumption rate (r\\Vdot O2). The rBF and r\\Vdot O2 signals were calibrated with absolute baseline BF and \\Vdot O2 obtained through venous and arterial occlusions, respectively. Known problems with muscle-fiber motion artifacts in optical measurements during exercise were mitigated using a novel gating algorithm that determined muscle contraction status based on control signals from a dynamometer. Results were consistent with previous findings in the literature. This study supports the application of NIRS/DCS technology to quantitatively evaluate hemodynamic and metabolic parameters in exercising skeletal muscle and holds promise for improving diagnosis and treatment evaluation for patients suffering from diseases affecting skeletal muscle and advancing fundamental understanding of muscle and exercise physiology.

  2. Absolute rate coefficients for photorecombination of beryllium-like and boron-like silicon ions

    NASA Astrophysics Data System (ADS)

    Bernhardt, D.; Becker, A.; Brandau, C.; Grieser, M.; Hahn, M.; Krantz, C.; Lestinsky, M.; Novotný, O.; Repnow, R.; Savin, D. W.; Spruck, K.; Wolf, A.; Müller, A.; Schippers, S.

    2016-04-01

    We report measured rate coefficients for electron-ion recombination of Si10+ forming Si9+ and of Si9+ forming Si8+, respectively. The measurements were performed using the electron-ion merged-beams technique at a heavy-ion storage ring. Electron-ion collision energies ranged from 0 to 50 eV for Si9+ and from 0 to 2000 eV for Si10+, thus, extending previous measurements for Si10+ (Orban et al 2010 Astrophys. J. 721 1603) to much higher energies. Experimentally derived rate coefficients for the recombination of Si9+ and Si10+ ions in a plasma are presented along with simple parameterizations. These rate coefficients are useful for the modeling of the charge balance of silicon in photoionized plasmas (Si9+ and Si10+) and in collisionally ionized plasmas (Si10+ only). In the corresponding temperature ranges, the experimentally derived rate coefficients agree with the latest corresponding theoretical results within the experimental uncertainties.

  3. A Simple Apparatus for Screening Absolute Photosynthetic Rates of Single Algal Colonies in an Anoxic Atmosphere 1

    PubMed Central

    Graves, D. A.; Greenbaum, E.

    1989-01-01

    Photosynthetically generated O2 was measured from single algal colonies in a He atmosphere, using an enhanced Hersch galvanic cell. The enhancement consisted of using ultrapure potassium hydroxide as the electrolyte and ultrapure lead as the anode. The galvanic cell was placed in a regulated helium-flow system containing a reaction cuvette with the colonies and an electrolysis cell for calibration. Colonies were individually irradiated using a He-Ne laser. Data collection and laser positioning for colony irradiation were microcomputer controlled. This assay system was capable of detecting O2 production rates of 500 femtomoles per second with a signal to noise ratio of 2, a level of sensitivity that permitted the detection of photoevolved O2 from single algal colonies. This capability provides, for the first time, an approach for quantitatively measuring the absolute rate of photosynthetic O2 evolution from a single algal colony. PMID:16666743

  4. Absolute depth-dose-rate measurements for an {sup 192}Ir HDR brachytherapy source in water using MOSFET detectors

    SciTech Connect

    Zilio, Valery Olivier; Joneja, Om Parkash; Popowski, Youri; Rosenfeld, Anatoly; Chawla, Rakesh

    2006-06-15

    Reported MOSFET measurements concern mostly external radiotherapy and in vivo dosimetry. In this paper, we apply the technique for absolute dosimetry in the context of HDR brachytherapy using an {sup 192}Ir source. Measured radial dose rate distributions in water for different planes perpendicular to the source axis are presented and special attention is paid to the calibration of the R and K type detectors, and to the determination of appropriate correction factors for the sensitivity variation with the increase of the threshold voltage and the energy dependence. The experimental results are compared with Monte Carlo simulated dose rate distributions. The experimental results show a good agreement with the Monte Carlo simulations: the discrepancy between experimental and Monte Carlo results being within 5% for 82% of the points and within 10% for 95% of the points. Moreover, all points except two are found to lie within the experimental uncertainties, confirming thereby the quality of the results obtained.

  5. Absolute rate of the reaction of bromine atoms with ozone from 200-360 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Lee, J. H.; Payne, W. A.; Stief, L. J.

    1978-01-01

    The rate constant for the reaction Br + O3 yields BrO + O2 was measured from 200 to 360 K by the technique of flash photolysis coupled to time resolved detection of bromine atoms by resonance fluorescence (FP-RF). Br atoms were produced by the flash photolysis of CH3Br at lambda 165nm.O3 was monitored continuously under reaction conditions by absorption at 253.7 nm. At each of five temperatures the results were independent of substantial variations in O3, total pressure and limited variations in flash intensity. The measured rate constants obeyed the Arrhenius expression, where the error quoted is two standard deviations. Results are compared with previous determinations which employed the discharge flow-mass spectrometric technique.

  6. Absolute rate of the reaction of bromine atoms with ozone from 200 to 360 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Lee, J. H.; Payne, W. A.; Stief, L. J.

    1978-01-01

    The rate constant for the reaction Br + O3 yields BrO + O2 has been measured from 200 to 360 K by the technique of flash photolysis coupled to time resolved detection of bromine atoms by resonance fluorescence (FP-RF). Br atoms were produced by the flash photolysis of CH3Br at a wavelength of 165 nm. O3 concentration was monitored continuously under reaction conditions by absorption at 253.7 nm. At each of five temperatures the results were independent of substantial variations in O3 concentration, total pressure (Ar), and limited variations in flash intensity (i.e., initial Br concentration). The measured rate constants obey the Arrhenius expression, k = (7.74 plus or minus 0.50) x 10 to the -12th exp(-603 plus or minus 16/T) cu cm/molecule/sec, where the error quoted is two standard deviations.

  7. Absolute rate constants for the reaction of atomic hydrogen with ketene from 298 to 500 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Payne, W. A.; Stief, L. J.

    1979-01-01

    Rate constants for the reaction of atomic hydrogen with ketene have been measured at room temperature by two techniques, flash photolysis-resonance fluorescence and discharge flow-resonance fluorescence. The measured values are (6.19 + or - 1.68) x 10 to the -14th and (7.3 + or - 1.3) x 10 to the -14th cu cm/molecule/s, respectively. In addition, rate constants as a function of temperature have been measured over the range 298-500 K using the FP-RF technique. The results are best represented by the Arrhenius expression k = (1.88 + or - 1.12) x 10 to the -11th exp(-1725 + or - 190/T) cu cm/molecule/s, where the indicated errors are at the two standard deviation level.

  8. Wealth inhomogeneity applied to crash rate theory.

    PubMed

    Shuler, Robert L

    2015-11-01

    A crash rate theory based on corporate economic utility maximization is applied to individual behavior in U.S. and German motorway death rates, by using wealth inhomogeneity data in ten-percentile bins to account for variations of utility maximization in the population. Germany and the U.S. have similar median wealth figures, a well-known indicator of accident risk, but different motorway death rates. It is found that inhomogeneity in roughly the 10(th) to 30(th) percentile, not revealed by popular measures such as the Gini index which focus on differences at the higher percentiles, provides a satisfactory explanation of the data. The inhomogeneity analysis reduces data disparity from a factor of 2.88 to 1.75 as compared with median wealth assumed homogeneity, and further to 1.09 with average wealth assumed homogeneity. The first reduction from 2.88 to 1.75 is attributable to inequality at lower percentiles and suggests it may be as important in indicating socioeconomic risk as extremes in the upper percentile ranges, and that therefore the U.S. socioeconomic risk may be higher than generally realized. PMID:27441226

  9. Wealth inhomogeneity applied to crash rate theory.

    PubMed

    Shuler, Robert L

    2015-11-01

    A crash rate theory based on corporate economic utility maximization is applied to individual behavior in U.S. and German motorway death rates, by using wealth inhomogeneity data in ten-percentile bins to account for variations of utility maximization in the population. Germany and the U.S. have similar median wealth figures, a well-known indicator of accident risk, but different motorway death rates. It is found that inhomogeneity in roughly the 10(th) to 30(th) percentile, not revealed by popular measures such as the Gini index which focus on differences at the higher percentiles, provides a satisfactory explanation of the data. The inhomogeneity analysis reduces data disparity from a factor of 2.88 to 1.75 as compared with median wealth assumed homogeneity, and further to 1.09 with average wealth assumed homogeneity. The first reduction from 2.88 to 1.75 is attributable to inequality at lower percentiles and suggests it may be as important in indicating socioeconomic risk as extremes in the upper percentile ranges, and that therefore the U.S. socioeconomic risk may be higher than generally realized.

  10. Absolute vertical uplift rates in western Washington inferred from historical leveling and tide gauge data

    NASA Astrophysics Data System (ADS)

    Alba, S.; Weldon, R.; Livelybrooks, D.; Schmidt, D. A.

    2009-12-01

    We present a new uplift rate map for western Washington based on reanalysis of water levels from the 12 major NOAA tide gauges, three new water level series that combine NOAA’s historical records and our temporarily deployed gauges (at Cape Disappointment, Olympia, and Point Grenville), and reinterpretation of repeated 1st and 2nd order NGS leveling lines. As previous studies have concluded, EW gradients in the vertical deformation field are consistent with strain accumulation across the Cascadia subduction zone interface; however, uplift rates are highly variable along the outer Washington coast, ranging from approximately +4 to -2 mm/yr, suggesting significant changes in the depth of locking along strike. Improved measure of uplift rates from water level changes are accomplished by aggressively editing available hourly data and applying a transfer function approach to better remove tides, ocean and atmospheric “noise”. The analysis allows uplift to be determined from shorter and less complete records and in some cases permits the identification of transients like slow earthquakes. As we found in a similar study in Oregon (Burgette et al, JGR, 2009), releveled lines need to be anchored to as many tide gauges as possible to remove systematic error, and repeated releveling (especially of tidal benchmarks) is required to identify the few stable benchmarks that link water levels at the tidal stations to each other through time and to the regional NGS leveling lines. A portion of the westernmost Washington coast, from an approximate latitude of 47.4 to 47.9 N, is subsiding, and tilts suggest that the peak in uplift rate is well onshore, indicating that the locked zone extends onshore, in contrast to most previous studies. To the north, the peak in uplift approximately passes through Neah Bay (the NW corner of the Olympic Peninsula, lat. 48.3 N), and to the south the peak is offshore from Grays Harbor (lat. 47 N) to the Columbia River (lat. 46.2 N). A north

  11. Absolute rate constant determinations for the deactivation of O/1D/ by time resolved decay of O/1D/ yields O/3P/ emission

    NASA Technical Reports Server (NTRS)

    Davidson, J. A.; Sadowski, C. M.; Schiff, H. I.; Howard, C. J.; Schmeltekopf, A. L.; Jennings, D. A.; Streit, G. E.

    1976-01-01

    Absolute rate constants for the deactivation of O(1D) atoms by some atmospheric gases have been determined by observing the time-resolved emission of O(1D) at 630 nm. O(1D) atoms were produced by the dissociation of ozone via repetitive laser pulses at 266 nm. Absolute rate constants for the relaxation of O(1D) at 298 K are reported for N2, O2, CO2, O3, H2, D2, CH4, HCl, NH3, H2O, N2O, and Ne. The results obtained are compared with previous relative and absolute measurements reported in the literature.

  12. A Theory of Continuous Rates and Applications to the Theory of Growth and Obsolescence Rates.

    ERIC Educational Resources Information Center

    Egghe, L.

    1994-01-01

    Discusses the measurement of the growth and obsolescence of literature and shows that growth and obsolescence can be studied by the same mathematical techniques. A combined growth-obsolescence theory is presented that can be measured with continuous rates, and three earlier papers are reconsidered and results are reproven. (Contains 18…

  13. Temperature and pressure dependence of the absolute rate constant for the reactions of NH2 radicals with acetylene and ethylene

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Nava, D. F.; Brobst, W. D.; Stief, L. J.

    1984-01-01

    The absolute rate constants for the reaction between the NH2 free radical and acetylene and ethylene is measured experimentally using a flash photolysis technique. The constant is considered to be a function of temperature and pressure. At each temperature level of the experiment, the observed pseudo-first-order rate constants were assumed to be independent of flash intensity. The results of the experiment indicate that the bimolecular rate constant for the NH2 + C2H2 reaction increases with pressure at 373 K and 459 K but not at lower temperatures. Results near the pressure limit conform to an Arrhenius expression of 1.11 (+ or -) 0.36 x 10 to the -13th over the temperature range from 241 to 459 K. For the reaction NH2 + C2H4, a smaller rate of increase in the bimolecular rate constant was observed over the temperature range 250-465 K. The implications of these results for current theoretical models of NH2 + C2H2 (or H4) reactions in the atmospheres of Jupiter and Saturn are discussed.

  14. Solid-state track recorder dosimetry device to measure absolute reaction rates and neutron fluence as a function of time

    DOEpatents

    Gold, Raymond; Roberts, James H.

    1989-01-01

    A solid state track recording type dosimeter is disclosed to measure the time dependence of the absolute fission rates of nuclides or neutron fluence over a period of time. In a primary species an inner recording drum is rotatably contained within an exterior housing drum that defines a series of collimating slit apertures overlying windows defined in the stationary drum through which radiation can enter. Film type solid state track recorders are positioned circumferentially about the surface of the internal recording drum to record such radiation or its secondary products during relative rotation of the two elements. In another species both the recording element and the aperture element assume the configuration of adjacent disks. Based on slit size of apertures and relative rotational velocity of the inner drum, radiation parameters within a test area may be measured as a function of time and spectra deduced therefrom.

  15. Absolute Summ

    NASA Astrophysics Data System (ADS)

    Phillips, Alfred, Jr.

    Summ means the entirety of the multiverse. It seems clear, from the inflation theories of A. Guth and others, that the creation of many universes is plausible. We argue that Absolute cosmological ideas, not unlike those of I. Newton, may be consistent with dynamic multiverse creations. As suggested in W. Heisenberg's uncertainty principle, and with the Anthropic Principle defended by S. Hawking, et al., human consciousness, buttressed by findings of neuroscience, may have to be considered in our models. Predictability, as A. Einstein realized with Invariants and General Relativity, may be required for new ideas to be part of physics. We present here a two postulate model geared to an Absolute Summ. The seedbed of this work is part of Akhnaton's philosophy (see S. Freud, Moses and Monotheism). Most important, however, is that the structure of human consciousness, manifest in Kenya's Rift Valley 200,000 years ago as Homo sapiens, who were the culmination of the six million year co-creation process of Hominins and Nature in Africa, allows us to do the physics that we do. .

  16. Indirectly estimated absolute lung cancer mortality rates by smoking status and histological type based on a systematic review

    PubMed Central

    2013-01-01

    Background National smoking-specific lung cancer mortality rates are unavailable, and studies presenting estimates are limited, particularly by histology. This hinders interpretation. We attempted to rectify this by deriving estimates indirectly, combining data from national rates and epidemiological studies. Methods We estimated study-specific absolute mortality rates and variances by histology and smoking habit (never/ever/current/former) based on relative risk estimates derived from studies published in the 20th century, coupled with WHO mortality data for age 70–74 for the relevant country and period. Studies with populations grossly unrepresentative nationally were excluded. 70–74 was chosen based on analyses of large cohort studies presenting rates by smoking and age. Variations by sex, period and region were assessed by meta-analysis and meta-regression. Results 148 studies provided estimates (Europe 59, America 54, China 22, other Asia 13), 54 providing estimates by histology (squamous cell carcinoma, adenocarcinoma). For all smoking habits and lung cancer types, mortality rates were higher in males, the excess less evident for never smokers. Never smoker rates were clearly highest in China, and showed some increasing time trend, particularly for adenocarcinoma. Ever smoker rates were higher in parts of Europe and America than in China, with the time trend very clear, especially for adenocarcinoma. Variations by time trend and continent were clear for current smokers (rates being higher in Europe and America than Asia), but less clear for former smokers. Models involving continent and trend explained much variability, but non-linearity was sometimes seen (with rates lower in 1991–99 than 1981–90), and there was regional variation within continent (with rates in Europe often high in UK and low in Scandinavia, and higher in North than South America). Conclusions The indirect method may be questioned, because of variations in definition of smoking and

  17. A rare gas optics-free absolute photon flux and energy analyzer to provide absolute photoionization rates of inflowing interstellar neutrals

    NASA Technical Reports Server (NTRS)

    Judge, Darrell L.

    1994-01-01

    A prototype spectrometer has been developed for space applications requiring long term absolute EUV photon flux measurements. The energy spectrum of the incoming photons is transformed directly into an electron energy spectrum by taking advantage of the photoelectric effect in one of several rare gases at low pressures. Using an electron energy spectrometer, followed by an electron multiplier detector, pulses due to individual electrons are counted. The overall efficiency of this process can be made essentially independent of gain drifts in the signal path, and the secular degradation of optical components which is often a problem in other techniques is avoided. A very important feature of this approach is its freedom from the problem of overlapping spectral orders that plagues grating EUV spectrometers. An instrument with these features has not been flown before, but is essential to further advances in our understanding of solar EUV flux dynamics, and the coupled dynamics of terrestrial and planetary atmospheres. The detailed characteristics of this optics-free spectrometer are presented in the publications section.

  18. Pressure dependence of the absolute rate constant for the reaction OH + C2H2 from 228 to 413K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Nava, D. F.; Borokowski, R. P.; Payne, W. A.; Stief, L. J.

    1980-01-01

    The pressure dependence of absolute rate constants for the reaction of OH + C2H2 yields products has been examined at five temperatures ranging from 228 to 413 K. The experimental techniques which was used is flash photolysis-resonance fluoresence. OH was produced by water photolysis and hydroxyl resonance fluorescent photons were measured by multiscaling techniques. The results indicate that the low pressure bimolecular rate constant is 4 x 10 the the minus 13th power cu cm molecule (-1) s(-1) over the temperature range studied. A substantial increase in the bimolecular rate constant with an increase in pressure was observed at all temperatures except 228 K. This indicates the importance of initial adduct formation and subsequent stablization. The high pressure results are well represented by the Arrhenius expression (k sub bi) sub infinity = (6.83 + or - 1.19) x 10 to the minus 12th power exp(-646 + or - 47/T)cu cm molecule (-1) s(-1). The results are compared to previous investigated and are theoretically discussed. The implications of these results on modeling of terrestrial and planetary atmospheres and also in combustion chemistry are discussed.

  19. The reaction H + C4H2 - Absolute rate constant measurement and implication for atmospheric modeling of Titan

    NASA Technical Reports Server (NTRS)

    Nava, D. F.; Mitchell, M. B.; Stief, L. J.

    1986-01-01

    The absolute rate constant for the reaction H + C4H2 has been measured over the temperature (T) interval 210-423 K, using the technique of flash photolysis-resonance fluorescence. At each of the five temperatures employed, the results were independent of variations in C4H2 concentration, total pressure of Ar or N2, and flash intensity (i.e., the initial H concentration). The rate constant, k, was found to be equal to 1.39 x 10 to the -10th exp (-1184/T) cu cm/s, with an error of one standard deviation. The Arrhenius parameters at the high pressure limit determined here for the H + C4H2 reaction are consistent with those for the corresponding reactions of H with C2H2 and C3H4. Implications of the kinetic carbon chemistry results, particularly those at low temperature, are considered for models of the atmospheric carbon chemistry of Titan. The rate of this reaction, relative to that of the analogous, but slower, reaction of H + C2H2, appears to make H + C4H2 a very feasible reaction pathway for effective conversion of H atoms to molecular hydrogen in the stratosphere of Titan.

  20. The behavioral theory of timing: Reinforcer rate determines pacemaker rate.

    PubMed

    Bizo, L A; White, K G

    1994-01-01

    In the behavioral theory of timing, pulses from a hypothetical Poisson pacemaker produce transitions between states that are correlated with adjunctive behavior. The adjunctive behavior serves as a discriminative stimulus for temporal discriminations. The present experiments tested the assumption that the average interpulse time of the pacemaker is proportional to interreinforcer interval. Responses on a left key were reinforced at variable intervals for the first 25 s since the beginning of a 50-s trial, and right-key responses were reinforced at variable intervals during the second 25 s. Psychometric functions relating proportion of right-key responses to time since trial onset, in 5-s intervals across the 50-s trial, were sigmoidal in form. Average interpulse times derived by fitting quantitative predictions from the behavioral theory of timing to obtained psychometric functions decreased when the interreinforcer interval was decreased and increased when the interreinforcer interval was increased, as predicted by the theory. In a second experiment, average interpulse times estimated from trials without reinforcement followed global changes in interreinforcer interval, as predicted by the theory. Changes in temporal discrimination as a function of interreinforcer interval were therefore not influenced by the discrimination of reinforcer occurrence. The present data support the assumption of the behavioral theory of timing that interpulse time is determined by interreinforcer interval.

  1. Continuous, online measurement of the absolute plasma refill rate during hemodialysis using feedback regulated ultrafiltration: preliminary results.

    PubMed

    Brummelhuis, Walter J; van Schelven, Leonard J; Boer, Walther H

    2008-01-01

    Methods to continuously measure absolute refill during dialysis are not available. It would be useful to have such a method because it would allow investigating the mechanism of refill the effect of interventions. We designed a feedback algorithm that adjusts ultrafiltration rate (QUF) according to hemoglobin (Hb) concentration changes in such a way that relative blood volume (BV) remains constant within a narrow target range. In this situation, the generated QUF quantitatively reflects refill. Refill patterns were studied in five hypotension prone patients. In addition, on separate occasions, we studied the effect of antiembolism stockings (AES) and infusion of hydroxy-ethylated starch (HAES) on refill in these patients. Refill during the first hour fell significantly from 21 +/- 3 ml/min to 9 +/- 2 ml/min (p < 0.05). In the second hour, refill decreased further and became zero in four out of five patients. Neither AES nor HAES measurably affected refill. The marked and rapid fall in refill in the early stages of dialysis suggests untimely depletion of the interstitial compartment and underestimation of dry weight. We propose that continuous, online measurement of refill patterns may be of value for accurate estimation of dry weight in dialysis patients. PMID:18204322

  2. Multidimensional reaction rate theory with anisotropic diffusion.

    PubMed

    Berezhkovskii, Alexander M; Szabo, Attila; Greives, Nicholas; Zhou, Huan-Xiang

    2014-11-28

    An analytical expression is derived for the rate constant that describes diffusive transitions between two deep wells of a multidimensional potential. The expression, in contrast to the Kramers-Langer formula for the rate constant, is valid even when the diffusion is highly anisotropic. Our approach is based on a variational principle for the reactive flux and uses a trial function for the splitting probability or commitor. The theoretical result is validated by Brownian dynamics simulations.

  3. An energy decomposition analysis for second-order Møller–Plesset perturbation theory based on absolutely localized molecular orbitals

    SciTech Connect

    Thirman, Jonathan Head-Gordon, Martin

    2015-08-28

    An energy decomposition analysis (EDA) of intermolecular interactions is proposed for second-order Møller–Plesset perturbation theory (MP2) based on absolutely localized molecular orbitals (ALMOs), as an extension to a previous ALMO-based EDA for self-consistent field methods. It decomposes the canonical MP2 binding energy by dividing the double excitations that contribute to the MP2 wave function into classes based on how the excitations involve different molecules. The MP2 contribution to the binding energy is decomposed into four components: frozen interaction, polarization, charge transfer, and dispersion. Charge transfer is defined by excitations that change the number of electrons on a molecule, dispersion by intermolecular excitations that do not transfer charge, and polarization and frozen interactions by intra-molecular excitations. The final two are separated by evaluations of the frozen, isolated wave functions in the presence of the other molecules, with adjustments for orbital response. Unlike previous EDAs for electron correlation methods, this one includes components for the electrostatics, which is vital as adjustment to the electrostatic behavior of the system is in some cases the dominant effect of the treatment of electron correlation. The proposed EDA is then applied to a variety of different systems to demonstrate that all proposed components behave correctly. This includes systems with one molecule and an external electric perturbation to test the separation between polarization and frozen interactions and various bimolecular systems in the equilibrium range and beyond to test the rest of the EDA. We find that it performs well on these tests. We then apply the EDA to a halogen bonded system to investigate the nature of the halogen bond.

  4. An energy decomposition analysis for second-order Møller-Plesset perturbation theory based on absolutely localized molecular orbitals.

    PubMed

    Thirman, Jonathan; Head-Gordon, Martin

    2015-08-28

    An energy decomposition analysis (EDA) of intermolecular interactions is proposed for second-order Møller-Plesset perturbation theory (MP2) based on absolutely localized molecular orbitals (ALMOs), as an extension to a previous ALMO-based EDA for self-consistent field methods. It decomposes the canonical MP2 binding energy by dividing the double excitations that contribute to the MP2 wave function into classes based on how the excitations involve different molecules. The MP2 contribution to the binding energy is decomposed into four components: frozen interaction, polarization, charge transfer, and dispersion. Charge transfer is defined by excitations that change the number of electrons on a molecule, dispersion by intermolecular excitations that do not transfer charge, and polarization and frozen interactions by intra-molecular excitations. The final two are separated by evaluations of the frozen, isolated wave functions in the presence of the other molecules, with adjustments for orbital response. Unlike previous EDAs for electron correlation methods, this one includes components for the electrostatics, which is vital as adjustment to the electrostatic behavior of the system is in some cases the dominant effect of the treatment of electron correlation. The proposed EDA is then applied to a variety of different systems to demonstrate that all proposed components behave correctly. This includes systems with one molecule and an external electric perturbation to test the separation between polarization and frozen interactions and various bimolecular systems in the equilibrium range and beyond to test the rest of the EDA. We find that it performs well on these tests. We then apply the EDA to a halogen bonded system to investigate the nature of the halogen bond. PMID:26328835

  5. A theory of exchange rate modeling

    SciTech Connect

    Alekseev, A.A.

    1995-09-01

    The article examines exchange rate modeling for two cases: (a) when the trading partners have mutual interests and (b) when the trading partners have antogonistic interests. Exchange rates in world markets are determined by supply and demand for the currency of each state, and states may control the exchange rate of their currency by changing the interest rate, the volume of credit, and product prices in both domestic and export markets. Abstracting from issues of production and technology in different countries and also ignoring various trade, institutional, and other barriers, we consider in this article only the effect of export and import prices on the exchange rate, we propose a new criterion of external trade activity: each trading partner earns a profit which is proportional to the volume of benefits enjoyed by the other partner. We consider a trading cycle that consists of four stages: (a) purchase of goods in the domestic market with the object of selling them abroad; (b) sale of the goods in foreign markets; (c) purchase of goods abroad with the object of selling them in the domestic market; (d) sale of the goods domestically.

  6. Comparison of Hydrogen Atom Abstraction Rates of Terminal and Bridging Hydrides in Triosmium Clusters: Absolute Abstraction Rate Constants for Benzyl Radical

    SciTech Connect

    Franz, James A.; Kolwaite, Douglas S.; Linehan, John C.; Rosenberg, Edward

    2004-02-02

    Absolute rate constants for hydrogen atom abstraction by benzyl radical from Os3(m-H)2 (CO)9PPh3(1), Os3 (m-H)(H)(CO)10PPh3(2), Os3(m-H)(CO)9(m3-h2-C9H6N)(3), Os3(m-H)(CO)9(m-h2-C9H6N)PPh3 (5) and Os3(m-H)(CO)10(m-h2-C9H6N) (4) were determined in benzene by competition of the abstraction reaction with the self termination of benzyl radical. Thus, experimental values of kabs/kt1/2 were combined with rate constants for self-termination of benzyl radical in benzene from the expression ln(2kt/M-1s-1= 27.23 - 2952.4/RT), RT in cal/mol, to give absolute rate constants for abstraction, kabs: for Os3(m-H)2 (CO)9PPh3(1) in benzene, log (kabs/M-1s-1)= (8.86 .20) - (6.90 .31)/q; for Os3 (m-H)(H)(CO)(10PPh3) (2) log (kabs/M-1s-1)= (8.15 .49) - (4.41 .72)/q; for Os3(m-H)(CO)9(m3-h2-C9H6N) (3) log (kabs/M-1s-1)= (8.9 2) (8.8 3)/q; value for 4 and for Os3(m-H)(CO9)(m-h2-C9H6N)(PPh3) (5) log (kabs/M-1s-1)= (7.0 .38) - (4.15 .56)/q, q= 2.303RT kcal/mol. The terminal hydride on the Os3 c luster 2 is about 10 times more reactive than bridging hydride in 1. The results show that while m-H bridging retards the rate of hydrogen abstraction relative to terminal hydrogen, the bridging hydrogen remains appreciably reactive in the m-H form. In fact, the highest rate observed was for the bridging hydride in 4, Os3(m-H)(CO)10(m-h2-C9H6N). Temperature dependent kinetics for compound 4 were not determined because of significant CO loss above room temperature. However at 293 K the rate constant of hydrogen atom abstraction from this electron-rich cluster, 5 2 x 104 M-1s-1, is at least twice as fast as that for the terminal hydrogen atom cluster, 2, Os3 (m-H)(H)(CO)10PPh3, kabs (298 K)= 1.8 x 104 M-1s-1. The rate constants for hydrogen atom abstraction by benzyl radical from these osmium clusters increase with increasing electron density on the osmium cluster and decrease with increasing steric bulk of the ligands.

  7. Quantum and semiclassical theories of chemical reaction rates

    SciTech Connect

    Miller, W.H. |

    1995-09-01

    A rigorous quantum mechanical theory (and a semiclassical approximation thereto) is described for calculating chemical reaction rates ``directly``, i.e., without having to solve the complete state-to-state reactive scattering problem. The approach has many vestiges of transition state theory, for which it may be thought of as the rigorous generalization.

  8. Absolute rate coefficients over extended temperature ranges and mechanisms of the CF(X(2)Pi) reactions with F(2), Cl(2) and O(2).

    PubMed

    Vetters, B; Dils, B; Nguyen, T L; Vereecken, L; Carl, S A; Peeters, J

    2009-06-01

    The absolute rate coefficients of the reactions of the carbyne-radical CF(X(2)Pi, nu = 0) with O(2), F(2) and Cl(2) have been measured over extended temperature ranges, using pulsed-laser photodissociation-laser-induced fluorescence (PLP-LIF) techniques. The CF(X(2)Pi) radicals were generated by KrF excimer laser 2-photon photolysis of CF(2)Br(2) at 248 nm and the real-time exponential decays of CF(X(2)Pi, nu = 0) at varying coreactant concentrations, in large excess, were monitored by LIF (A(2)Sigma(+), nu' = 1 <-- X(2)Pi, nu'' = 0 transition). The experimental bimolecular rate coefficients of the CF(X(2)Pi) reactions with F(2) and Cl(2) can be described by simple Arrhenius expressions: k(F2)(295-408 K) = (1.5 +/- 0.2) x 10(-11) exp[-(370 +/- 40)K/T] cm(3) molecule(-1) s(-1); and k(Cl2)(295-392 K) = (6.1 +/- 2.1) x 10(-12) exp[+(280 +/- 120)K/T]. The k(F2)(T) and k(Cl2)(T) results can be rationalized in terms of direct halogen-atom abstraction reactions in which the radical character of CF dominates; a quantum chemical CBS-Q//BHandHLYP/6-311G(d,p) study confirms that the ground state reactants CF(X(2)Pi) + F(2)(X(1)Sigma) connect directly with the ground-state products CF(2)(X(1)A(1)) + F((2)P) via a nearly barrierless F-atom abstraction route. The rate coefficient of CF(X(2)Pi) + O(2) can be represented by a two-term Arrhenius expression: k(O2)(258-780 K) = 1.1 x 10(-11) exp(-850 K/T) + 2.3 x 10(-13) exp(500 K/T), with a standard deviation of 5%. The first term dominates at higher temperatures T and the second at lower T where a negative temperature dependence is observed (<290 K). Quantum chemical computations at the CBS-QB3 and CCSD(T)/aug-cc-pVDZ levels of theory show that the k(O2)(T) behaviour is consistent with a change of the dominant rate-determining mechanism from a carbyne-type insertion into the O-O bond at high T to a radical-radical combination at low T.

  9. Derivation of instanton rate theory from first principles

    NASA Astrophysics Data System (ADS)

    Richardson, Jeremy O.

    2016-03-01

    Instanton rate theory is used to study tunneling events in a wide range of systems including low-temperature chemical reactions. Despite many successful applications, the method has never been obtained from first principles, relying instead on the "Im F" premise. In this paper, the same expression for the rate of barrier penetration at finite temperature is rederived from quantum scattering theory [W. H. Miller, S. D. Schwartz, and J. W. Tromp, J. Chem. Phys. 79, 4889 (1983)] using a semiclassical Green's function formalism. This justifies the instanton approach and provides a route to deriving the rate of other processes.

  10. Controlling Rater Stringency Error in Clinical Performance Rating: Further Validation of a Performance Rating Theory.

    ERIC Educational Resources Information Center

    Cason, Gerald J.; And Others

    Prior research in a single clinical training setting has shown Cason and Cason's (1981) simplified model of their performance rating theory can improve rating reliability and validity through statistical control of rater stringency error. Here, the model was applied to clinical performance ratings of 14 cohorts (about 250 students and 200 raters)…

  11. Gauge Theory for the Rate Equations: Electrodynamics on a Network

    SciTech Connect

    Timm, Carsten

    2007-02-16

    Systems of coupled rate equations are ubiquitous in many areas of science, for example, in the description of electronic transport through quantum dots and molecules. They can be understood as a continuity equation expressing the conservation of probability. It is shown that this conservation law can be implemented by constructing a gauge theory akin to classical electrodynamics on the network of possible states described by the rate equations. The properties of this gauge theory are analyzed. It turns out that the network is maximally connected with respect to the electromagnetic fields even if the allowed transitions form a sparse network. It is found that the numbers of degrees of freedom of the electric and magnetic fields are equal. The results shed light on the structure of classical Abelian gauge theory beyond the particular motivation in terms of rate equations.

  12. Gauge theory for the rate equations: electrodynamics on a network.

    PubMed

    Timm, Carsten

    2007-02-16

    Systems of coupled rate equations are ubiquitous in many areas of science, for example, in the description of electronic transport through quantum dots and molecules. They can be understood as a continuity equation expressing the conservation of probability. It is shown that this conservation law can be implemented by constructing a gauge theory akin to classical electrodynamics on the network of possible states described by the rate equations. The properties of this gauge theory are analyzed. It turns out that the network is maximally connected with respect to the electromagnetic fields even if the allowed transitions form a sparse network. It is found that the numbers of degrees of freedom of the electric and magnetic fields are equal. The results shed light on the structure of classical Abelian gauge theory beyond the particular motivation in terms of rate equations.

  13. The Temperature Optima and Temperature Sensitivity of Soil Respiration Explained By Macromolecular Rate Theory (MMRT).

    NASA Astrophysics Data System (ADS)

    Schipper, L. A.; O'Neill, T.; Arcus, V. L.

    2014-12-01

    One of the most fundamental factors controlling all biological and chemical processes is changing temperature. Temperature dependence was originally described by the Arrhenius function in the 19th century. This function provides an excellent description of chemical reaction rates. However, the Arrhenius function does not predict the temperature optimum of biological rates that is clearly evident in laboratory and field measurements. Previously, the temperature optimum of biological processes has been ascribed to denaturation of enzymes but the observed temperature optima in soil are often rather modest, occurring at about 40-50°C and generally less than recognised temperatures for protein unfolding. We have modified the Arrhenius function incorporating a temperature-dependent activation energy derived directly from first principles from thermodynamics of macromolecules. MacroMolecular Rate Theory (MMRT) accounts for large changes in the flexibility of enzymes during catalysis that result in changes in heat capacity (∆C‡p) of the enzyme during the reaction. MMRT predicts an initially Arrhenius-like response followed by a temperature optimum without the need for enzyme denaturation (Hobbs et al., 2013. ACS Chemical Biology. 8: 2388-2393). Denaturation, of course, occurs at much higher temperatures. We have shown that MMRT fits biogeochemical data collected from laboratory and field studies with important implications for changes in absolute temperature sensitivity as temperature rises (Schipper et al., 2014. Global Change Biology). As the temperature optimum is approached the absolute temperature sensitivity of biological processes decreases to zero. Consequently, the absolute temperature-sensitivity of soil biological processes depends on both the change in ecosystem temperature and the temperature optimum of the biological process. MMRT also very clearly explains why Q10 values decline with increasing temperature more quickly than would be predicted from the

  14. Spectral Rate Theory for Two-State Kinetics.

    PubMed

    Prinz, Jan-Hendrik; Chodera, John D; Noé, Frank

    2014-02-01

    Classical rate theories often fail in cases where the observable(s) or order parameter(s) used is a poor reaction coordinate or the observed signal is deteriorated by noise, such that no clear separation between reactants and products is possible. Here, we present a general spectral two-state rate theory for ergodic dynamical systems in thermal equilibrium that explicitly takes into account how the system is observed. The theory allows the systematic estimation errors made by standard rate theories to be understood and quantified. We also elucidate the connection of spectral rate theory with the popular Markov state modeling approach for molecular simulation studies. An optimal rate estimator is formulated that gives robust and unbiased results even for poor reaction coordinates and can be applied to both computer simulations and single-molecule experiments. No definition of a dividing surface is required. Another result of the theory is a model-free definition of the reaction coordinate quality. The reaction coordinate quality can be bounded from below by the directly computable observation quality, thus providing a measure allowing the reaction coordinate quality to be optimized by tuning the experimental setup. Additionally, the respective partial probability distributions can be obtained for the reactant and product states along the observed order parameter, even when these strongly overlap. The effects of both filtering (averaging) and uncorrelated noise are also examined. The approach is demonstrated on numerical examples and experimental single-molecule force-probe data of the p5ab RNA hairpin and the apo-myoglobin protein at low pH, focusing here on the case of two-state kinetics.

  15. Spectral Rate Theory for Two-State Kinetics

    NASA Astrophysics Data System (ADS)

    Prinz, Jan-Hendrik; Chodera, John D.; Noé, Frank

    2014-02-01

    Classical rate theories often fail in cases where the observable(s) or order parameter(s) used is a poor reaction coordinate or the observed signal is deteriorated by noise, such that no clear separation between reactants and products is possible. Here, we present a general spectral two-state rate theory for ergodic dynamical systems in thermal equilibrium that explicitly takes into account how the system is observed. The theory allows the systematic estimation errors made by standard rate theories to be understood and quantified. We also elucidate the connection of spectral rate theory with the popular Markov state modeling approach for molecular simulation studies. An optimal rate estimator is formulated that gives robust and unbiased results even for poor reaction coordinates and can be applied to both computer simulations and single-molecule experiments. No definition of a dividing surface is required. Another result of the theory is a model-free definition of the reaction coordinate quality. The reaction coordinate quality can be bounded from below by the directly computable observation quality, thus providing a measure allowing the reaction coordinate quality to be optimized by tuning the experimental setup. Additionally, the respective partial probability distributions can be obtained for the reactant and product states along the observed order parameter, even when these strongly overlap. The effects of both filtering (averaging) and uncorrelated noise are also examined. The approach is demonstrated on numerical examples and experimental single-molecule force-probe data of the p5ab RNA hairpin and the apo-myoglobin protein at low pH, focusing here on the case of two-state kinetics.

  16. [On the economy of "wealth of people": demographic-political theories in the Austria of enlightened absolutism].

    PubMed

    Wichtl, T

    1985-01-01

    "This essay focuses on mercantilist theories and interpretations of demographic trends [in Austria] in the late 18th century." The writings of several mercantilist authors are summarized, and the influence of their views on population policy is discussed. It is noted that the official population policy, which aimed at fast population growth to strengthen the economy and increase the number of soldiers, was based on the mercantilist theory that greater population size means higher per capita incomes. (summary in ENG)

  17. [On the economy of "wealth of people": demographic-political theories in the Austria of enlightened absolutism].

    PubMed

    Wichtl, T

    1985-01-01

    "This essay focuses on mercantilist theories and interpretations of demographic trends [in Austria] in the late 18th century." The writings of several mercantilist authors are summarized, and the influence of their views on population policy is discussed. It is noted that the official population policy, which aimed at fast population growth to strengthen the economy and increase the number of soldiers, was based on the mercantilist theory that greater population size means higher per capita incomes. (summary in ENG) PMID:12280306

  18. Application of semiclassical methods to reaction rate theory

    SciTech Connect

    Hernandez, R.

    1993-11-01

    This work is concerned with the development of approximate methods to describe relatively large chemical systems. This effort has been divided into two primary directions: First, we have extended and applied a semiclassical transition state theory (SCTST) originally proposed by Miller to obtain microcanonical and canonical (thermal) rates for chemical reactions described by a nonseparable Hamiltonian, i.e. most reactions. Second, we have developed a method to describe the fluctuations of decay rates of individual energy states from the average RRKM rate in systems where the direct calculation of individual rates would be impossible. Combined with the semiclassical theory this latter effort has provided a direct comparison to the experimental results of Moore and coworkers. In SCTST, the Hamiltonian is expanded about the barrier and the ``good`` action-angle variables are obtained perturbatively; a WKB analysis of the effectively one-dimensional reactive direction then provides the transmission probabilities. The advantages of this local approximate treatment are that it includes tunneling effects and anharmonicity, and it systematically provides a multi-dimensional dividing surface in phase space. The SCTST thermal rate expression has been reformulated providing increased numerical efficiency (as compared to a naive Boltzmann average), an appealing link to conventional transition state theory (involving a ``prereactive`` partition function depending on the action of the reactive mode), and the ability to go beyond the perturbative approximation.

  19. Recombination of W19 + ions with electrons: Absolute rate coefficients from a storage-ring experiment and from theoretical calculations

    NASA Astrophysics Data System (ADS)

    Badnell, N. R.; Spruck, K.; Krantz, C.; Novotný, O.; Becker, A.; Bernhardt, D.; Grieser, M.; Hahn, M.; Repnow, R.; Savin, D. W.; Wolf, A.; Müller, A.; Schippers, S.

    2016-05-01

    Experimentally measured and theoretically calculated rate coefficients for the recombination of W19 +([Kr ] 4 d10 4 f9 ) ions with free electrons (forming W18 +) are presented. At low electron-ion collision energies, the merged-beam rate coefficient is dominated by strong, mutually overlapping, recombination resonances as already found previously for the neighboring charge-state ions W18 + and W20 +. In the temperature range where W19 + is expected to form in a collisionally ionized plasma, the experimentally derived recombination rate coefficient deviates by up to a factor of about 20 from the theoretical rate coefficient obtained from the Atomic Data and Analysis Structure database. The present calculations, which employ a Breit-Wigner redistributive partitioning of autoionizing widths for dielectronic recombination via multi-electron resonances, reproduce the experimental findings over the entire temperature range.

  20. Absolute rate of the reaction of Cl(p-2) with molecular hydrogen from 200 - 500 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    Rate constants for the reaction of atomic chlorine with hydrogen are measured from 200 - 500 K using the flash photolysis-resonance fluorescence technique. The results are compared with previous work and are discussed with particular reference to the equilibrium constant for the reaction and to relative rate data for chlorine atom reactions. Theoretical calculations, using the BEBO method with tunneling, give excellent agreement with experiment.

  1. Absolute rate of the reaction of atomic hydrogen with ethylene from 198 to 320 K at high pressure

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1978-01-01

    The rate constant for the H+C2H4 reaction has been measured as a function of temperature. Experiments were performed with high pressures of Ar heat bath gas at seven temperatures from 198 to 320 K with the flash photolysis-resonance fluorescence (FP-RF) technique. Pressures were chosen so as to isolate the addition rate constant k1. The results are well represented by an Arrhenius expression. The results are compared with other studies and are theoretically discussed.

  2. Hospital rate review. A theory and an empirical review.

    PubMed

    Morrisey, M A; Conrad, D A; Shortell, S M; Cook, K S

    1984-04-01

    This paper presents a theory of the effects of rate review on hospital operations and organization. Its purpose is to explain the way in which hospitals have responded to regulation. In the development of this theory, the hospital product was viewed as a bundle of services, rate review was looked upon as a ceiling on the value of the bundle. The ceiling creates an incentive to remove elements from the bundle, i.e., to reduce 'quality'. When quality is variable, the effect on utilization becomes indeterminate. The model argues, among other things, that the hospital will change its service complement and its contractural arrangements with physicians and other hospitals. An extension of the organizational theory literature leads to implications concerning the ordering of hospital responses to regulation. The growing body of empirical literature on the effects of hospital rate review is used as an initial test of the major thrusts of the theory. A suggested agenda for further empirical work also is presented.

  3. Evaluation of a theory for pressure-strain rate

    NASA Technical Reports Server (NTRS)

    Weinstock, J.; Shariff, K.

    1987-01-01

    A theoretical expression for the slow part (the nonlinear fluctuation part) of the pressure-strain rate is compared with simulations of anisotropic homogeneous flows. The objective is to determine the quantitative accuracy of the theory and to test its prediction that the generalized Rotta coefficient, a non-dimensionalized ratio of slow term to the Reynolds stress anisotropy, varies with direction and can be negative. Comparisons are made between theoretical and simulation values of the slow term itself and of the generalized Rotta coefficients. The implications of the comparison for two-point closure theories and for Reynolds stress modeling are pointed out.

  4. Rate constitutive theories for ordered thermoviscoelastic fluids: polymers

    NASA Astrophysics Data System (ADS)

    Surana, K. S.; Nunez, D.; Reddy, J. N.; Romkes, A.

    2014-03-01

    This paper presents development of rate constitutive theories for compressible as well as in incompressible ordered thermoviscoelastic fluids, i.e., polymeric fluids in Eulerian description. The polymeric fluids in this paper are considered as ordered thermoviscoelastic fluids in which the stress rate of a desired order, i.e., the convected time derivative of a desired order ` m' of the chosen deviatoric Cauchy stress tensor, and the heat vector are functions of density, temperature, temperature gradient, convected time derivatives of the chosen strain tensor up to any desired order ` n' and the convected time derivative of up to orders ` m-1' of the chosen deviatoric Cauchy stress tensor. The development of the constitutive theories is presented in contravariant and covariant bases, as well as using Jaumann rates. The polymeric fluids described by these constitutive theories will be referred to as ordered thermoviscoelastic fluids due to the fact that the constitutive theories are dependent on the orders ` m' and ` n' of the convected time derivatives of the deviatoric Cauchy stress and conjugate strain tensors. The highest orders of the convected time derivative of the deviatoric Cauchy stress and strain tensors define the orders of the polymeric fluid. The admissibility requirement necessitates that the constitutive theories for the stress tensor and heat vector satisfy conservation laws, hence, in addition to conservation of mass, balance of momenta, and conservation of energy, the second law of thermodynamics, i.e., Clausius-Duhem inequality must also be satisfied by the constitutive theories or be used in their derivations. If we decompose the total Cauchy stress tensor into equilibrium and deviatoric components, then Clausius-Duhem inequality and Helmholtz free-energy density can be used to determine the equilibrium stress in terms of thermodynamic pressure for compressible fluids and in terms of mechanical pressure for incompressible fluids, but the second

  5. Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design.

    PubMed

    Phipps, M J S; Fox, T; Tautermann, C S; Skylaris, C-K

    2016-07-12

    We report the development and implementation of an energy decomposition analysis (EDA) scheme in the ONETEP linear-scaling electronic structure package. Our approach is hybrid as it combines the localized molecular orbital EDA (Su, P.; Li, H. J. Chem. Phys., 2009, 131, 014102) and the absolutely localized molecular orbital EDA (Khaliullin, R. Z.; et al. J. Phys. Chem. A, 2007, 111, 8753-8765) to partition the intermolecular interaction energy into chemically distinct components (electrostatic, exchange, correlation, Pauli repulsion, polarization, and charge transfer). Limitations shared in EDA approaches such as the issue of basis set dependence in polarization and charge transfer are discussed, and a remedy to this problem is proposed that exploits the strictly localized property of the ONETEP orbitals. Our method is validated on a range of complexes with interactions relevant to drug design. We demonstrate the capabilities for large-scale calculations with our approach on complexes of thrombin with an inhibitor comprised of up to 4975 atoms. Given the capability of ONETEP for large-scale calculations, such as on entire proteins, we expect that our EDA scheme can be applied in a large range of biomolecular problems, especially in the context of drug design.

  6. Solvent exchange in liquid methanol and rate theory

    NASA Astrophysics Data System (ADS)

    Dang, Liem X.; Schenter, Gregory K.

    2016-01-01

    To enhance our understanding of the solvent exchange mechanism in liquid methanol, we report a systematic study using molecular dynamics simulations. We use transition state theory, the Impey-Madden-McDonald method, the reactive flux method, and Grote-Hynes theory to compute the rate constants for this process. Solvent coupling was found to dominate, resulting in a significantly small transmission coefficient. We predict a positive activation volume for methanol exchange. The essential features of the dynamics as well as the pressure dependence are recovered from a Generalized Langevin Equation description of the dynamics. We find that the response to anharmonicity can be decomposed into two time regimes, one corresponding to short time response (<0.1 ps) and long time response (>5 ps). An effective characterization of the process is obtained from launching dynamics from the planar hypersurface corresponding to Grote-Hynes theory, resulting in improved numerical convergence of correlation functions.

  7. Absolute rate constant of the reaction OH + H2O2 yields HO2 + H2O from 245 to 423 K

    NASA Technical Reports Server (NTRS)

    Keyser, L. F.

    1980-01-01

    The absolute rate constant of the reaction between the hydroxyl radical and hydrogen peroxide was measured by using the discharge-flow resonance fluorescence technique at total pressure between 1 and 4 torr. At 298 K the result is (1.64 + or - 0.32) x 10 to the -12th cu cm/molecule s. The observed rate constant is independent of pressure, surface-to-volume ratio, the addition of vibrational quenchers, and the source of OH. The temperature dependence has also been determined between 245 and 423 K; the resulting Arrhenius expression is k cu cm/molecule s is equal to (2.51 + or - 0.6) x 10 to the -12th exp(-126 + or - 76/T).

  8. Absolute rate of the reaction of O/3-P/ with hydrogen sulfide over the temperature range 263 to 495 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Timmons, R. B.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    The technique of flash photolysis coupled with time resolved detection of O via resonance fluorescence has been used to obtain rate constants for the reaction of O(3-P) with H2S at temperatures from 263 to 495 K and at pressures in the range 10-400 torr. Under conditions where secondary reactions are avoided, the measured rate constants for the primary step obey the Arrhenius equation k = (7.24 plus or minus 1.07) x 10 to the -12th exp(-3300 plus or minus 100/1.987 T) cu cm/molecules/s. Experiments with D2S show that the reaction exhibits a primary isotope effect, in support of a hydrogen abstraction mechanism.

  9. Thiyl radical reaction with thymine: absolute rate constant for hydrogen abstraction and comparison to benzylic C-H bonds.

    PubMed

    Nauser, Thomas; Schöneich, Christian

    2003-09-01

    Free radical damage of DNA is a well-known process affecting biological tissue under conditions of oxidative stress. Thiols can repair DNA-derived radicals. However, the product thiyl radicals may also cause biological damage. To obtain quantitative information on the potential reactivity with DNA components, we measured the rate constant for hydrogen abstraction by cysteamine thiyl radicals from thymine C5-CH(3), k = (1.2 +/- 0.8) x 10(4) M(-1) s(-1), and thymidine-5'-monophosphate, k = (0.9 +/- 0.6) x 10(4) M(-1) s(-1). Hence, the hydrogen abstraction from C5-CH(3) occurs with rate constants similar to the hydrogen abstraction from the carbohydrate moieties. Especially at low oxygen concentration such as that found in skeletal muscle, such hydrogen abstraction processes by thiyl radicals may well compete against other dioxygen-dependent reactions. The rate constants for hydrogen abstraction at thymine C5-CH(3) were compared to those with benzylic substrates, toluenesulfonic acid, and benzyl alcohol.

  10. Kinetics of reaction of peroxynitrite with selenium- and sulfur-containing compounds: Absolute rate constants and assessment of biological significance.

    PubMed

    Storkey, Corin; Pattison, David I; Ignasiak, Marta T; Schiesser, Carl H; Davies, Michael J

    2015-12-01

    Peroxynitrite (the physiological mixture of ONOOH and its anion, ONOO(-)) is a powerful biologically-relevant oxidant capable of oxidizing and damaging a range of important targets including sulfides, thiols, lipids, proteins, carbohydrates and nucleic acids. Excessive production of peroxynitrite is associated with several human pathologies including cardiovascular disease, ischemic-reperfusion injury, circulatory shock, inflammation and neurodegeneration. This study demonstrates that low-molecular-mass selenols (RSeH), selenides (RSeR') and to a lesser extent diselenides (RSeSeR') react with peroxynitrite with high rate constants. Low molecular mass selenols react particularly rapidly with peroxynitrite, with second order rate constants k2 in the range 5.1 × 10(5)-1.9 × 10(6)M(-1)s(-1), and 250-830 fold faster than the corresponding thiols (RSH) and many other endogenous biological targets. Reactions of peroxynitrite with selenides, including selenosugars are approximately 15-fold faster than their sulfur homologs with k2 approximately 2.5 × 10(3)M(-1)s(-1). The rate constants for diselenides and sulfides were slower with k2 0.72-1.3 × 10(3)M(-1)s(-1) and approximately 2.1 × 10(2)M(-1)s(-1) respectively. These studies demonstrate that both endogenous and exogenous selenium-containing compounds may modulate peroxynitrite-mediated damage at sites of acute and chronic inflammation, with this being of particular relevance at extracellular sites where the thiol pool is limited.

  11. Relativistic Absolutism in Moral Education.

    ERIC Educational Resources Information Center

    Vogt, W. Paul

    1982-01-01

    Discusses Emile Durkheim's "Moral Education: A Study in the Theory and Application of the Sociology of Education," which holds that morally healthy societies may vary in culture and organization but must possess absolute rules of moral behavior. Compares this moral theory with current theory and practice of American educators. (MJL)

  12. Benchmark calculations of thermal reaction rates. I - Quantal scattering theory

    NASA Technical Reports Server (NTRS)

    Chatfield, David C.; Truhlar, Donald G.; Schwenke, David W.

    1991-01-01

    The thermal rate coefficient for the prototype reaction H + H2 yields H2 + H with zero total angular momentum is calculated by summing, averaging, and numerically integrating state-to-state reaction probabilities calculated by time-independent quantum-mechanical scattering theory. The results are very carefully converged with respect to all numerical parameters in order to provide high-precision benchmark results for confirming the accuracy of new methods and testing their efficiency.

  13. Hydroxyl-radical-induced degradative oxidation of beta-lactam antibiotics in water: absolute rate constant measurements.

    PubMed

    Dail, Michelle K; Mezyk, Stephen P

    2010-08-19

    The beta-lactam antibiotics are some of the most prevalent pharmaceutical contaminants currently being detected in aquatic environments. Because the presence of any trace level of antibiotic in water may adversely affect aquatic ecosystems and contribute to the production of antibiotic-resistant bacteria, active removal by additional water treatments, such as using advanced oxidation and reduction processes (AO/RPs), may be required. However, to ensure that any AOP treatment process occurs efficiently and quantitatively, a full understanding of the kinetics and mechanisms of all of the chemical reactions involved under the conditions of use is necessary. In this study, we report on our kinetic measurements for the hydroxyl-radical-induced oxidation of 11 beta-lactam antibiotics obtained using electron pulse radiolysis techniques. For the 5-member ring species, an average reaction rate constant of (7.9 +/- 0.8) x 10(9) M(-1) s(-1) was obtained, slightly faster than for the analogous 6-member ring containing antibiotics, (6.6 +/- 1.2) x 10(9) M(-1) s(-1). The consistency of these rate constants for each group infers a common reaction mechanism, consisting of the partitioning of the hydroxyl radical between addition to peripheral aromatic rings and reaction with the central double-ring core of these antibiotics.

  14. Absolute rate constants for O + NO + M /= He, Ne, Ar, Kr/ yields NO2 + M from 217-500 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Payne, W. A.; Whytock, D. A.

    1976-01-01

    Rate constants for the reaction O + NO + M yields NO2 + M have been obtained at temperatures from 217-500 K in four different rare gases by a method combining flash photolysis with time resolved detection of O(3-P) by resonance fluorescence. The measured rate constants in Arrhenius form are (10.8 plus or minus 1.2) x 10 to the -33rd exp(1040 plus or minus 60/1.987 T) for helium; (9.01 plus or minus 1.16) x 10 to the -33rd exp(1180 plus or minus 70/1.987 T) for argon; (9.33 plus or minus 1.10) x 10 to the -33rd exp(1030 plus or minus 60/1.987 T) for neon; and (9.52 plus or minus 1.10) x 10 to the -33rd exp(1140 plus or minus 70/1.987 T) for krypton in units of cm to the 6th/sq molecule/s.

  15. Optically based quantification of absolute cerebral metabolic rate of oxygen (CMRO2) with high spatial resolution in rodents

    NASA Astrophysics Data System (ADS)

    Yaseen, Mohammad A.; Srinivasan, Vivek J.; Sakadžić, Sava; Vinogradov, Sergei A.; Boas, David A.

    2010-02-01

    Measuring oxygen delivery in brain tissue is important for identifying the pathophysiological changes associated with brain injury and various diseases such as cancer, stroke, and Alzheimer's disease. We have developed a multi-modal imaging system for minimally invasive measurement of cerebral oxygenation and blood flow in small animals with high spatial resolution. The system allows for simultaneous measurement of blood flow using Fourier-domain optical coherence tomography, and oxygen partial pressure (pO2) using either confocal or multiphoton phosphorescence lifetime imaging with exogenous porphyrin-based dyes sensitive to dissolved oxygen. Here we present the changes in pO2 and blood flow in superficial cortical vessels of Sprague Dawley rats in response to conditions such as hypoxia, hyperoxia, and functional stimulation. pO2 measurements display considerable heterogeneity over distances that cannot be resolved with more widely used oxygen-monitoring techniques such as BOLD-fMRI. Large increases in blood flow are observed in response to functional stimulation and hypoxia. Our system allows for quantification of cerebral metabolic rate of oxygen (CMRO2) with high spatial resolution, providing a better understanding of metabolic dynamics during functional stimulation and under various neuropathologies. Ultimately, better insight into the underlying mechanisms of neuropathologies will facilitate the development of improved therapeutic strategies to minimize damage to brain tissue.

  16. Pressure dependence of the absolute rate constant for the reaction Cl + C2H2 from 210-361 K

    NASA Technical Reports Server (NTRS)

    Brunning, J.; Stief, L. J.

    1985-01-01

    In recent years, considerable attention has been given to the role of chlorine compounds in the catalytic destruction of stratospheric ozone. However, while some reactions have been studied extensively, the kinetic data for the reaction of Cl with C2H2 is sparse with only three known determinations of the rate constant k3. The reactions involved are Cl + C2H2 yields reversibly ClC2H2(asterisk) (3a) and ClC2H2(asterisk) + M yields ClC2H2 + M (3b). In the present study, flash photolysis coupled with chlorine atomic resonance fluorescence have been employed to determine the pressure and temperature dependence of k3 with the third body M = Ar. Room temperature values are also reported for M = N2. The pressure dependence observed in the experiments confirms the expectation that the reaction involves addition of Cl to the unsaturated C2H2 molecule followed by collisional stabilization of the resulting adduct radical.

  17. Finite hedging in field theory models of interest rates.

    PubMed

    Baaquie, Belal E; Srikant, Marakani

    2004-03-01

    We use path integrals to calculate hedge parameters and efficacy of hedging in a quantum field theory generalization of the Heath, Jarrow, and Morton [Robert Jarrow, David Heath, and Andrew Morton, Econometrica 60, 77 (1992)] term structure model, which parsimoniously describes the evolution of imperfectly correlated forward rates. We calculate, within the model specification, the effectiveness of hedging over finite periods of time, and obtain the limiting case of instantaneous hedging. We use empirical estimates for the parameters of the model to show that a low-dimensional hedge portfolio is quite effective.

  18. Solvent Exchange in Liquid Methanol and Rate Theory

    SciTech Connect

    Dang, Liem X.; Schenter, Gregory K.

    2016-01-01

    To enhance our understanding of the solvent exchange mechanism in liquid methanol, we report a systematic study of this process using molecular dynamics simulations. We use transition state theory, the Impey-Madden-McDonald method, the reactive flux method, and Grote-Hynes theory to compute the rate constants for this process. Solvent coupling was found to dominate, resulting in a significantly small transmission coefficient. We predict a positive activation volume for the methanol exchange process. The essential features of the dynamics of the system as well as the pressure dependence are recovered from a Generalized Langevin Equation description of the dynamics. We find that the dynamics and response to anharmonicity can be decomposed into two time regimes, one corresponding to short time response (< 0.1 ps) and long time response (> 5 ps). An effective characterization of the process results from launching dynamics from the planar hypersurface corresponding to Grote-Hynes theory. This results in improved numerical convergence of correlation functions. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

  19. Testing Theories of Transfer Using Error Rate Learning Curves.

    PubMed

    Koedinger, Kenneth R; Yudelson, Michael V; Pavlik, Philip I

    2016-07-01

    We analyze naturally occurring datasets from student use of educational technologies to explore a long-standing question of the scope of transfer of learning. We contrast a faculty theory of broad transfer with a component theory of more constrained transfer. To test these theories, we develop statistical models of them. These models use latent variables to represent mental functions that are changed while learning to cause a reduction in error rates for new tasks. Strong versions of these models provide a common explanation for the variance in task difficulty and transfer. Weak versions decouple difficulty and transfer explanations by describing task difficulty with parameters for each unique task. We evaluate these models in terms of both their prediction accuracy on held-out data and their power in explaining task difficulty and learning transfer. In comparisons across eight datasets, we find that the component models provide both better predictions and better explanations than the faculty models. Weak model variations tend to improve generalization across students, but hurt generalization across items and make a sacrifice to explanatory power. More generally, the approach could be used to identify malleable components of cognitive functions, such as spatial reasoning or executive functions.

  20. Testing Theories of Transfer Using Error Rate Learning Curves.

    PubMed

    Koedinger, Kenneth R; Yudelson, Michael V; Pavlik, Philip I

    2016-07-01

    We analyze naturally occurring datasets from student use of educational technologies to explore a long-standing question of the scope of transfer of learning. We contrast a faculty theory of broad transfer with a component theory of more constrained transfer. To test these theories, we develop statistical models of them. These models use latent variables to represent mental functions that are changed while learning to cause a reduction in error rates for new tasks. Strong versions of these models provide a common explanation for the variance in task difficulty and transfer. Weak versions decouple difficulty and transfer explanations by describing task difficulty with parameters for each unique task. We evaluate these models in terms of both their prediction accuracy on held-out data and their power in explaining task difficulty and learning transfer. In comparisons across eight datasets, we find that the component models provide both better predictions and better explanations than the faculty models. Weak model variations tend to improve generalization across students, but hurt generalization across items and make a sacrifice to explanatory power. More generally, the approach could be used to identify malleable components of cognitive functions, such as spatial reasoning or executive functions. PMID:27230694

  1. Application of Semiclassical Methods to Reaction Rate Theory

    NASA Astrophysics Data System (ADS)

    Hernandez, Rigoberto

    This work is concerned with the development of approximate methods to describe relatively large chemical systems. This effort has been divided into two primary directions: First, we have extended and applied a semiclassical transition state theory (SCTST) originally proposed by Miller* to obtain microcanonical and canonical (thermal) rates for chemical reactions described by a nonseparable Hamiltonian, i.e., most reactions. Second, we have developed a method to describe the fluctuations of decay rates of individual energy states from the average RRKM rate in systems where the direct calculation of individual rates would be impossible. Combined with the semiclassical theory this latter effort has provided a direct comparison to the experimental results of Moore and coworkers. ^dagger. In SCTST, the Hamiltonian is expanded about the barrier and the "good" action-angle variables are obtained perturbatively; a WKB analysis of the effectively one-dimensional reactive direction then provides the transmission probabilities. ^ddagger The advantages of this local approximate treatment are that it includes tunneling effects and anharmonicity, and it systematically provides a multi-dimensional dividing surface in phase space. The SCTST thermal rate expression has been reformulated providing increased numerical efficiency (as compared to a naive Boltzmann average), an appealing link to conventional transition state theory (involving a "pre-reactive" partition function depending on the action of the reactive mode), and the ability to go beyond the perturbative approximation. ^S. In addition, the distribution of unimolecular decay rates at threshold energies to dissociation has been modeled by describing the quasi-bound states as strongly -mixed. The possible existence of globally conserved symmetries --which would break this ansatz--is included by treating each symmetry block of the Hamiltonian separably and assuming the ansatz for each symmetry manifold. Use of SCTST to

  2. A full-dimensional model of ozone forming reaction: the absolute value of the recombination rate coefficient, its pressure and temperature dependencies.

    PubMed

    Teplukhin, Alexander; Babikov, Dmitri

    2016-07-28

    Rigorous calculations of scattering resonances in ozone are carried out for a broad range of rotational excitations. The accurate potential energy surface of Dawes is adopted, and a new efficient method for calculations of ro-vibrational energies, wave functions and resonance lifetimes is employed (which uses hyper-spherical coordinates, the sequential diagonalization/truncation approach, grid optimization and complex absorbing potential). A detailed analysis is carried out to characterize distributions of resonance energies and lifetimes, their rotational/vibrational content and their positions with respect to the centrifugal barrier. Emphasis is on the contribution of these resonances to the recombination process that forms ozone. It is found that major contributions come from localized resonances at energies near the top of the barrier. Delocalized resonances at higher energies should also be taken into account, while very narrow resonances at low energies (trapped far behind the centrifugal barrier) should be treated as bound states. The absolute value of the recombination rate coefficient, its pressure and temperature dependencies are obtained using the energy-transfer model developed in the earlier work. Good agreement with experimental data is obtained if one follows the suggestion of Troe, who argued that the energy transfer mechanism of recombination is responsible only for 55% of the recombination rate (with the remaining 45% coming from the competing chaperon mechanism). PMID:27364351

  3. A full-dimensional model of ozone forming reaction: the absolute value of the recombination rate coefficient, its pressure and temperature dependencies.

    PubMed

    Teplukhin, Alexander; Babikov, Dmitri

    2016-07-28

    Rigorous calculations of scattering resonances in ozone are carried out for a broad range of rotational excitations. The accurate potential energy surface of Dawes is adopted, and a new efficient method for calculations of ro-vibrational energies, wave functions and resonance lifetimes is employed (which uses hyper-spherical coordinates, the sequential diagonalization/truncation approach, grid optimization and complex absorbing potential). A detailed analysis is carried out to characterize distributions of resonance energies and lifetimes, their rotational/vibrational content and their positions with respect to the centrifugal barrier. Emphasis is on the contribution of these resonances to the recombination process that forms ozone. It is found that major contributions come from localized resonances at energies near the top of the barrier. Delocalized resonances at higher energies should also be taken into account, while very narrow resonances at low energies (trapped far behind the centrifugal barrier) should be treated as bound states. The absolute value of the recombination rate coefficient, its pressure and temperature dependencies are obtained using the energy-transfer model developed in the earlier work. Good agreement with experimental data is obtained if one follows the suggestion of Troe, who argued that the energy transfer mechanism of recombination is responsible only for 55% of the recombination rate (with the remaining 45% coming from the competing chaperon mechanism).

  4. Measuring the absolute disintegration rate of a radioactive gas with a moveable endplate discharge counter (MEP) and theoretical calculation of wall effect

    SciTech Connect

    Jaffey, A.H.; Gray, J.; Bentley, W.C.; Lerner, J.L.

    1987-09-01

    A precision built moveable endplate Geiger-Mueller counter was used to measure the absolute disintegration rate of a beta-emitting radioactive gas. A Geiger-Mueller counter used for measuring gaseous radioactivity has <100% counting efficiency owing to two factors: (1) ''end effect,'' due to decreased and distorted fields at the ends where wire-insulator joints are placed, and (2) ''wall effect,'' due to non-ionization by beta particles emitted near to and heading into the wall. The end effect was evaluated by making one end of the counter movable and measuring counting rates at a number of endplate positions. Much of the wall effect was calculated theoretically, based on known data for primary ionization of electrons as a function of energy and gas composition. Corrections were then made for the ''shakeoff'' effect in beta decay and for backscattering of electrons from the counter wall. Measurements and calculations were made for a sample of /sup 85/Kr (beta energy, 0.67 MeV). The wall effect calculation is readily extendable to other beta energies.

  5. Efficiency and credit ratings: a permutation-information-theory analysis

    NASA Astrophysics Data System (ADS)

    Fernandez Bariviera, Aurelio; Zunino, Luciano; Belén Guercio, M.; Martinez, Lisana B.; Rosso, Osvaldo A.

    2013-08-01

    The role of credit rating agencies has been under severe scrutiny after the subprime crisis. In this paper we explore the relationship between credit ratings and informational efficiency of a sample of thirty nine corporate bonds of US oil and energy companies from April 2008 to November 2012. For this purpose we use a powerful statistical tool, relatively new in the financial literature: the complexity-entropy causality plane. This representation space allows us to graphically classify the different bonds according to their degree of informational efficiency. We find that this classification agrees with the credit ratings assigned by Moody’s. In particular, we detect the formation of two clusters, which correspond to the global categories of investment and speculative grades. Regarding the latter cluster, two subgroups reflect distinct levels of efficiency. Additionally, we also find an intriguing absence of correlation between informational efficiency and firm characteristics. This allows us to conclude that the proposed permutation-information-theory approach provides an alternative practical way to justify bond classification.

  6. Modeling irradiation creep of graphite using rate theory

    DOE PAGES

    Sarkar, Apu; Eapen, Jacob; Raj, Anant; Murty, K. L.; Burchell, T. D.

    2016-02-20

    In this work we examined irradiation induced creep of graphite in the framework of transition state rate theory. Experimental data for two grades of nuclear graphite (H-337 and AGOT) were analyzed to determine the stress exponent (n) and activation energy (Q) for plastic flow under irradiation. Here we show that the mean activation energy lies between 0.14 and 0.32 eV with a mean stress-exponent of 1.0 ± 0.2. A stress exponent of unity and the unusually low activation energies strongly indicate a diffusive defect transport mechanism for neutron doses in the range of 3-4 x 1022 n/cm2.

  7. Absolute rate constant and O(3P) yield for the O(1D)+N2O reaction in the temperature range 227 K to 719 K

    NASA Astrophysics Data System (ADS)

    Vranckx, S.; Peeters, J.; Carl, S. A.

    2008-10-01

    The absolute rate constant for the reaction that is the major source of stratospheric NOx, O(1D)+N2O → products, has been determined in the temperature range 227 K to 719 K, and, in the temperature range 248 K to 600 K, the fraction of the reaction that yields O(3P). Both the rate constants and product yields were determined using a recently-developed chemiluminescence technique for monitoring O(1D) that allows for higher precision determinations for both rate constants, and, particularly, O(3P) yields, than do other methods. We found the rate constant, kR1, to be essentially independent of temperature between 400 K and 227 K, having a value of (1.37±0.11)×10-10 cm3 s-1, and for temperatures greater than 450 K a marked decrease in rate constant was observed, with a rate constant of only (0.94±0.11)×10-10 cm3 s-1 at 719 K. The rate constants determined over the 227 K 400 K range show very low scatter and are significantly greater, by 20% at room temperature and 15% at 227 K, than the current recommended values. The fraction of O(3P) produced in this reaction was determined to be 0.002±0.002 at 250 K rising steadily to 0.010±0.004 at 600 K, thus the channel producing O(3P) can be entirely neglected in atmospheric kinetic modeling calculations. A further result of this study is an expression of the relative quantum yields as a function of temperature for the chemiluminescence reactions (kCL1)C2H + O(1D) → CH(A) + CO and (kCL2)C2H + O(3P) → CH(A) + CO, both followed by CH(A) → CH(X) + hν, as kCL1(T)/kCL2(T)=(32.8T-3050)/(6.29T+398).

  8. Absolute rate constant and O(3P) yield for the O(1D)+N2O reaction in the temperature range 227 K to 719 K

    NASA Astrophysics Data System (ADS)

    Vranckx, S.; Peeters, J.; Carl, S. A.

    2008-05-01

    We have determined, in the temperature range 227 K to 719 K, the absolute rate constant for the reaction O(1D)+N2O → products and, in the temperature range 248 K to 600 K, the fraction of the reaction that yields O(3P). Both the rate constants and product yields were determined using a recently-developed chemiluminescence technique for monitoring O(1D) that allows for higher precision determinations for both rate constants, and, particularly, O(3P) yields, than do other methods. We found the rate constant, kR1, to be essentially independent of temperature between 400 K and 227 K, having a value of (1.37±0.09)×10-10 cm3 s-1. For temperatures greater than 450 K a marked decrease in value was observed, with a rate constant of only (0.94±0.11)×10-10 cm3 s-1 at 719 K. The rate constants determined over the 227 K-400 K range show very low scatter and are significantly greater, by 20% at room temperature and by 15% at 227 K, than the current recommended values. The fraction of O(3P) produced in this reaction was determined to be 0.002±0.002 at 250 K rising steadily to 0.010±0.004 at 600 K, thus the channel producing O(3P) can be entirely neglected in atmospheric kinetic modeling calculations. A further result of this study is an expression of the relative quantum yields as a function of temperature for the chemiluminescence reactions (kCL1) C2H+O(1D) → CH(A)+CO and (kCL2) C2H+O(3P) → CH(A)+CO, both followed by CH(A) → CH(X)+hν, as kCL1(T)/kCL2(T)=(32.8T-3050)/(6.29T+398).

  9. Adult Attachment Ratings (AAR): An Item Response Theory Analysis

    PubMed Central

    Pilkonis, Paul A.; Kim, Yookyung; Yu, Lan; Morse, Jennifer Q.

    2013-01-01

    The Adult Attachment Ratings (AAR) include 3 scales for anxious, ambivalent attachment (excessive dependency, interpersonal ambivalence, and compulsive care-giving), 3 for avoidant attachment (rigid self-control, defensive separation, and emotional detachment), and 1 for secure attachment. The scales include items (ranging from 6–16 in their original form) scored by raters using a 3-point format (0 = absent, 1 = present, and 2 = strongly present) and summed to produce a total score. Item response theory (IRT) analyses were conducted with data from 414 participants recruited from psychiatric outpatient, medical, and community settings to identify the most informative items from each scale. The IRT results allowed us to shorten the scales to 5-item versions that are more precise and easier to rate because of their brevity. In general, the effective range of measurement for the scales was 0 to +2 SDs for each of the attachment constructs; that is, from average to high levels of attachment problems. Evidence for convergent and discriminant validity of the scales was investigated by comparing them with the Experiences of Close Relationships–Revised (ECR–R) scale and the Kobak Attachment Q-sort. The best consensus among self-reports on the ECR–R, informant ratings on the ECR–R, and expert judgments on the Q-sort and the AAR emerged for anxious, ambivalent attachment. Given the good psychometric characteristics of the scale for secure attachment, however, this measure alone might provide a simple alternative to more elaborate procedures for some measurement purposes. Conversion tables are provided for the 7 scales to facilitate transformation from raw scores to IRT-calibrated (theta) scores. PMID:24033268

  10. Adult Attachment Ratings (AAR): an item response theory analysis.

    PubMed

    Pilkonis, Paul A; Kim, Yookyung; Yu, Lan; Morse, Jennifer Q

    2014-01-01

    The Adult Attachment Ratings (AAR) include 3 scales for anxious, ambivalent attachment (excessive dependency, interpersonal ambivalence, and compulsive care-giving), 3 for avoidant attachment (rigid self-control, defensive separation, and emotional detachment), and 1 for secure attachment. The scales include items (ranging from 6-16 in their original form) scored by raters using a 3-point format (0 = absent, 1 = present, and 2 = strongly present) and summed to produce a total score. Item response theory (IRT) analyses were conducted with data from 414 participants recruited from psychiatric outpatient, medical, and community settings to identify the most informative items from each scale. The IRT results allowed us to shorten the scales to 5-item versions that are more precise and easier to rate because of their brevity. In general, the effective range of measurement for the scales was 0 to +2 SDs for each of the attachment constructs; that is, from average to high levels of attachment problems. Evidence for convergent and discriminant validity of the scales was investigated by comparing them with the Experiences of Close Relationships-Revised (ECR-R) scale and the Kobak Attachment Q-sort. The best consensus among self-reports on the ECR-R, informant ratings on the ECR-R, and expert judgments on the Q-sort and the AAR emerged for anxious, ambivalent attachment. Given the good psychometric characteristics of the scale for secure attachment, however, this measure alone might provide a simple alternative to more elaborate procedures for some measurement purposes. Conversion tables are provided for the 7 scales to facilitate transformation from raw scores to IRT-calibrated (theta) scores.

  11. A Theory of Rate Coding Control by Intrinsic Plasticity Effects

    PubMed Central

    Naudé, J.; Paz, J. T.; Berry, H.; Delord, B.

    2012-01-01

    Intrinsic plasticity (IP) is a ubiquitous activity-dependent process regulating neuronal excitability and a cellular correlate of behavioral learning and neuronal homeostasis. Because IP is induced rapidly and maintained long-term, it likely represents a major determinant of adaptive collective neuronal dynamics. However, assessing the exact impact of IP has remained elusive. Indeed, it is extremely difficult disentangling the complex non-linear interaction between IP effects, by which conductance changes alter neuronal activity, and IP rules, whereby activity modifies conductance via signaling pathways. Moreover, the two major IP effects on firing rate, threshold and gain modulation, remain unknown in their very mechanisms. Here, using extensive simulations and sensitivity analysis of Hodgkin-Huxley models, we show that threshold and gain modulation are accounted for by maximal conductance plasticity of conductance that situate in two separate domains of the parameter space corresponding to sub- and supra-threshold conductance (i.e. activating below or above the spike onset threshold potential). Analyzing equivalent integrate-and-fire models, we provide formal expressions of sensitivities relating to conductance parameters, unraveling unprecedented mechanisms governing IP effects. Our results generalize to the IP of other conductance parameters and allow strong inference for calcium-gated conductance, yielding a general picture that accounts for a large repertoire of experimental observations. The expressions we provide can be combined with IP rules in rate or spiking models, offering a general framework to systematically assess the computational consequences of IP of pharmacologically identified conductance with both fine grain description and mathematical tractability. We provide an example of such IP loop model addressing the important issue of the homeostatic regulation of spontaneous discharge. Because we do not formulate any assumptions on modification rules

  12. A theory of rate coding control by intrinsic plasticity effects.

    PubMed

    Naudé, J; Paz, J T; Berry, H; Delord, B

    2012-01-01

    Intrinsic plasticity (IP) is a ubiquitous activity-dependent process regulating neuronal excitability and a cellular correlate of behavioral learning and neuronal homeostasis. Because IP is induced rapidly and maintained long-term, it likely represents a major determinant of adaptive collective neuronal dynamics. However, assessing the exact impact of IP has remained elusive. Indeed, it is extremely difficult disentangling the complex non-linear interaction between IP effects, by which conductance changes alter neuronal activity, and IP rules, whereby activity modifies conductance via signaling pathways. Moreover, the two major IP effects on firing rate, threshold and gain modulation, remain unknown in their very mechanisms. Here, using extensive simulations and sensitivity analysis of Hodgkin-Huxley models, we show that threshold and gain modulation are accounted for by maximal conductance plasticity of conductance that situate in two separate domains of the parameter space corresponding to sub- and supra-threshold conductance (i.e. activating below or above the spike onset threshold potential). Analyzing equivalent integrate-and-fire models, we provide formal expressions of sensitivities relating to conductance parameters, unraveling unprecedented mechanisms governing IP effects. Our results generalize to the IP of other conductance parameters and allow strong inference for calcium-gated conductance, yielding a general picture that accounts for a large repertoire of experimental observations. The expressions we provide can be combined with IP rules in rate or spiking models, offering a general framework to systematically assess the computational consequences of IP of pharmacologically identified conductance with both fine grain description and mathematical tractability. We provide an example of such IP loop model addressing the important issue of the homeostatic regulation of spontaneous discharge. Because we do not formulate any assumptions on modification rules

  13. A theory of rate coding control by intrinsic plasticity effects.

    PubMed

    Naudé, J; Paz, J T; Berry, H; Delord, B

    2012-01-01

    Intrinsic plasticity (IP) is a ubiquitous activity-dependent process regulating neuronal excitability and a cellular correlate of behavioral learning and neuronal homeostasis. Because IP is induced rapidly and maintained long-term, it likely represents a major determinant of adaptive collective neuronal dynamics. However, assessing the exact impact of IP has remained elusive. Indeed, it is extremely difficult disentangling the complex non-linear interaction between IP effects, by which conductance changes alter neuronal activity, and IP rules, whereby activity modifies conductance via signaling pathways. Moreover, the two major IP effects on firing rate, threshold and gain modulation, remain unknown in their very mechanisms. Here, using extensive simulations and sensitivity analysis of Hodgkin-Huxley models, we show that threshold and gain modulation are accounted for by maximal conductance plasticity of conductance that situate in two separate domains of the parameter space corresponding to sub- and supra-threshold conductance (i.e. activating below or above the spike onset threshold potential). Analyzing equivalent integrate-and-fire models, we provide formal expressions of sensitivities relating to conductance parameters, unraveling unprecedented mechanisms governing IP effects. Our results generalize to the IP of other conductance parameters and allow strong inference for calcium-gated conductance, yielding a general picture that accounts for a large repertoire of experimental observations. The expressions we provide can be combined with IP rules in rate or spiking models, offering a general framework to systematically assess the computational consequences of IP of pharmacologically identified conductance with both fine grain description and mathematical tractability. We provide an example of such IP loop model addressing the important issue of the homeostatic regulation of spontaneous discharge. Because we do not formulate any assumptions on modification rules

  14. Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale.

    PubMed

    Carvalho, Nathalia F; Pliego, Josefredo R

    2015-10-28

    Absolute single-ion solvation free energy is a very useful property for understanding solution phase chemistry. The real solvation free energy of an ion depends on its interaction with the solvent molecules and on the net potential inside the solute cavity. The tetraphenyl arsonium-tetraphenyl borate (TATB) assumption as well as the cluster-continuum quasichemical theory (CC-QCT) approach for Li(+) solvation allows access to a solvation scale excluding the net potential. We have determined this free energy scale investigating the solvation of the lithium ion in water (H2O), acetonitrile (CH3CN) and dimethyl sulfoxide (DMSO) solvents via the CC-QCT approach. Our calculations at the MP2 and MP4 levels with basis sets up to the QZVPP+diff quality, and including solvation of the clusters and solvent molecules by the dielectric continuum SMD method, predict the solvation free energy of Li(+) as -116.1, -120.6 and -123.6 kcal mol(-1) in H2O, CH3CN and DMSO solvents, respectively (1 mol L(-1) standard state). These values are compatible with the solvation free energy of the proton of -253.4, -253.2 and -261.1 kcal mol(-1) in H2O, CH3CN and DMSO solvents, respectively. Deviations from the experimental TATB scale are only 1.3 kcal mol(-1) in H2O and 1.8 kcal mol(-1) in DMSO solvents. However, in the case of CH3CN, the deviation reaches a value of 9.2 kcal mol(-1). The present study suggests that the experimental TATB scale is inconsistent for CH3CN. A total of 125 values of the solvation free energy of ions in these three solvents were obtained. These new data should be useful for the development of theoretical solvation models.

  15. Reversible intramolecular hydrogen transfer between cysteine thiyl radicals and glycine and alanine in model peptides: absolute rate constants derived from pulse radiolysis and laser flash photolysis

    PubMed Central

    Nauser, Thomas; Casi, Giulio; Koppenol, Willem H.; Schöneich, Christian

    2008-01-01

    The intramolecular reaction of cysteine thiyl radicals with peptide and protein αC-H bonds represents a potential mechanism for irreversible protein oxidation. Here, we have measured absolute rate constants for these reversible hydrogen transfer reactions by means of pulse radiolysis and laser flash photolysis of model peptides. For N-Ac-CysGly6 and N-Ac-CysGly2AspGly3, Cys thiyl radicals abstract hydrogen atoms from Gly with kf = (1.0-1.1)×105 s-1, generating carbon-centered radicals, while the reverse reaction proceeds with kr = (8.0-8.9)×105 s-1. The forward reaction shows a normal kinetic isotope effect of kH/kD = 6.9, while the reverse reaction shows a significantly higher normal kinetic isotope effect of 17.6, suggesting a contribution of tunneling. For N-Ac-CysAla2AspAla3, cysteine thiyl radicals abstract hydrogen atoms from Ala with kf =(0.9-1.0)×104 s-1, while the reverse reaction proceeds with kr = 1.0×105 s-1. The order of reactivity, Gly > Ala, is in accord with previous studies on intermolecular reactions of thiyl radicals with these amino acids. The fact that kf < kr suggests some secondary structure of the model peptides, which prevents the adoption of extended conformations, for which calculations of homolytic bond dissociation energies would have predicted kf > kr. Despite kf < kr, model calculations show that intramolecular hydrogen abstraction by Cys thiyl radicals can lead to significant oxidation of other amino acids in the presence of physiologic oxygen concentrations. PMID:18973367

  16. Heart rate discrimination and heart rate control: a test of Brener's theory.

    PubMed

    Grigg, L; Ashton, R

    1984-12-01

    Three experiments were conducted to examine predictions from Brener's theory regarding the relationship between autonomic discrimination and autonomic control. Experiment 1 examined the possibility that training subjects to discriminate their heart rates would enhance their skill at controlling that response. Twenty subjects participated in two sessions during which one group of 10 subjects received training (knowledge of results) on the Ashton discrimination technique. The second group performed the discrimination task but received no training. All subjects then took part in a third session of heart rate (HR) control (both increase and decrease) where half of each of the aforementioned groups received feedback during the control task, while the other half performed the HR control task without feedback. Results indicated that for the control of both HR increases and decreases, there was no significant difference between those subjects trained to discriminate their HR, and those who had received no training to discriminate HR. The second experiment investigated the hypothesis that training subjects with feedback to control their HR would enhance their capacity to discriminate their heart activity. Ten subjects participated in two sessions of HR control during which half the subjects received feedback training to increase HR. During a third session, all subjects underwent a test of discrimination ability using the Ashton technique, and no knowledge of results regarding performance was provided. Results confirmed the hypothesis. The final experiment in the series investigated the discrimination/control relationship within a problem-solving framework and used 20 subjects. Results confirmed the hypothesis that subjects forewarned at the time of discrimination training that a heart rate control task was to follow would perform better than 10 subjects receiving no forewarning of the task objective. This effect took place independently of cardiac discrimination ability. A

  17. Teaching Absolute Value Meaningfully

    ERIC Educational Resources Information Center

    Wade, Angela

    2012-01-01

    What is the meaning of absolute value? And why do teachers teach students how to solve absolute value equations? Absolute value is a concept introduced in first-year algebra and then reinforced in later courses. Various authors have suggested instructional methods for teaching absolute value to high school students (Wei 2005; Stallings-Roberts…

  18. Validation of absolute axial neutron flux distribution calculations with MCNP with 197Au(n,γ)198Au reaction rate distribution measurements at the JSI TRIGA Mark II reactor.

    PubMed

    Radulović, Vladimir; Štancar, Žiga; Snoj, Luka; Trkov, Andrej

    2014-02-01

    The calculation of axial neutron flux distributions with the MCNP code at the JSI TRIGA Mark II reactor has been validated with experimental measurements of the (197)Au(n,γ)(198)Au reaction rate. The calculated absolute reaction rate values, scaled according to the reactor power and corrected for the flux redistribution effect, are in good agreement with the experimental results. The effect of different cross-section libraries on the calculations has been investigated and shown to be minor. PMID:24316530

  19. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  20. Eosinophil count - absolute

    MedlinePlus

    Eosinophils; Absolute eosinophil count ... the white blood cell count to give the absolute eosinophil count. ... than 500 cells per microliter (cells/mcL). Normal value ranges may vary slightly among different laboratories. Talk ...

  1. Predicting Accurate Electronic Excitation Transfer Rates via Marcus Theory with Boys or Edmiston-Ruedenberg Localized Diabatization

    SciTech Connect

    Subotnik, Joseph E.; Vura-Weis, Josh; Sodt, Alex J.; Ratner, Mark A.

    2010-05-06

    We model the triplet-triplet energy-transfer experiments from the Closs group [Closs, G. L.; et al. J. Am. Chem. Soc. 1988, 110, 2652.] using a combination of Marcus theory and either Boys or Edmiston-Ruedenberg localized diabatization, and we show that relative and absolute rates of electronic excitation transfer may be computed successfully. For the case where both the donor and acceptor occupy equatorial positions on a rigid cyclohexane bridge, we find βcalc = 2.8 per C-C bond, compared with the experimental value βexp = 2.6. This work highlights the power of using localized diabatization methods as a tool for modeling nonequilibrium processes.

  2. On the Absolute Continuity of the Blackwell Measure

    NASA Astrophysics Data System (ADS)

    Bárány, Balázs; Kolossváry, István

    2015-04-01

    In 1957, Blackwell expressed the entropy of hidden Markov chains using a measure which can be characterised as an invariant measure for an iterated function system with place-dependent weights. This measure, called the Blackwell measure, plays a central role in understanding the entropy rate and other important characteristics of fundamental models in information theory. We show that for a suitable set of parameter values the Blackwell measure is absolutely continuous for almost every parameter in the case of binary symmetric channels.

  3. MPAA Film Ratings and Film Attendance: A Test of Reactance Theory.

    ERIC Educational Resources Information Center

    Austin, Bruce A.

    Reactance theory predicts that when a behavioral freedom is restricted or eliminated an individual is motivationally aroused to restore that freedom. This theory served as the basis of a study that investigated whether motion picture ratings, specifically R and X ratings, acted as a source of reactance arousal for high school students. Subjects…

  4. Putting Reaction Rates and Collision Theory in the Hands of Your Students.

    ERIC Educational Resources Information Center

    Evenson, Andy

    2002-01-01

    Describes a simulation that can be used to give concrete analogies of collision theory and the factors that affect reaction rates including temperature, concentration, catalyst, and molecular orientation. The simulation works best if done as an introduction to the concepts to help prevent misconceptions about reaction rates and collision theory.…

  5. Frequency-domain analysis of absolute gravimeters

    NASA Astrophysics Data System (ADS)

    Svitlov, S.

    2012-12-01

    An absolute gravimeter is analysed as a linear time-invariant system in the frequency domain. Frequency responses of absolute gravimeters are derived analytically based on the propagation of the complex exponential signal through their linear measurement functions. Depending on the model of motion and the number of time-distance coordinates, an absolute gravimeter is considered as a second-order (three-level scheme) or third-order (multiple-level scheme) low-pass filter. It is shown that the behaviour of an atom absolute gravimeter in the frequency domain corresponds to that of the three-level corner-cube absolute gravimeter. Theoretical results are applied for evaluation of random and systematic measurement errors and optimization of an experiment. The developed theory agrees with known results of an absolute gravimeter analysis in the time and frequency domains and can be used for measurement uncertainty analyses, building of vibration-isolation systems and synthesis of digital filtering algorithms.

  6. An Application of Durkheim's Theory of Suicide to Prison Suicide Rates in the United States

    ERIC Educational Resources Information Center

    Tartaro, Christine; Lester, David

    2005-01-01

    E. Durkheim (1897) suggested that the societal rate of suicide might be explained by societal factors, such as marriage, divorce, and birth rates. The current study examined male prison suicide rates and suicide rates for men in the total population in the United States and found that variables based on Durkheim's theory of suicide explained…

  7. UNBIASED MOMENT-RATE SPECTRA AND ABSOLUTE SITE EFFECTS IN THE KACHCHH BASIN, INDIA, FROM THE ANALYSIS OF THE AFTERSHOCKS OF THE 2001 Mw 7.6 BHUJ EARTHQUAKE

    SciTech Connect

    Malagnini, L; Bodin, P; Mayeda, K; Akinci, A

    2005-05-04

    What can be learned about absolute site effects on ground motions and about earthquake source spectra from recordings at temporary seismic stations, none of which could be considered a 'reference' (hard rock) site, for which no geotechnical information is available, in a very poorly instrumented region? This challenge motivated our current study of aftershocks of the 2001 Mw 7.6 Bhuj earthquake, in Western India. Crustal attenuation and spreading relationships based on the same data used here were determined in an earlier study. In this paper we decouple the ambiguity between absolute source radiation and site effects by first computing robust estimates of moment-rate spectra of about 200 aftershocks in each of two depth ranges. Using these new estimates of sourcespectra, and our understanding of regional wave propagation, we extract the absolute site terms of the sites of the temporary deployment. Absolute site terms (one for each component of the ground motion, for each station) are computed in an average sense, via an L{sub 1}-norm minimization, and results for each site are averaged over wide ranges of azimuths and takeoff angles. The Bhuj deployment is characterized by a variable shallow geology, mostly of soft sedimentary units. Vertical site terms in the region were observed to be almost featureless and slightly < 1.0 within wide frequency ranges. As a result, H/V spectral ratios mimic the absolute behaviors of absolute horizontal site terms, and they generally overpredict them. On the contrary, with respect to the results for sedimentary rock sites (limestone, dolomite) obtained by Malagnini et al. (2004), H/V spectral ratios in their study did not have much in common with absolute horizontal site terms. Spectral ratios between the vector sum of the computed horizontal site terms for the temporary deployment with respect to the same quantity computed at the hardest rock station available, BAC1, are seriously biased by its non-flat, non-unitary site response

  8. An application of Durkheim's theory of suicide to prison suicide rates in the United States.

    PubMed

    Tartaro, Christine; Lester, David

    2005-06-01

    E. Durkheim (1897) suggested that the societal rate of suicide might be explained by societal factors, such as marriage, divorce, and birth rates. The current study examined male prison suicide rates and suicide rates for men in the total population in the United States and found that variables based on Durkheim's theory of suicide explained prison suicide rates better than suicide rates for total population. Possible reasons for these findings are discussed.

  9. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K.; Snyderman, Neal J.; Rowland, Mark S.

    2012-05-15

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  10. Absolute nuclear material assay

    DOEpatents

    Prasad, Manoj K.; Snyderman, Neal J.; Rowland, Mark S.

    2010-07-13

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  11. Elevated rates of atypical handedness in paedophilia: Theory and implications

    PubMed Central

    Fazio, Rachel L.; Lykins, Amy D.; Cantor, James M.

    2014-01-01

    Multiple factors determine handedness including genetics, prenatal stress and post-natal environmental conditions. Atypical handedness, whether manifest as increased sinistrality or decreased strength of lateral preference, has been noted in a wide variety of populations with neuropathology. Those with atypical sexual preferences, specifically paedophilia, also manifest reduced rates of right-handedness. This paper uses the largest sample of phallometrically assessed men to date to establish the pattern of atypical handedness in paedophilia. Specifically, whereas prior research has largely characterized participants dichotomously as right-handed or non-right-handed and/or used self-report of writing hand, this paper expands upon such reports by using the Edinburgh Handedness Inventory's laterality quotient. Participants' handedness and phallometrically assessed sexual preference were analyzed both as continuous and categorical variables, and the responses of those scoring in the range of ambiguous-handedness were evaluated to ascertain whether they were ambiguously handed or more accurately described as mixed-handed. Results indicated those producing scores in the range of ambiguous-handedness demonstrated response patterns consistent with ambiguous-handedness, rather than mixed-handedness. Paedophiles demonstrated high rates of non-right-handedness primarily manifested as sinistrality, whereas those who had a sexual preference for pubescent children evidenced increased ambiguous-handedness. Results support a view of ambiguous-handedness as less pathological than previously hypothesized, and of a neurodevelopmental origin of paraphilic sexual preferences. PMID:24666135

  12. Reaction rates in a theory of mechanochemical pathways.

    PubMed

    Quapp, Wolfgang; Bofill, Josep Maria

    2016-10-15

    If one applies mechanical stress to a molecule in a defined direction then one generates a new, effective potential energy surface (PES). Changes for minima and saddle points (SP) by the stress are described by Newton trajectories on the original PES (Quapp and Bofill, Theor. Chem. Acc. 2016, 135, 113). The barrier of a reaction fully breaks down for the maximal value of the norm of the gradient of the PES along a pulling Newton trajectory. This point is named barrier breakdown point (BBP). Depending on the pulling direction, different reaction pathways can be enforced. If the exit SP of the chosen pulling direction is not the lowest SP of the reactant valley, on the original PES, then the SPs must change their role anywhere: in this case the curve of the log(rate) over the pulling force of a forward reaction can show a deviation from the normal concave curvature. We discuss simple, two-dimensional examples for this model to understand more deeply the mechanochemistry of molecular systems under a mechanical stress. © 2016 Wiley Periodicals, Inc.

  13. Reaction rates in a theory of mechanochemical pathways.

    PubMed

    Quapp, Wolfgang; Bofill, Josep Maria

    2016-10-15

    If one applies mechanical stress to a molecule in a defined direction then one generates a new, effective potential energy surface (PES). Changes for minima and saddle points (SP) by the stress are described by Newton trajectories on the original PES (Quapp and Bofill, Theor. Chem. Acc. 2016, 135, 113). The barrier of a reaction fully breaks down for the maximal value of the norm of the gradient of the PES along a pulling Newton trajectory. This point is named barrier breakdown point (BBP). Depending on the pulling direction, different reaction pathways can be enforced. If the exit SP of the chosen pulling direction is not the lowest SP of the reactant valley, on the original PES, then the SPs must change their role anywhere: in this case the curve of the log(rate) over the pulling force of a forward reaction can show a deviation from the normal concave curvature. We discuss simple, two-dimensional examples for this model to understand more deeply the mechanochemistry of molecular systems under a mechanical stress. © 2016 Wiley Periodicals, Inc. PMID:27556915

  14. "Depletion": A Game with Natural Rules for Teaching Reaction Rate Theory.

    ERIC Educational Resources Information Center

    Olbris, Donald J.; Herzfeld, Judith

    2002-01-01

    Depletion is a game that reinforces central concepts of reaction rate theory through simulation. Presents the game with a set of follow-up questions suitable for either a quiz or discussion. Also describes student reaction to the game. (MM)

  15. Absolute instability of the Gaussian wake profile

    NASA Technical Reports Server (NTRS)

    Hultgren, Lennart S.; Aggarwal, Arun K.

    1987-01-01

    Linear parallel-flow stability theory has been used to investigate the effect of viscosity on the local absolute instability of a family of wake profiles with a Gaussian velocity distribution. The type of local instability, i.e., convective or absolute, is determined by the location of a branch-point singularity with zero group velocity of the complex dispersion relation for the instability waves. The effects of viscosity were found to be weak for values of the wake Reynolds number, based on the center-line velocity defect and the wake half-width, larger than about 400. Absolute instability occurs only for sufficiently large values of the center-line wake defect. The critical value of this parameter increases with decreasing wake Reynolds number, thereby indicating a shrinking region of absolute instability with decreasing wake Reynolds number. If backflow is not allowed, absolute instability does not occur for wake Reynolds numbers smaller than about 38.

  16. First experimental determination of the absolute gas-phase rate coefficient for the reaction of OH with 4-hydroxy-2-butanone (4H2B) at 294 K by vapor pressure measurements of 4H2B.

    PubMed

    El Dib, Gisèle; Sleiman, Chantal; Canosa, André; Travers, Daniel; Courbe, Jonathan; Sawaya, Terufat; Mokbel, Ilham; Chakir, Abdelkhaleq

    2013-01-10

    The reaction of the OH radicals with 4-hydroxy-2-butanone was investigated in the gas phase using an absolute rate method at room temperature and over the pressure range 10-330 Torr in He and air as diluent gases. The rate coefficients were measured using pulsed laser photolysis (PLP) of H(2)O(2) to produce OH and laser induced fluorescence (LIF) to measure the OH temporal profile. An average value of (4.8 ± 1.2) × 10(-12) cm(3) molecule(-1) s(-1) was obtained. The OH quantum yield following the 266 nm pulsed laser photolysis of 4-hydroxy-2-butanone was measured for the first time and found to be about 0.3%. The investigated kinetic study required accurate measurements of the vapor pressure of 4-hydroxy-2-butanone, which was measured using a static apparatus. The vapor pressure was found to range from 0.056 to 7.11 Torr between 254 and 323 K. This work provides the first absolute rate coefficients for the reaction of 4-hydroxy-2-butanone with OH and the first experimental saturated vapor pressures of the studied compound below 311 K. The obtained results are compared to those of the literature and the effects of the experimental conditions on the reactivity are examined. The calculated tropospheric lifetime obtained in this work suggests that once emitted into the atmosphere, 4H2B may contribute to the photochemical pollution in a local or regional scale.

  17. Absolute biological needs.

    PubMed

    McLeod, Stephen

    2014-07-01

    Absolute needs (as against instrumental needs) are independent of the ends, goals and purposes of personal agents. Against the view that the only needs are instrumental needs, David Wiggins and Garrett Thomson have defended absolute needs on the grounds that the verb 'need' has instrumental and absolute senses. While remaining neutral about it, this article does not adopt that approach. Instead, it suggests that there are absolute biological needs. The absolute nature of these needs is defended by appeal to: their objectivity (as against mind-dependence); the universality of the phenomenon of needing across the plant and animal kingdoms; the impossibility that biological needs depend wholly upon the exercise of the abilities characteristic of personal agency; the contention that the possession of biological needs is prior to the possession of the abilities characteristic of personal agency. Finally, three philosophical usages of 'normative' are distinguished. On two of these, to describe a phenomenon or claim as 'normative' is to describe it as value-dependent. A description of a phenomenon or claim as 'normative' in the third sense does not entail such value-dependency, though it leaves open the possibility that value depends upon the phenomenon or upon the truth of the claim. It is argued that while survival needs (or claims about them) may well be normative in this third sense, they are normative in neither of the first two. Thus, the idea of absolute need is not inherently normative in either of the first two senses. PMID:23586876

  18. Absolute biological needs.

    PubMed

    McLeod, Stephen

    2014-07-01

    Absolute needs (as against instrumental needs) are independent of the ends, goals and purposes of personal agents. Against the view that the only needs are instrumental needs, David Wiggins and Garrett Thomson have defended absolute needs on the grounds that the verb 'need' has instrumental and absolute senses. While remaining neutral about it, this article does not adopt that approach. Instead, it suggests that there are absolute biological needs. The absolute nature of these needs is defended by appeal to: their objectivity (as against mind-dependence); the universality of the phenomenon of needing across the plant and animal kingdoms; the impossibility that biological needs depend wholly upon the exercise of the abilities characteristic of personal agency; the contention that the possession of biological needs is prior to the possession of the abilities characteristic of personal agency. Finally, three philosophical usages of 'normative' are distinguished. On two of these, to describe a phenomenon or claim as 'normative' is to describe it as value-dependent. A description of a phenomenon or claim as 'normative' in the third sense does not entail such value-dependency, though it leaves open the possibility that value depends upon the phenomenon or upon the truth of the claim. It is argued that while survival needs (or claims about them) may well be normative in this third sense, they are normative in neither of the first two. Thus, the idea of absolute need is not inherently normative in either of the first two senses.

  19. Ordered rate constitutive theories for thermoviscoelastic solids without memory in Lagrangian description using Gibbs potential

    NASA Astrophysics Data System (ADS)

    Surana, K. S.; Reddy, J. N.; Nunez, D.

    2015-05-01

    The paper presents rate constitutive theories for finite deformation of homogeneous, isotropic, compressible, and incompressible thermoviscoelastic solids without memory in Lagrangian description derived using the second law of thermodynamics expressed in terms of Gibbs potential Ψ. To ensure thermodynamic equilibrium during evolution, the rate constitutive theories must be derived using entropy inequality [as other three conservation and balance laws are do not provide a mechanism for deriving constitutive theories for the deforming matter (Surana in Advanced mechanics of continuua. in preparation, 2014)]. The two forms of the entropy inequality in Ψ derived using conjugate pairs , : first Piola-Kirchhoff stress tensor and material derivative of the Jacobian of deformation and , ; second Piola-Kirchhoff stress tensor and material derivative of Green's strain tensor are precisely equivalent as the conjugate pairs , and , are transformable from each other. In the present work, we use , as conjugate pair. Two possible choices of dependent variables in the constitutive theories: Ψ, η, , and Ψ, η, , (in which η is entropy density and is heat vector) are explored based on conservation and balance laws. It is shown that the choice of Ψ, η, , is essential when the entropy inequality is expressed in terms of Ψ. The arguments of these dependent variables are decided based on desired physics. Viscoelastic behavior requires considerations of at least and (or ) in the constitutive theories. We generalize and consider strain rates ; i = 0, 1, …, n-1 as arguments of the dependent variables in the derivations of the ordered rate theories of up to orders n. At the onset, , ; i = 0, 1, …, n-1, θ and are considered as arguments of Ψ, η, and . When is substituted in the entropy inequality, the resulting conditions eliminate η as a dependent variable, reduce arguments of some of the dependent variables in the constitutive theory etc. but do not provide a mechanism to

  20. Comparison of field theory models of interest rates with market data.

    PubMed

    Baaquie, Belal E; Srikant, Marakani

    2004-03-01

    We calibrate and test various variants of field theory models of the interest rate with data from Eurodollar futures. Models based on psychological factors are seen to provide the best fit to the market. We make a model independent determination of the volatility function of the forward rates from market data.

  1. Comparison of field theory models of interest rates with market data

    NASA Astrophysics Data System (ADS)

    Baaquie, Belal E.; Srikant, Marakani

    2004-03-01

    We calibrate and test various variants of field theory models of the interest rate with data from Eurodollar futures. Models based on psychological factors are seen to provide the best fit to the market. We make a model independent determination of the volatility function of the forward rates from market data.

  2. Chemical Reaction Rate Coefficients from Ring Polymer Molecular Dynamics: Theory and Practical Applications

    DOE PAGES

    Suleimanov, Yury V.; Aoiz, F. Javier; Guo, Hua

    2016-11-03

    This Feature Article presents an overview of the current status of ring polymer molecular dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quantum transition-state theory. We then focus on its practical applications to prototypical chemical reactions in the gas phase, which demonstrate how accurate and reliable RPMD is for calculating thermal chemical reaction rate coefficients in multifarious cases. This review serves as an important checkpoint in RPMD rate theory development, which shows that RPMD is shifting from being just one of recent novel ideas to a well-established and validated alternative to conventional techniques formore » calculating thermal chemical rate coefficients. We also hope it will motivate further applications of RPMD to various chemical reactions.« less

  3. Absolute rate constant for the reaction of atomic chlorine with hydrogen peroxide vapor over the temperature range 265-400 K

    NASA Technical Reports Server (NTRS)

    Michael, J. V.; Whytock, D. A.; Lee, J. H.; Payne, W. A.; Stief, L. J.

    1977-01-01

    Rate constants for the reaction of atomic chlorine with hydrogen peroxide were measured from 265-400 K using the flash photolysis-resonance fluorescence technique. Analytical techniques were developed to measure H2O2 under reaction conditions. Due to ambiguity in the interpretation of the analytical results, the data combine to give two equally acceptable representations of the temperature dependence. The results are compared to previous work at 298 K and are theoretically discussed in terms of the mechanism of the reaction. Additional experiments on the H + H2O2 reaction at 298 and 359 K are compared with earlier results from this laboratory and give a slightly revised bimolecular rate constant.

  4. Universal Cosmic Absolute and Modern Science

    NASA Astrophysics Data System (ADS)

    Kostro, Ludwik

    The official Sciences, especially all natural sciences, respect in their researches the principle of methodic naturalism i.e. they consider all phenomena as entirely natural and therefore in their scientific explanations they do never adduce or cite supernatural entities and forces. The purpose of this paper is to show that Modern Science has its own self-existent, self-acting, and self-sufficient Natural All-in Being or Omni-Being i.e. the entire Nature as a Whole that justifies the scientific methodic naturalism. Since this Natural All-in Being is one and only It should be considered as the own scientifically justified Natural Absolute of Science and should be called, in my opinion, the Universal Cosmic Absolute of Modern Science. It will be also shown that the Universal Cosmic Absolute is ontologically enormously stratified and is in its ultimate i.e. in its most fundamental stratum trans-reistic and trans-personal. It means that in its basic stratum. It is neither a Thing or a Person although It contains in Itself all things and persons with all other sentient and conscious individuals as well, On the turn of the 20th century the Science has begun to look for a theory of everything, for a final theory, for a master theory. In my opinion the natural Universal Cosmic Absolute will constitute in such a theory the radical all penetrating Ultimate Basic Reality and will substitute step by step the traditional supernatural personal Absolute.

  5. Optomechanics for absolute rotation detection

    NASA Astrophysics Data System (ADS)

    Davuluri, Sankar

    2016-07-01

    In this article, we present an application of optomechanical cavity for the absolute rotation detection. The optomechanical cavity is arranged in a Michelson interferometer in such a way that the classical centrifugal force due to rotation changes the length of the optomechanical cavity. The change in the cavity length induces a shift in the frequency of the cavity mode. The phase shift corresponding to the frequency shift in the cavity mode is measured at the interferometer output to estimate the angular velocity of absolute rotation. We derived an analytic expression to estimate the minimum detectable rotation rate in our scheme for a given optomechanical cavity. Temperature dependence of the rotation detection sensitivity is studied.

  6. A numerical basis for strain-gradient plasticity theory: Rate-independent and rate-dependent formulations

    NASA Astrophysics Data System (ADS)

    Nielsen, K. L.; Niordson, C. F.

    2014-02-01

    A numerical model formulation of the higher order flow theory (rate-independent) by Fleck and Willis [2009. A mathematical basis for strain-gradient plasticity theory - part II: tensorial plastic multiplier. Journal of the Mechanics and Physics of Solids 57, 1045-1057.], that allows for elastic-plastic loading/unloading and the interaction of multiple plastic zones, is proposed. The predicted model response is compared to the corresponding rate-dependent version of visco-plastic origin, and coinciding results are obtained in the limit of small strain-rate sensitivity. First, (i) the evolution of a single plastic zone is analyzed to illustrate the agreement with earlier published results, whereafter examples of (ii) multiple plastic zone interaction, and (iii) elastic-plastic loading/unloading are presented. Here, the simple shear problem of an infinite slab constrained between rigid plates is considered, and the effect of strain gradients, strain hardening and rate sensitivity is brought out. For clarity of results, a 1D model is constructed following a procedure suitable for generalization to 2D and 3D.

  7. Gender equality and women's absolute status: a test of the feminist models of rape.

    PubMed

    Martin, Kimberly; Vieraitis, Lynne M; Britto, Sarah

    2006-04-01

    Feminist theory predicts both a positive and negative relationship between gender equality and rape rates. Although liberal and radical feminist theory predicts that gender equality should ameliorate rape victimization, radical feminist theorists have argued that gender equality may increase rape in the form of male backlash. Alternatively, Marxist criminologists focus on women's absolute socioeconomic status rather than gender equality as a predictor of rape rates, whereas socialist feminists combine both radical and Marxist perspectives. This study uses factor analysis to overcome multicollinearity limitations of past studies while exploring the relationship between women's absolute and relative socioeconomic status on rape rates in major U.S. cities using 2000 census data. The findings indicate support for both the Marxist and radical feminist explanations of rape but no support for the ameliorative hypothesis. These findings support a more inclusive socialist feminist theory that takes both Marxist and radical feminist hypotheses into account. PMID:16567334

  8. Gender equality and women's absolute status: a test of the feminist models of rape.

    PubMed

    Martin, Kimberly; Vieraitis, Lynne M; Britto, Sarah

    2006-04-01

    Feminist theory predicts both a positive and negative relationship between gender equality and rape rates. Although liberal and radical feminist theory predicts that gender equality should ameliorate rape victimization, radical feminist theorists have argued that gender equality may increase rape in the form of male backlash. Alternatively, Marxist criminologists focus on women's absolute socioeconomic status rather than gender equality as a predictor of rape rates, whereas socialist feminists combine both radical and Marxist perspectives. This study uses factor analysis to overcome multicollinearity limitations of past studies while exploring the relationship between women's absolute and relative socioeconomic status on rape rates in major U.S. cities using 2000 census data. The findings indicate support for both the Marxist and radical feminist explanations of rape but no support for the ameliorative hypothesis. These findings support a more inclusive socialist feminist theory that takes both Marxist and radical feminist hypotheses into account.

  9. Comparison between theory and observation of the frequency sweep rates of equatorial rising tone chorus

    NASA Astrophysics Data System (ADS)

    Tao, X.; Li, W.; Bortnik, J.; Thorne, R. M.; Angelopoulos, V.

    2012-04-01

    Theoretical predictions for chorus frequency sweep rates by Helliwell and Trakhtengerts are compared with observations from the THEMIS satellites and a previously published dataset from the Cluster satellites. We first extend the theories to use a general magnetic field model to include the effects of magnetic local time and geomagnetic activity, and then show that both theories give the same dependence of the frequency sweep rate on background plasma parameters. The theoretical scaling of frequency sweep rates are shown to agree very well with observations. We demonstrate that for a given equatorial magnetic field strength, nightside and dawnside chorus waves have higher frequency sweep rates because of the stretching of the magnetic field, while dayside chorus waves have lower frequency sweep rates because of the compression of the field. Increasing geomagnetic activity will enhance the asymmetry by increasing the day-night asymmetry of the background field. The results are important for understanding the generation mechanism of chorus waves.

  10. Absolute rate constants of Mo 2 (X 1Σg+) and Mo (a 7S 3) with O 2 at room temperature

    NASA Astrophysics Data System (ADS)

    Wakabayashi, Tomohiro; Ishikawa, Yo-ichi; Arai, Shigeyoshi

    1996-07-01

    The gas phase reactivities of ground-state molybdenum dimers and atoms for oxygen molecule have been investigated in a mass-flow controlled cell. Transient concentration of Mo 2 (X 1Σg+, ν = 0) or Mo (a 7S 3) produced by 355 nm multiphoton dissociation (MPD) of Mo(CO) 6 was monitored by a laser-induced fluorescence (LIF). The predictable disturbance caused by free electrons inevitably produced in the MPD of metal carbonyls was examined by an appropriate addition of SF 6 as an electron scavenger. The pseudo-first order decay rates of these molybdenum species were found to depend linearly on O 2 pressure both in the absence and in the presence of SF 6, giving the bimolecular rate constants of (1.1 ± 0.1) × 10 -11 for Mo 2 (X 1Σg+, ν = 0) + O 2 and (1.2 ± 0.1) × 10 -10 cm 3 molecule -1 s -1 for Mo (a 7S 3) + O 2 under the 6.5 Torr total pressure with balance Ar at room temperature.

  11. Ordered rate constitutive theories for thermoviscoelastic solids with memory in Lagrangian description using Gibbs potential

    NASA Astrophysics Data System (ADS)

    Surana, K. S.; Reddy, J. N.; Nunez, Daniel

    2015-11-01

    This paper presents ordered rate constitutive theories of orders m and n, i.e., ( m, n) for finite deformation of homogeneous, isotropic, compressible and incompressible thermoviscoelastic solids with memory in Lagrangian description using entropy inequality in Gibbs potential Ψ as an alternate approach of deriving constitutive theories using entropy inequality in terms of Helmholtz free energy density Φ. Second Piola-Kirchhoff stress σ [0] and Green's strain tensor ɛ [0] are used as conjugate pair. We consider Ψ, heat vector q, entropy density η and rates of upto orders m and n of σ [0] and ɛ [0], i.e., σ [ i]; i = 0, 1, . . . , m and ɛ [ j]; j = 0, 1, . . . , n. We choose Ψ, ɛ [ n], q and η as dependent variables in the constitutive theories with ɛ [ j]; j = 0, 1, . . . , n - 1, σ [ i]; i = 0, 1, . . . , m, temperature gradient g and temperature θ as their argument tensors. Rationale for this choice is explained in the paper. Entropy inequality, decomposition of σ [0] into equilibrium and deviatoric stresses, the conditions resulting from entropy inequality and the theory of generators and invariants are used in the derivations of ordered rate constitutive theories of orders m and n in stress and strain tensors. Constitutive theories for the heat vector q (of up to orders m and n - 1) that are consistent (in terms of the argument tensors) with the constitutive theories for ɛ [ n] (of up to orders m and n) are also derived. Many simplified forms of the rate theories of orders ( m, n) are presented. Material coefficients are derived by considering Taylor series expansions of the coefficients in the linear combinations representing ɛ [ n] and q using the combined generators of the argument tensors about a known configuration {{\\underline{\\varOmega}}} in the combined invariants of the argument tensors and temperature. It is shown that the rate constitutive theories of order one ( m = 1, n = 1) when further simplified result in constitutive

  12. The absolute path command

    2012-05-11

    The ap command traveres all symlinks in a given file, directory, or executable name to identify the final absolute path. It can print just the final path, each intermediate link along with the symlink chan, and the permissions and ownership of each directory component in the final path. It has functionality similar to "which", except that it shows the final path instead of the first path. It is also similar to "pwd", but it canmore » provide the absolute path to a relative directory from the current working directory.« less

  13. The absolute path command

    SciTech Connect

    Moody, A.

    2012-05-11

    The ap command traveres all symlinks in a given file, directory, or executable name to identify the final absolute path. It can print just the final path, each intermediate link along with the symlink chan, and the permissions and ownership of each directory component in the final path. It has functionality similar to "which", except that it shows the final path instead of the first path. It is also similar to "pwd", but it can provide the absolute path to a relative directory from the current working directory.

  14. A method for calculating strain energy release rate based on beam theory

    NASA Technical Reports Server (NTRS)

    Sun, C. T.; Pandey, R. K.

    1993-01-01

    The Timoshenko beam theory was used to model cracked beams and to calculate the total strain energy release rate. The root rotation of the beam segments at the crack tip were estimated based on an approximate 2D elasticity solution. By including the strain energy released due to the root rotations of the beams during crack extension, the strain energy release rate obtained using beam theory agrees very well with the 2D finite element solution. Numerical examples were given for various beam geometries and loading conditions. Comparisons with existing beam models were also given.

  15. Improved method for calculating strain energy release rate based on beam theory

    NASA Technical Reports Server (NTRS)

    Sun, C. T.; Pandey, R. K.

    1994-01-01

    The Timoshenko beam theory was used to model cracked beams and to calculate the total strain-energy release rate. The root rotations of the beam segments at the crack tip were estimated based on an approximate two-dimensional elasticity solution. By including the strain energy released due to the root rotations of the beams during crack extension, the strain-energy release rate obtained using beam theory agrees very well with the two-dimensional finite element solution. Numerical examples were given for various beam geometries and loading conditions. Comparisons with existing beam models were also given.

  16. A test of the melioration theory of matching.

    PubMed

    Williams, B A; Royalty, P

    1989-04-01

    Melioration theory entails that matching in concurrent schedules occurs because the subjects equalize the local reinforcement rates (reinforcers received for each alternative divided by the time allocated to each alternative). The role of local reinforcement rates was tested by using multiple schedules in which one component involved an alternative with a high absolute rate of reinforcement and a low local reinforcement rate while the second component involved an alternative with a low absolute rate and a high local rate. These alternatives were then presented simultaneously in probe trials to determine preference between them. Contrary to melioration, the absolute rate of reinforcement, not the local rate, was the controlling variable.

  17. Can attentional theory explain the inverse base rate effect? Comment on Kruschke (2001).

    PubMed

    Winman, Anders; Wennerholm, Pia; Juslin, Peter

    2003-11-01

    In J. K. Kruschke's (2001; see record 2001-18940-005) study, it is argued that attentional theory is the sole satisfactory explanation of the inverse base rate effect and that eliminative inference (P. Juslin, P. Wennerholm, & A. Winman, 2001; see record 2001-07828-016) plays no role in the phenomenon. In this comment, the authors demonstrate that, in contrast to the central tenets of attentional theory, (a) rapid attention shifts as implemented in ADIT decelerate learning in the inverse base-rate task and (b) the claim that the inverse base-rate effect is directly caused by an attentional asymmetry is refuted by data. It is proposed that a complete account of the inverse base-rate effect needs to integrate attention effects with inference rules that are flexibly used for both induction and elimination. PMID:14622069

  18. Quantitative treatment of the creep of metals by dislocation and rate-process theories

    NASA Technical Reports Server (NTRS)

    Nowick, A S; Machlin, E S

    1946-01-01

    An equation for the steady-state rate of creep has been derived by applying the theory of dislocations to the creep of pure metals. The form of this equation is in agreement with empirical equations describing creep rates. The theory was also used to predict the dependence of steady-state rate of creep on physical constants of the material and good agreement was obtained with data in the literature for pure annealed metals. The rate of creep was found to decrease with increasing modulus of rigidity. This relation suggest that one of the requirements for a heat-resisting alloy is that its matrix be a metal that has a high modulus of rigidity and therefore a high modulus of elasticity.

  19. Which Is Better at Predicting Quantum-Tunneling Rates: Quantum Transition-State Theory or Free-Energy Instanton Theory?

    PubMed

    Zhang, Yanchuan; Stecher, Thomas; Cvitaš, Marko T; Althorpe, Stuart C

    2014-11-20

    Quantum transition-state theory (QTST) and free-energy instanton theory (FEIT) are two closely related methods for estimating the quantum rate coefficient from the free-energy at the reaction barrier. In calculations on one-dimensional models, FEIT typically gives closer agreement than QTST with the exact quantum results at all temperatures below the crossover to deep tunneling, suggesting that FEIT is a better approximation than QTST in this regime. Here we show that this simple trend does not hold for systems of greater dimensionality. We report tests on several collinear and three-dimensional reactions, in which QTST outperforms FEIT over a range of temperatures below crossover, which can extend down to half the crossover temperature (below which FEIT outperforms QTST). This suggests that QTST-based methods such as ring-polymer molecular dynamics (RPMD) may often give closer agreement with the exact quantum results than FEIT.

  20. Experimental verification of vapor deposition rate theory in high velocity burner rigs

    NASA Technical Reports Server (NTRS)

    Gokoglu, Suleyman A.; Santoro, Gilbert J.

    1985-01-01

    The main objective has been the experimental verification of the corrosive vapor deposition theory in high-temperature, high-velocity environments. Towards this end a Mach 0.3 burner-rig appartus was built to measure deposition rates from salt-seeded (mostly Na salts) combustion gases on the internally cooled cylindrical collector. Deposition experiments are underway.

  1. Generalization of the Activated Complex Theory of Reaction Rates. II. Classical Mechanical Treatment

    DOE R&D Accomplishments Database

    Marcus, R. A.

    1964-01-01

    In its usual classical form activated complex theory assumes a particular expression for the kinetic energy of the reacting system -- one associated with a rectilinear motion along the reaction coordinate. The derivation of the rate expression given in the present paper is based on the general kinetic energy expression.

  2. Two Approaches to Estimation of Classification Accuracy Rate under Item Response Theory

    ERIC Educational Resources Information Center

    Lathrop, Quinn N.; Cheng, Ying

    2013-01-01

    Within the framework of item response theory (IRT), there are two recent lines of work on the estimation of classification accuracy (CA) rate. One approach estimates CA when decisions are made based on total sum scores, the other based on latent trait estimates. The former is referred to as the Lee approach, and the latter, the Rudner approach,…

  3. Implementation of Laminate Theory Into Strain Rate Dependent Micromechanics Analysis of Polymer Matrix Composites

    NASA Technical Reports Server (NTRS)

    Goldberg, Robert K.

    2000-01-01

    A research program is in progress to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to impact loads. Previously, strain rate dependent inelastic constitutive equations developed to model the polymer matrix were implemented into a mechanics of materials based micromechanics method. In the current work, the computation of the effective inelastic strain in the micromechanics model was modified to fully incorporate the Poisson effect. The micromechanics equations were also combined with classical laminate theory to enable the analysis of symmetric multilayered laminates subject to in-plane loading. A quasi-incremental trapezoidal integration method was implemented to integrate the constitutive equations within the laminate theory. Verification studies were conducted using an AS4/PEEK composite using a variety of laminate configurations and strain rates. The predicted results compared well with experimentally obtained values.

  4. The Absolute Rates of the Solution Phase Addition of Atomic Hydrogen to a Vinyl Ether and a Vinyl Ester. The Effect of Oxygen Substitution on Hydrogen Atom Reactivity with Olefins

    SciTech Connect

    Tanner, D. D.; Kandanarachchi, P.; Das, N. C.; Franz, James A.

    2003-04-08

    The reactions of vinyl butyl ether and vinyl butyrate with atomic hydrogen and deuterium lead to addition of atomic hydrogen to the terminal position of the olefins. This observation is consistent with the reactions carried out earlier with other olefins. Both the absolute rates of addition to vinylbutyl ether and vinyl butyrate in acetone and hexane were carried out at several temperatures. The relative rates are consistent with only modest stabilization of the transition state of the radical adduct by the ??-o substituent compared with hydrogen atom addition to 1-octene. The relative rates measured in acetone and hexane indicate no significant differential solvation of ground state relative to the transition structures of the hydrogen atom addition. The kinetics reveal that the early transition states of hydrogen atom addition exhibit little selectivity (vinyl ether versus simple olefin) in either abstraction of hydrogen ??- to the oxygen or by terminal addition to the olefinic ether, reflecting the modest influence of the increased enthalpy of reaction associated with resonance stabilization by the oxygen substituent at the developing radical site.

  5. Absolute Rates of the Solution-Phase Addition of Atomic Hydrogen to a Vinyl Ether and a Vinyl Ester: Effect of Oxygen Substitution on Hydrogen Atom Reactivity with Olefins

    SciTech Connect

    Tanner, D D.; Kandanarachchi, P; Das, N. C.; Franz, James A.

    2003-04-08

    The reactions of vinyl butyl ether and vinyl butyrate with atomic hydrogen and deuterium lead to addition at the terminal position of the olefins. This observation is consistent with the reactions carried out earlier with other olefins. Both of the absolute rates of addition to vinylbutyl ether and vinyl butyrate, in acetone and hexane, were measured at several temperatures. The relative rates are consistent with only modest stabilization of the transition state of the radical adduct by the R-O substituent compared with that of hydrogen atom addition to 1-octene. The relative rates measured in acetone and hexane indicate no significant differential solvation of the ground state relative to the transition structures of the hydrogen atom addition. The kinetics reveal that the early transition states for hydrogen atom addition exhibit little selectivity (vinyl ether versus simple olefin) in either the abstraction of hydrogen R to the oxygen or by terminal addition to the olefinic ether and reflects the modest influence of the increased enthalpy of reaction associated with resonance stabilization by the oxygen substituent at the developing radical site.

  6. Hidden Fermi liquid, scattering rate saturation, and Nernst effect: a dynamical mean-field theory perspective.

    PubMed

    Xu, Wenhu; Haule, Kristjan; Kotliar, Gabriel

    2013-07-19

    We investigate the transport properties of a correlated metal within dynamical mean-field theory. Canonical Fermi liquid behavior emerges only below a very low temperature scale T(FL). Surprisingly the quasiparticle scattering rate follows a quadratic temperature dependence up to much higher temperatures and crosses over to saturated behavior around a temperature scale T(sat). We identify these quasiparticles as constituents of the hidden Fermi liquid. The non-Fermi-liquid transport above T(FL), in particular the linear-in-T resistivity, is shown to be a result of a strongly temperature dependent band dispersion. We derive simple expressions for the resistivity, Hall angle, thermoelectric power and Nernst coefficient in terms of a temperature dependent renormalized band structure and the quasiparticle scattering rate. We discuss possible tests of the dynamical mean-field theory picture of transport using ac measurements. PMID:23909344

  7. Hidden Fermi liquid, scattering rate saturation, and Nernst effect: a dynamical mean-field theory perspective.

    PubMed

    Xu, Wenhu; Haule, Kristjan; Kotliar, Gabriel

    2013-07-19

    We investigate the transport properties of a correlated metal within dynamical mean-field theory. Canonical Fermi liquid behavior emerges only below a very low temperature scale T(FL). Surprisingly the quasiparticle scattering rate follows a quadratic temperature dependence up to much higher temperatures and crosses over to saturated behavior around a temperature scale T(sat). We identify these quasiparticles as constituents of the hidden Fermi liquid. The non-Fermi-liquid transport above T(FL), in particular the linear-in-T resistivity, is shown to be a result of a strongly temperature dependent band dispersion. We derive simple expressions for the resistivity, Hall angle, thermoelectric power and Nernst coefficient in terms of a temperature dependent renormalized band structure and the quasiparticle scattering rate. We discuss possible tests of the dynamical mean-field theory picture of transport using ac measurements.

  8. Theory of absorption rate of carriers in fused silica under intense laser irradiation

    SciTech Connect

    Deng, Hongxiang; Xiang, Xia; Zheng, WG; Yuan, XD; Wu, SY; Jiang, XD; Gao, Fei; Zu, Xiaotao T.; Sun, Kai

    2010-11-15

    A quantum non-perturbation theory for phonon-assisted photon absorption of conduction band electron in intense laser was developed. By carrying out the calculation in fused silica at wavelengths from ultraviolet to infrared in terawatt intensity laser, we show that the Non-perturbation approach can make a uniform description of energy absorption rate at both short wavelengths and long wavelengths on TW / cm2 intensity laser.

  9. Generalization of the Activated Complex Theory of Reaction Rates. I. Quantum Mechanical Treatment

    DOE R&D Accomplishments Database

    Marcus, R. A.

    1964-01-01

    In its usual form activated complex theory assumes a quasi-equilibrium between reactants and activated complex, a separable reaction coordinate, a Cartesian reaction coordinate, and an absence of interaction of rotation with internal motion in the complex. In the present paper a rate expression is derived without introducing the Cartesian assumption. The expression bears a formal resemblance to the usual one and reduces to it when the added assumptions of the latter are introduced.

  10. Derivation of the chemical-equilibrium rate coefficient using scattering theory

    NASA Technical Reports Server (NTRS)

    Mickens, R. E.

    1977-01-01

    Scattering theory is applied to derive the equilibrium rate coefficient for a general homogeneous chemical reaction involving ideal gases. The reaction rate is expressed in terms of the product of a number of normalized momentum distribution functions, the product of the number of molecules with a given internal energy state, and the spin-averaged T-matrix elements. An expression for momentum distribution at equilibrium for an arbitrary molecule is presented, and the number of molecules with a given internal-energy state is represented by an expression which includes the partition function.

  11. When learning order affects sensitivity to base rates: challenges for theories of causal learning.

    PubMed

    Reips, Ulf-Dietrich; Waldmann, Michael R

    2008-01-01

    In three experiments we investigated whether two procedures of acquiring knowledge about the same causal structure, predictive learning (from causes to effects) versus diagnostic learning (from effects to causes), would lead to different base-rate use in diagnostic judgments. Results showed that learners are capable of incorporating base-rate information in their judgments regardless of the direction in which the causal structure is learned. However, this only holds true for relatively simple scenarios. When complexity was increased, base rates were only used after diagnostic learning, but were largely neglected after predictive learning. It could be shown that this asymmetry is not due to a failure of encoding base rates in predictive learning because participants in all conditions were fairly good at reporting them. The findings present challenges for all theories of causal learning.

  12. Phenotypic engineering of sperm-production rate confirms evolutionary predictions of sperm competition theory

    PubMed Central

    Sekii, Kiyono; Vizoso, Dita B.; Kuales, Georg; De Mulder, Katrien; Ladurner, Peter; Schärer, Lukas

    2013-01-01

    Sperm production is a key male reproductive trait and an important parameter in sperm competition theory. Under sperm competition, paternity success is predicted to depend strongly on male allocation to sperm production. Furthermore, because sperm production is inherently costly, individuals should economize in sperm expenditure, and conditional adjustment of the copulation frequency according to their sperm availability may be expected. However, experimental studies showing effects of sperm production on mating behaviour and paternity success have so far been scarce, mainly because sperm production is difficult to manipulate directly in animals. Here, we used phenotypic engineering to manipulate sperm-production rate, by employing dose-dependent RNA interference (RNAi) of a spermatogenesis-specific gene, macbol1, in the free-living flatworm Macrostomum lignano. We demonstrate (i) that our novel dose-dependent RNAi approach allows us to induce high variability in sperm-production rate; (ii) that a reduced sperm-production rate is associated with a decreased copulation frequency, suggesting conditional adjustment of mating behaviour; and (iii) that both sperm production and copulation frequency are important determinants of paternity success in a competitive situation, as predicted by sperm competition theory. Our study clearly documents the potential of phenotypic engineering via dose-dependent RNAi to test quantitative predictions of evolutionary theory. PMID:23446521

  13. Origins of Deviations from Transition-State Theory: Formulating a New Kinetic Rate Law for Dissolution of Silicates

    SciTech Connect

    Andreas Luttge; Jonathan Icenhower

    2005-12-20

    Present models for dissolution of silicate minerals and glasses, based on Transition-State Theory (TST), overestimate the reaction rate as solution compositions approach saturation with respect to the rate-governing solid.

  14. ABSOLUTE POLARIMETRY AT RHIC.

    SciTech Connect

    OKADA; BRAVAR, A.; BUNCE, G.; GILL, R.; HUANG, H.; MAKDISI, Y.; NASS, A.; WOOD, J.; ZELENSKI, Z.; ET AL.

    2007-09-10

    Precise and absolute beam polarization measurements are critical for the RHIC spin physics program. Because all experimental spin-dependent results are normalized by beam polarization, the normalization uncertainty contributes directly to final physics uncertainties. We aimed to perform the beam polarization measurement to an accuracy Of {Delta}P{sub beam}/P{sub beam} < 5%. The absolute polarimeter consists of Polarized Atomic Hydrogen Gas Jet Target and left-right pairs of silicon strip detectors and was installed in the RHIC-ring in 2004. This system features proton-proton elastic scattering in the Coulomb nuclear interference (CNI) region. Precise measurements of the analyzing power A{sub N} of this process has allowed us to achieve {Delta}P{sub beam}/P{sub beam} = 4.2% in 2005 for the first long spin-physics run. In this report, we describe the entire set up and performance of the system. The procedure of beam polarization measurement and analysis results from 2004-2005 are described. Physics topics of AN in the CNI region (four-momentum transfer squared 0.001 < -t < 0.032 (GeV/c){sup 2}) are also discussed. We point out the current issues and expected optimum accuracy in 2006 and the future.

  15. Stimulus probability effects in absolute identification.

    PubMed

    Kent, Christopher; Lamberts, Koen

    2016-05-01

    This study investigated the effect of stimulus presentation probability on accuracy and response times in an absolute identification task. Three schedules of presentation were used to investigate the interaction between presentation probability and stimulus position within the set. Data from individual participants indicated strong effects of presentation probability on both proportion correct and response times. The effects were moderated by the ubiquitous stimulus position effect. The accuracy and response time data were predicted by an exemplar-based model of perceptual cognition (Kent & Lamberts, 2005). The bow in discriminability was also attenuated when presentation probability for middle items was relatively high, an effect that will constrain future model development. The study provides evidence for item-specific learning in absolute identification. Implications for other theories of absolute identification are discussed. (PsycINFO Database Record

  16. Quantitative standards for absolute linguistic universals.

    PubMed

    Piantadosi, Steven T; Gibson, Edward

    2014-01-01

    Absolute linguistic universals are often justified by cross-linguistic analysis: If all observed languages exhibit a property, the property is taken to be a likely universal, perhaps specified in the cognitive or linguistic systems of language learners and users. In many cases, these patterns are then taken to motivate linguistic theory. Here, we show that cross-linguistic analysis will very rarely be able to statistically justify absolute, inviolable patterns in language. We formalize two statistical methods--frequentist and Bayesian--and show that in both it is possible to find strict linguistic universals, but that the numbers of independent languages necessary to do so is generally unachievable. This suggests that methods other than typological statistics are necessary to establish absolute properties of human language, and thus that many of the purported universals in linguistics have not received sufficient empirical justification.

  17. Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory

    SciTech Connect

    Richardson, Jeremy O. Thoss, Michael

    2014-08-21

    There is currently much interest in the development of improved trajectory-based methods for the simulation of nonadiabatic processes in complex systems. An important goal for such methods is the accurate calculation of the rate constant over a wide range of electronic coupling strengths and it is often the nonadiabatic, weak-coupling limit, which being far from the Born-Oppenheimer regime, provides the greatest challenge to current methods. We show that in this limit there is an inherent sign problem impeding further development which originates from the use of the usual quantum flux correlation functions, which can be very oscillatory at short times. From linear response theory, we derive a modified flux correlation function for the calculation of nonadiabatic reaction rates, which still rigorously gives the correct result in the long-time limit regardless of electronic coupling strength, but unlike the usual formalism is not oscillatory in the weak-coupling regime. In particular, a trajectory simulation of the modified correlation function is naturally initialized in a region localized about the crossing of the potential energy surfaces. In the weak-coupling limit, a simple link can be found between the dynamics initialized from this transition-state region and an generalized quantum golden-rule transition-state theory, which is equivalent to Marcus theory in the classical harmonic limit. This new correlation function formalism thus provides a platform on which a wide variety of dynamical simulation methods can be built aiding the development of accurate nonadiabatic rate theories applicable to complex systems.

  18. ABSOLUTE PROPERTIES OF THE ECLIPSING BINARY STAR V335 SERPENTIS

    SciTech Connect

    Lacy, Claud H. Sandberg; Fekel, Francis C.; Claret, Antonio E-mail: fekel@evans.tsuniv.edu

    2012-08-15

    V335 Ser is now known to be an eccentric double-lined A1+A3 binary star with fairly deep (0.5 mag) partial eclipses. Previous studies of the system are improved with 7456 differential photometric observations from the URSA WebScope and 5666 from the NFO WebScope, and 67 high-resolution spectroscopic observations from the Tennessee State University 2 m automatic spectroscopic telescope. From dates of minima, the apsidal period is about 880 years. Accurate (better than 2%) masses and radii are determined from analysis of the two new light curves and the radial velocity curve. Theoretical models match the absolute properties of the stars at an age of about 380 Myr, though the age agreement for the two components is poor. Tidal theory correctly confirms that the orbit should still be eccentric, but we find that standard tidal theory is unable to match the observed asynchronous rotation rates of the components' surface layers.

  19. Further laboratory investigations into the Relative Diffusional Growth Rate theory of thunderstorm electrification

    NASA Astrophysics Data System (ADS)

    Emersic, C.; Saunders, C. P. R.

    2010-11-01

    Predictions from the Relative Diffusional Growth Rate theory have allowed us to further examine controls over the sign of graupel charge in laboratory experiments involving collisions between ice crystals and riming graupel. This has been achieved primarily through the use of two-cloud experiments in which a supercooled droplet cloud and an ice crystal cloud are mixed together. A range of crystal-cloud nucleation techniques has enabled substantial control over the preconditioning of ice crystal surface growth rates such as to control transient rapid crystal growth on mixing with a droplet cloud prior to interaction with a riming target. We have qualitatively identified the effects that crystal surface growth rate and size have on the rate of transient rapid growth after mixing. Crystals with higher surface growth rates in environments nearer to water saturation reduce the effect of transient rapid growth on mixing leading to positive graupel charging. Crystals with lower surface growth rates in environments nearer to ice saturation enhance transient rapid growth on mixing - particularly for smaller crystal sizes - to promote negative graupel charging. This is consistent with the Relative Diffusional Growth Rate theory which has been developed from many laboratory studies and shows that in collisions between ice particles, the surface growing faster by diffusion charges positively. Using both the shortest and longest nucleation techniques developed, it was possible to extend negative charging to approximately -20 °C and -14 °C respectively. Being able to control cloud microphysics and determine its effect on charge sign has led to the conclusion that numerical models of thunderstorm charge development need to take account of the wide range of specific microphysical conditions and their effects on cloud particle charging throughout many regions and the lifetime of a thunderstorm. We also provide evidence in support of new interpretations of the results of other

  20. The Study of CIQ Inspection Rate's Setting Problem Based on Gray-fuzzy Comprehensive Evaluation Theory

    NASA Astrophysics Data System (ADS)

    Hui, Liu; Ding, Liu Wen

    Inspection is not only one of the most significant duties, but the important prerequisite for going through Customs. Setting the inspection rate scientifically can not only solve the contradiction between the "check on" and "service" for CIQ (CHINA ENTRY-EXIT INSPECTION AND UARANTINE)site inspection personnel, but can highlight the key of inspection and enhance the ratio of discovering, achieving the optimum allocation of CIQ's limited human and material resources. In this article, from the characteristics of inspection risk evaluation themselves, considering the setting problem of check rate at from the angle of data mining, construct an index system rationally and objectively. On the basis of Fuzzy theory, evaluate the risk of the inward and outward goods with the grey-fuzzy comprehensive evaluation method, and establish the inspection rate scientifically.

  1. Situated learning theory: adding rate and complexity effects via Kauffman's NK model.

    PubMed

    Yuan, Yu; McKelvey, Bill

    2004-01-01

    For many firms, producing information, knowledge, and enhancing learning capability have become the primary basis of competitive advantage. A review of organizational learning theory identifies two approaches: (1) those that treat symbolic information processing as fundamental to learning, and (2) those that view the situated nature of cognition as fundamental. After noting that the former is inadequate because it focuses primarily on behavioral and cognitive aspects of individual learning, this paper argues the importance of studying learning as interactions among people in the context of their environment. It contributes to organizational learning in three ways. First, it argues that situated learning theory is to be preferred over traditional behavioral and cognitive learning theories, because it treats organizations as complex adaptive systems rather than mere information processors. Second, it adds rate and nonlinear learning effects. Third, following model-centered epistemology, it uses an agent-based computational model, in particular a "humanized" version of Kauffman's NK model, to study the situated nature of learning. Using simulation results, we test eight hypotheses extending situated learning theory in new directions. The paper ends with a discussion of possible extensions of the current study to better address key issues in situated learning.

  2. Viscous linear stability of axisymmetric low-density jets: Parameters influencing absolute instability

    NASA Astrophysics Data System (ADS)

    Srinivasan, V.; Hallberg, M. P.; Strykowski, P. J.

    2010-02-01

    Viscous linear stability calculations are presented for model low-density axisymmetric jet flows. Absolute growth transitions for the jet column mode are mapped out in a parametric space including velocity ratio, density ratio, Reynolds number, momentum thickness, and subtle differences between velocity and density profiles. Strictly speaking, the profiles used in most jet stability studies to date are only applicable to unity Prandtl numbers and zero pressure gradient flows—the present work relaxes this requirement. Results reveal how subtle differences between the velocity and density profiles generally used in jet stability theory can dramatically alter the absolute growth rate of the jet column mode in these low-density flows. The results suggest heating/cooling or mass diffusion at the outer nozzle surface can suppress absolute instability and potentially global instability in low-density jets.

  3. ANALYTICAL THEORY FOR THE INITIAL MASS FUNCTION. III. TIME DEPENDENCE AND STAR FORMATION RATE

    SciTech Connect

    Hennebelle, Patrick

    2013-06-20

    The present paper extends our previous theory of the stellar initial mass function (IMF) by including time dependence and by including the impact of the magnetic field. The predicted mass spectra are similar to the time-independent ones with slightly shallower slopes at large masses and peak locations shifted toward smaller masses by a factor of a few. Assuming that star-forming clumps follow Larson-type relations, we obtain core mass functions in good agreement with the observationally derived IMF, in particular, when taking into account the thermodynamics of the gas. The time-dependent theory directly yields an analytical expression for the star formation rate (SFR) at cloud scales. The SFR values agree well with the observational determinations of various Galactic molecular clouds. Furthermore, we show that the SFR does not simply depend linearly on density, as is sometimes claimed in the literature, but also depends strongly on the clump mass/size, which yields the observed scatter. We stress, however, that any SFR theory depends, explicitly or implicitly, on very uncertain assumptions like clump boundaries or the mass of the most massive stars that can form in a given clump, making the final determinations uncertain by a factor of a few. Finally, we derive a fully time dependent model for the IMF by considering a clump, or a distribution of clumps accreting at a constant rate and thus whose physical properties evolve with time. In spite of its simplicity, this model reproduces reasonably well various features observed in numerical simulations of converging flows. Based on this general theory, we present a paradigm for star formation and the IMF.

  4. Monte Carlo method for determining free-energy differences and transition state theory rate constants

    SciTech Connect

    Voter, A.F.

    1985-02-15

    We present a new Monte Carlo procedure for determining the Helmholtz free-energy difference between two systems that are separated in configuration space. Unlike most standard approaches, no integration over intermediate potentials is required. A Metropolis walk is performed for each system, and the average Metropolis acceptance probability for a hypothetical step along a probe vector into the other system is accumulated. Either classical or quantum free energies may be computed, and the procedure is also ideally suited for evaluating generalized transition state theory rate constants. As an application we determine the relative free energies of three configurations of a tungsten dimer on the W(110) surface.

  5. The stochastic string model as a unifying theory of the term structure of interest rates

    NASA Astrophysics Data System (ADS)

    Bueno-Guerrero, Alberto; Moreno, Manuel; Navas, Javier F.

    2016-11-01

    We present the stochastic string model of Santa-Clara and Sornette (2001), as reformulated by Bueno-Guerrero et al. (2015), as a unifying theory of the continuous-time modeling of the term structure of interest rates. We provide several new results, such as: (a) an orthogonality condition for the volatilities in the Heath, Jarrow, and Morton (1992) (HJM) model, (b) the interpretation of multi-factor HJM models as approximations to a full infinite-dimensional model, (c) a result of consistency based on Hilbert spaces, and (d) a theorem for option valuation.

  6. Theory of molecular rate processes in the presence of intense laser radiation

    NASA Technical Reports Server (NTRS)

    George, T. F.; Zimmerman, I. H.; Devries, P. L.; Yuan, J.-M.; Lam, K.-S.; Bellum, J. C.; Lee, H.-W.; Slutsky, M. S.; Lin, J.-T.

    1979-01-01

    The present paper deals with the influence of intense laser radiation on gas-phase molecular rate processes. Representations of the radiation field, the particle system, and the interaction involving these two entities are discussed from a general rather than abstract point of view. The theoretical methods applied are outlined, and the formalism employed is illustrated by application to a variety of specific processes. Quantum mechanical and semiclassical treatments of representative atom-atom and atom-diatom collision processes in the presence of a field are examined, and examples of bound-continuum processes and heterogeneous catalysis are discussed within the framework of both quantum-mechanical and semiclassical theories.

  7. Development of the new approach to the diffusion-limited reaction rate theory

    SciTech Connect

    Veshchunov, M. S.

    2012-04-15

    The new approach to the diffusion-limited reaction rate theory, recently proposed by the author, is further developed on the base of a similar approach to Brownian coagulation. The traditional diffusion approach to calculation of the reaction rate is critically analyzed. In particular, it is shown that the traditional approach is applicable only in the special case of reactions with a large reaction radius and the mean inter-particle distances, and become inappropriate in calculating the reaction rate in the case of a relatively small reaction radius. In the latter case, most important for chemical reactions, particle collisions occur not in the diffusion regime but mainly in the kinetic regime characterized by homogeneous (random) spatial distribution of particles on the length scale of the mean inter-particle distance. The calculated reaction rate for a small reaction radius in three dimensions formally (and fortuitously) coincides with the expression derived in the traditional approach for reactions with a large reaction radius, but notably deviates at large times from the traditional result in the planar two-dimensional geometry. In application to reactions on discrete lattice sites, new relations for the reaction rate constants are derived for both three-dimensional and two-dimensional lattices.

  8. Absolute neutrino mass measurements

    SciTech Connect

    Wolf, Joachim

    2011-10-06

    The neutrino mass plays an important role in particle physics, astrophysics and cosmology. In recent years the detection of neutrino flavour oscillations proved that neutrinos carry mass. However, oscillation experiments are only sensitive to the mass-squared difference of the mass eigenvalues. In contrast to cosmological observations and neutrino-less double beta decay (0v2{beta}) searches, single {beta}-decay experiments provide a direct, model-independent way to determine the absolute neutrino mass by measuring the energy spectrum of decay electrons at the endpoint region with high accuracy.Currently the best kinematic upper limits on the neutrino mass of 2.2eV have been set by two experiments in Mainz and Troitsk, using tritium as beta emitter. The next generation tritium {beta}-experiment KATRIN is currently under construction in Karlsruhe/Germany by an international collaboration. KATRIN intends to improve the sensitivity by one order of magnitude to 0.2eV. The investigation of a second isotope ({sup 137}Rh) is being pursued by the international MARE collaboration using micro-calorimeters to measure the beta spectrum. The technology needed to reach 0.2eV sensitivity is still in the R and D phase. This paper reviews the present status of neutrino-mass measurements with cosmological data, 0v2{beta} decay and single {beta}-decay.

  9. Beta-decay rate and beta-delayed neutron emission probability of improved gross theory

    NASA Astrophysics Data System (ADS)

    Koura, Hiroyuki

    2014-09-01

    A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for unmeasured nuclei are adopted from the KTUY nuclear mass formula, which is based on the spherical-basis method. Considering the properties of the integrated Fermi function, we can roughly categorized energy region of excited-state of a daughter nucleus into three regions: a highly-excited energy region, which fully affect a delayed neutron probability, a middle energy region, which is estimated to contribute the decay heat, and a region neighboring the ground-state, which determines the beta-decay rate. Some results will be given in the presentation. A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for

  10. Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates is found. The use of a sequence of hyperplanes in the evaluation of the recrossing correction speeds up the calculation by an order of magnitude as compared with the traditional approach. As the temperature is lowered, the direct Langevin dynamics simulations as well as the forward flux simulations become computationally too demanding, while the harmonic transition state theory estimate corrected for recrossings can be calculated without significant increase in the computational effort.

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

    PubMed

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

    2016-06-28

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

  12. Efficient dynamical correction of the transition state theory rate estimate for a flat energy barrier.

    PubMed

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

    2016-09-01

    The recrossing correction to the transition state theory estimate of a thermal rate can be difficult to calculate when the energy barrier is flat. This problem arises, for example, in polymer escape if the polymer is long enough to stretch between the initial and final state energy wells while the polymer beads undergo diffusive motion back and forth over the barrier. We present an efficient method for evaluating the correction factor by constructing a sequence of hyperplanes starting at the transition state and calculating the probability that the system advances from one hyperplane to another towards the product. This is analogous to what is done in forward flux sampling except that there the hyperplane sequence starts at the initial state. The method is applied to the escape of polymers with up to 64 beads from a potential well. For high temperature, the results are compared with direct Langevin dynamics simulations as well as forward flux sampling and excellent agreement between the three rate estimates is found. The use of a sequence of hyperplanes in the evaluation of the recrossing correction speeds up the calculation by an order of magnitude as compared with the traditional approach. As the temperature is lowered, the direct Langevin dynamics simulations as well as the forward flux simulations become computationally too demanding, while the harmonic transition state theory estimate corrected for recrossings can be calculated without significant increase in the computational effort. PMID:27609008

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

  14. Temperature sensitivity of soil microbial communities: An application of macromolecular rate theory to microbial respiration

    NASA Astrophysics Data System (ADS)

    Alster, Charlotte J.; Koyama, Akihiro; Johnson, Nels G.; Wallenstein, Matthew D.; Fischer, Joseph C.

    2016-06-01

    There is compelling evidence that microbial communities vary widely in their temperature sensitivity and may adapt to warming through time. To date, this sensitivity has been largely characterized using a range of models relying on versions of the Arrhenius equation, which predicts an exponential increase in reaction rate with temperature. However, there is growing evidence from laboratory and field studies that observe nonmonotonic responses of reaction rates to variation in temperature, indicating that Arrhenius is not an appropriate model for quantitatively characterizing temperature sensitivity. Recently, Hobbs et al. (2013) developed macromolecular rate theory (MMRT), which incorporates thermodynamic temperature optima as arising from heat capacity differences between isoenzymes. We applied MMRT to measurements of respiration from soils incubated at different temperatures. These soils were collected from three grassland sites across the U.S. Great Plains and reciprocally transplanted, allowing us to isolate the effects of microbial community type from edaphic factors. We found that microbial community type explained roughly 30% of the variation in the CO2 production rate from the labile C pool but that temperature and soil type were most important in explaining variation in labile and recalcitrant C pool size. For six out of the nine soil × inoculum combinations, MMRT was superior to Arrhenius. The MMRT analysis revealed that microbial communities have distinct heat capacity values and temperature sensitivities sometimes independent of soil type. These results challenge the current paradigm for modeling temperature sensitivity of soil C pools and understanding of microbial enzyme dynamics.

  15. A Comparison of Model-Data Fit for Parametric and Nonparametric Item Response Theory Models Using Ordinal-Level Ratings

    ERIC Educational Resources Information Center

    Dyehouse, Melissa A.

    2009-01-01

    This study compared the model-data fit of a parametric item response theory (PIRT) model to a nonparametric item response theory (NIRT) model to determine the best-fitting model for use with ordinal-level alternate assessment ratings. The PIRT Generalized Graded Unfolding Model (GGUM) was compared to the NIRT Mokken model. Chi-square statistics…

  16. Absolute Identification by Relative Judgment

    ERIC Educational Resources Information Center

    Stewart, Neil; Brown, Gordon D. A.; Chater, Nick

    2005-01-01

    In unidimensional absolute identification tasks, participants identify stimuli that vary along a single dimension. Performance is surprisingly poor compared with discrimination of the same stimuli. Existing models assume that identification is achieved using long-term representations of absolute magnitudes. The authors propose an alternative…

  17. Be Resolute about Absolute Value

    ERIC Educational Resources Information Center

    Kidd, Margaret L.

    2007-01-01

    This article explores how conceptualization of absolute value can start long before it is introduced. The manner in which absolute value is introduced to students in middle school has far-reaching consequences for their future mathematical understanding. It begins to lay the foundation for students' understanding of algebra, which can change…

  18. Crossover behavior of the thermal conductance and Kramers’ transition rate theory

    PubMed Central

    Velizhanin, Kirill A.; Sahu, Subin; Chien, Chih-Chun; Dubi, Yonatan; Zwolak, Michael

    2015-01-01

    Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive the heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale. PMID:26634333

  19. Using effort-reward imbalance theory to understand high rates of depression and anxiety among clergy.

    PubMed

    Proeschold-Bell, Rae Jean; Miles, Andrew; Toth, Matthew; Adams, Christopher; Smith, Bruce W; Toole, David

    2013-12-01

    The clergy occupation is unique in its combination of role strains and higher calling, putting clergy mental health at risk. We surveyed all United Methodist clergy in North Carolina, and 95% (n = 1,726) responded, with 38% responding via phone interview. We compared clergy phone interview depression rates, assessed using the Patient Health Questionnaire (PHQ-9), to those of in-person interviews in a representative United States sample that also used the PHQ-9. The clergy depression prevalence was 8.7%, significantly higher than the 5.5% rate of the national sample. We used logistic regression to explain depression, and also anxiety, assessed using the Hospital Anxiety and Depression Scale. As hypothesized by effort-reward imbalance theory, several extrinsic demands (job stress, life unpredictability) and intrinsic demands (guilt about not doing enough work, doubting one's call to ministry) significantly predicted depression and anxiety, as did rewards such as ministry satisfaction and lack of financial stress. The high rate of clergy depression signals the need for preventive policies and programs for clergy. The extrinsic and intrinsic demands and rewards suggest specific actions to improve clergy mental health.

  20. Crossover behavior of the thermal conductance and Kramers’ transition rate theory

    SciTech Connect

    Velizhanin, Kirill A.; Sahu, Subin; Chien, Chih -Chun; Dubi, Yonatan; Zwolak, Michael

    2015-12-04

    Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive the heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Finally, not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.

  1. Crossover behavior of the thermal conductance and Kramers' transition rate theory.

    PubMed

    Velizhanin, Kirill A; Sahu, Subin; Chien, Chih-Chun; Dubi, Yonatan; Zwolak, Michael

    2015-01-01

    Kramers' theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive the heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Not only does this shed new light on Kramers' classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale. PMID:26634333

  2. Crossover behavior of the thermal conductance and Kramers’ transition rate theory

    DOE PAGES

    Velizhanin, Kirill A.; Sahu, Subin; Chien, Chih -Chun; Dubi, Yonatan; Zwolak, Michael

    2015-12-04

    Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive themore » heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Finally, not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.« less

  3. Crossover behavior of the thermal conductance and Kramers' transition rate theory.

    PubMed

    Velizhanin, Kirill A; Sahu, Subin; Chien, Chih-Chun; Dubi, Yonatan; Zwolak, Michael

    2015-01-01

    Kramers' theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive the heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Not only does this shed new light on Kramers' classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.

  4. A permutation information theory tour through different interest rate maturities: the Libor case.

    PubMed

    Bariviera, Aurelio Fernández; Guercio, María Belén; Martinez, Lisana B; Rosso, Osvaldo A

    2015-12-13

    This paper analyses Libor interest rates for seven different maturities and referred to operations in British pounds, euros, Swiss francs and Japanese yen, during the period 2001-2015. The analysis is performed by means of two quantifiers derived from information theory: the permutation Shannon entropy and the permutation Fisher information measure. An anomalous behaviour in the Libor is detected in all currencies except euros during the years 2006-2012. The stochastic switch is more severe in one, two and three months maturities. Given the special mechanism of Libor setting, we conjecture that the behaviour could have been produced by the manipulation that was uncovered by financial authorities. We argue that our methodology is pertinent as a market overseeing instrument.

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

    SciTech Connect

    Jain, Amber; Subotnik, Joseph E.

    2015-10-07

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

  6. Spherical finite rate of innovation theory for the recovery of fiber orientations.

    PubMed

    Deslauriers-Gauthier, Samuel; Marziliano, Pina

    2012-01-01

    In this paper, we investigate the reconstruction of a signal defined as the sum of K orientations from samples taken with a kernel defined on the 3D rotation group. A potential application is the recovery of fiber orientations in diffusion magnetic resonance imaging. We propose an exact reconstruction algorithm based on the finite rate of innovation theory that makes use of the spherical harmonics representation of the signal. The number of measurements needed for perfect recovery, which may be as low as 3K, depends only on the number of orientations and the bandwidth of the kernel used. Furthermore, the angular resolution of our method does not depend on the number of available measurements. We illustrate the performance of the algorithm using several simulations.

  7. Crossover behavior of the thermal conductance and Kramers' transition rate theory

    NASA Astrophysics Data System (ADS)

    Sahu, Subin; Velizhanin, Kirill; Chien, Chih-Chun; Dubi, Yonatan; Zwolak, Michael

    2015-03-01

    Heat transport plays opposing roles in nanotechnology, hindering the miniaturization of electronics on one hand and forming the core of novel heattronic devices on the other. Moreover, heat transport in one-dimensional nanostructures has become a central tool in studying the onset of Fourier's law of heat conduction, a yet unresolved puzzle in theoretical physics. We study the paradigmatic setting of heat transport in one-dimensional systems, a lattice coupled to two heat baths held at different temperatures. Using both numerical and analytical tools, we demonstrate that the heat conductance displays a crossover behavior as the coupling to the thermal reservoirs is tuned. We provide evidence that this behavior is universal by examining harmonic, anharmonic, and disordered systems, and discuss the origin of this effect using an analogy with Kramers' transition state theory for chemical reaction rates. This crossover behavior has important implications in the analysis of numerical results, and suggests a novel way to tune the conductance in nanoscale devices.

  8. Depletion: A Game with Natural Rules for Teaching Reaction Rate Theory

    NASA Astrophysics Data System (ADS)

    Olbris, Donald J.; Herzfeld, Judith

    2002-10-01

    Depletion is a game that reinforces central concepts of reaction rate theory through simulation. Each player buys chemicals and guides them through a series of reactions, thereby earning money to buy more chemicals. The reactions occur when players roll a high enough value on two dice to overcome an activation barrier. The reactions may be accelerated by buying heat (which allows the player to roll three dice instead of two) or catalysts (which lower the activation barrier). The value of acceleration derives from the increasing price of fresh chemicals as resources are depleted and waste products accumulate. The player who nets the most money wins the game. The details of the game are presented, with a set of follow-up questions suitable for either a quiz or discussion. Student reaction to the game is also described.

  9. Rate Theory Modeling and Simulations of Silicide Fuel at LWR Conditions

    SciTech Connect

    Miao, Yinbin; Ye, Bei; Mei, Zhigang; Hofman, Gerard; Yacout, Abdellatif

    2015-12-10

    Uranium silicide (U3Si2) fuel has higher thermal conductivity and higher uranium density, making it a promising candidate for the accident-tolerant fuel (ATF) used in light water reactors (LWRs). However, previous studies on the fuel performance of U3Si2, including both experimental and computational approaches, have been focusing on the irradiation conditions in research reactors, which usually involve low operation temperatures and high fuel burnups. Thus, it is important to examine the fuel performance of U3Si2 at typical LWR conditions so as to evaluate the feasibility of replacing conventional uranium dioxide fuel with this silicide fuel material. As in-reactor irradiation experiments involve significant time and financial cost, it is appropriate to utilize modeling tools to estimate the behavior of U3Si2 in LWRs based on all those available research reactor experimental references and state-of-the-art density functional theory (DFT) calculation capabilities at the early development stage. Hence, in this report, a comprehensive investigation of the fission gas swelling behavior of U3Si2 at LWR conditions is introduced. The modeling efforts mentioned in this report was based on the rate theory (RT) model of fission gas bubble evolution that has been successfully applied for a variety of fuel materials at devious reactor conditions. Both existing experimental data and DFT-calculated results were used for the optimization of the parameters adopted by the RT model. Meanwhile, the fuel-cladding interaction was captured by the coupling of the RT model with simplified mechanical correlations. Therefore, the swelling behavior of U3Si2 fuel and its consequent interaction with cladding in LWRs was predicted by the rate theory modeling, providing valuable information for the development of U3Si2 fuel as an accident

  10. Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

    NASA Technical Reports Server (NTRS)

    Gokoglu, Suleyman A.

    1988-01-01

    This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

  11. Kinetic performance limits of constant pressure versus constant flow rate gradient elution separations. Part I: theory.

    PubMed

    Broeckhoven, K; Verstraeten, M; Choikhet, K; Dittmann, M; Witt, K; Desmet, G

    2011-02-25

    We report on a general theoretical assessment of the potential kinetic advantages of running LC gradient elution separations in the constant-pressure mode instead of in the customarily used constant-flow rate mode. Analytical calculations as well as numerical simulation results are presented. It is shown that, provided both modes are run with the same volume-based gradient program, the constant-pressure mode can potentially offer an identical separation selectivity (except from some small differences induced by the difference in pressure and viscous heating trajectory), but in a significantly shorter time. For a gradient running between 5 and 95% of organic modifier, the decrease in analysis time can be expected to be of the order of some 20% for both water-methanol and water-acetonitrile gradients, and only weakly depending on the value of V(G)/V₀ (or equivalently t(G)/t₀). Obviously, the gain will be smaller when the start and end composition lie closer to the viscosity maximum of the considered water-organic modifier system. The assumptions underlying the obtained results (no effects of pressure and temperature on the viscosity or retention coefficient) are critically reviewed, and can be inferred to only have a small effect on the general conclusions. It is also shown that, under the adopted assumptions, the kinetic plot theory also holds for operations where the flow rate varies with the time, as is the case for constant-pressure operation. Comparing both operation modes in a kinetic plot representing the maximal peak capacity versus time, it is theoretically predicted here that both modes can be expected to perform equally well in the fully C-term dominated regime (where H varies linearly with the flow rate), while the constant pressure mode is advantageous for all lower flow rates. Near the optimal flow rate, and for linear gradients running from 5 to 95% organic modifier, time gains of the order of some 20% can be expected (or 25-30% when accounting for

  12. Absolute properties of the eclipsing binary star IM Persei

    SciTech Connect

    Lacy, Claud H. Sandberg; Torres, Guillermo; Fekel, Francis C.; Muterspaugh, Matthew W.; Southworth, John E-mail: gtorres@cfa.harvard.edu E-mail: matthew1@coe.tsuniv.edu

    2015-01-01

    IM Per is a detached A7 eccentric eclipsing binary star. We have obtained extensive measurements of the light curve (28,225 differential magnitude observations) and radial velocity curve (81 spectroscopic observations) which allow us to fit orbits and determine the absolute properties of the components very accurately: masses of 1.7831 ± 0.0094 and 1.7741 ± 0.0097 solar masses, and radii of 2.409 ± 0.018 and 2.366 ± 0.017 solar radii. The orbital period is 2.25422694(15) days and the eccentricity is 0.0473(26). A faint third component was detected in the analysis of the light curves, and also directly observed in the spectra. The observed rate of apsidal motion is consistent with theory (U = 151.4 ± 8.4 year). We determine a distance to the system of 566 ± 46 pc.

  13. Clinical application of fluctuation dissipation theory - Prediction of heart rate response to spontaneous breathing trial

    NASA Astrophysics Data System (ADS)

    Niestemski, Liang R.; Chen, Man; Prevost, Robert; McRae, Michael; Cholleti, Sharath; Najarro, Gabriel; Buchman, Timothy G.; Deem, Michael W.

    2013-03-01

    Contrary to the traditional view of the healthy physiological state as being a single static state, variation in physiologic variables has more recently been suggested to be a key component of the healthy state. Indeed, aging and disease are characterized by a loss of such variability. We apply the conceptual framework of fluctuation-dissipation theory (FDT) to predict the response to a common clinical intervention from historical fluctuations in physiologic time series data. The non-equilibrium FDT relates the response of a system to a perturbation to natural fluctuations in the stationary state of the system. We seek to understand with the FDT a common clinical perturbation, the spontaneous breathing trial (SBT), in which mechanical ventilation is briefly suspended while the patient breathes freely for a period of time. As a stress upon the heart of the patient, the SBT can be characterized as a perturbation of heart rate dynamics. A non-equilibrium, but steady-state FDT allows us to predict the heart rate recovery after the SBT stress. We show that the responses of groups of similar patients to the spontaneous breathing trial can be predicted by this approach. This mathematical framework may serve as part of the basis for personalized critical care.

  14. Evaporation of Liquid Droplet in Nano and Micro Scales from Statistical Rate Theory.

    PubMed

    Duan, Fei; He, Bin; Wei, Tao

    2015-04-01

    The statistical rate theory (SRT) is applied to predict the average evaporation flux of liquid droplet after the approach is validated in the sessile droplet experiments of the water and heavy water. The steady-state experiments show a temperature discontinuity at the evaporating interface. The average evaporation flux is evaluated by individually changing the measurement at a liquid-vapor interface, including the interfacial liquid temperature, the interfacial vapor temperature, the vapor-phase pressure, and the droplet size. The parameter study shows that a higher temperature jump would reduce the average evaporation flux. The average evaporation flux can significantly be influenced by the interfacial liquid temperature and the vapor-phase pressure. The variation can switch the evaporation into condensation. The evaporation flux is found to remain relative constant if the droplet is larger than a micro scale, while the smaller diameters in nano scale can produce a much higher evaporation flux. In addition, a smaller diameter of droplets with the same liquid volume has a larger surface area. It is suggested that the evaporation rate increases dramatically as the droplet shrinks into nano size.

  15. Termolecular kinetics for the Mu + CO + M recombination reaction: A unique test of quantum rate theory.

    PubMed

    Pan, James J; Arseneau, Donald J; Senba, Masayoshi; Garner, David M; Fleming, Donald G; Xie, Tiao; Bowman, Joel M

    2006-07-01

    initially bound (J = 0) states become resonances for J > 0 is taken into account. This is the first time in IRM calculations of atom-molecule recombination reactions where J not equal to 0 states have proven to be so important, thus providing a truly unique test of quantum rate theory. PMID:16863298

  16. Singular perturbation of absolute stability.

    NASA Technical Reports Server (NTRS)

    Siljak, D. D.

    1972-01-01

    It was previously shown (author, 1969) that the regions of absolute stability in the parameter space can be determined when the parameters appear on the right-hand side of the system equations, i.e., the regular case. Here, the effect on absolute stability of a small parameter attached to higher derivatives in the equations (the singular case) is studied. The Lur'e-Postnikov class of nonlinear systems is considered.

  17. Extension of a Kinetic-Theory Approach for Computing Chemical-Reaction Rates to Reactions with Charged Particles

    NASA Technical Reports Server (NTRS)

    Liechty, Derek S.; Lewis, Mark J.

    2010-01-01

    Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction rate information) are extended to include reactions involving charged particles and electronic energy levels. The proposed extensions include ionization reactions, exothermic associative ionization reactions, endothermic and exothermic charge exchange reactions, and other exchange reactions involving ionized species. The extensions are shown to agree favorably with the measured Arrhenius rates for near-equilibrium conditions.

  18. Maximizing measurement efficiency of behavior rating scales using Item Response Theory: An example with the Social Skills Improvement System - Teacher Rating Scale.

    PubMed

    Anthony, Christopher J; DiPerna, James C; Lei, Pui-Wa

    2016-04-01

    Measurement efficiency is an important consideration when developing behavior rating scales for use in research and practice. Although most published scales have been developed within a Classical Test Theory (CTT) framework, Item Response Theory (IRT) offers several advantages for developing scales that maximize measurement efficiency. The current study provides an example of using IRT to maximize rating scale efficiency with the Social Skills Improvement System - Teacher Rating Scale (SSIS - TRS), a measure of student social skills frequently used in practice and research. Based on IRT analyses, 27 items from the Social Skills subscales and 14 items from the Problem Behavior subscales of the SSIS - TRS were identified as maximally efficient. In addition to maintaining similar content coverage to the published version, these sets of maximally efficient items demonstrated similar psychometric properties to the published SSIS - TRS.

  19. The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study.

    PubMed

    Somers, Kieran P; Simmie, John M; Metcalfe, Wayne K; Curran, Henry J

    2014-03-21

    Due to the rapidly growing interest in the use of biomass derived furanic compounds as potential platform chemicals and fossil fuel replacements, there is a simultaneous need to understand the pyrolysis and combustion properties of such molecules. To this end, the potential energy surfaces for the pyrolysis relevant reactions of the biofuel candidate 2-methylfuran have been characterized using quantum chemical methods (CBS-QB3, CBS-APNO and G3). Canonical transition state theory is employed to determine the high-pressure limiting kinetics, k(T), of elementary reactions. Rice-Ramsperger-Kassel-Marcus theory with an energy grained master equation is used to compute pressure-dependent rate constants, k(T,p), and product branching fractions for the multiple-well, multiple-channel reaction pathways which typify the pyrolysis reactions of the title species. The unimolecular decomposition of 2-methylfuran is shown to proceed via hydrogen atom transfer reactions through singlet carbene intermediates which readily undergo ring opening to form collisionally stabilised acyclic C5H6O isomers before further decomposition to C1-C4 species. Rate constants for abstraction by the hydrogen atom and methyl radical are reported, with abstraction from the alkyl side chain calculated to dominate. The fate of the primary abstraction product, 2-furanylmethyl radical, is shown to be thermal decomposition to the n-butadienyl radical and carbon monoxide through a series of ring opening and hydrogen atom transfer reactions. The dominant bimolecular products of hydrogen atom addition reactions are found to be furan and methyl radical, 1-butene-1-yl radical and carbon monoxide and vinyl ketene and methyl radical. A kinetic mechanism is assembled with computer simulations in good agreement with shock tube speciation profiles taken from the literature. The kinetic mechanism developed herein can be used in future chemical kinetic modelling studies on the pyrolysis and oxidation of 2-methylfuran

  20. Assessing the Effects of New Reaction Rates and Convection Theory on Studies of Supernova Progenitors

    NASA Astrophysics Data System (ADS)

    Starrfield, Sumner

    We request funding to carry out a systematic evaluation of nuclear reaction rates and convection on the pre-explosion evolution of core-collapse (SN II) and thermonuclear (SN Ia) supernovae. We will use MESA (Modules for Experiments in Stellar Astrophysics) a new stellar evolution computer code that is co-authored by Co-PI Timmes. One goal of this proposal is to determine the effects of new thermonuclear reaction rates, taken from the next-generation library STARLIB developed by Co-PI Iliadis, on the resulting evolution. Another goal is to test the effects of the latest convection theory, microphysics changes, and numerical techniques on the results. STARLIB is a first-of-its-kind nuclear reaction rate library and, unlike all other libraries, it contains the full reaction rate probability densities at all stellar temperatures. It is publicly available as of June 2013. Consequently, we are now in a unique position to model stellar evolution and nucleosynthesis in a quantitative manner that makes predictions for key observations by NASA ground-based and satellite observatories. We will use two complementary strategies. First, we will take the modern and multiple prescriptions of convection that are implemented in MESA, together with the recommended thermonuclear reaction rates provided by STARLIB, to generate new hydrodynamic simulations of SN Ia and SN II progenitor evolution. Second, we will take the temperature-density-time trajectories from the evolutionary results and do Monte Carlo post-processing nucleosynthesis calculations by sampling over the reaction rate probability densities. This procedure could not be applied previously and has only become feasible with the availability of STARLIB. Calculations of pre-supernova evolution with the STARLIB reaction rates and new convection prescriptions will provide, for the first time, statistically rigorous estimates for both their evolutionary structures and resulting nucleosynthesis. Significant insight into pre

  1. Absolute Humidity and the Seasonality of Influenza (Invited)

    NASA Astrophysics Data System (ADS)

    Shaman, J. L.; Pitzer, V.; Viboud, C.; Grenfell, B.; Goldstein, E.; Lipsitch, M.

    2010-12-01

    Much of the observed wintertime increase of mortality in temperate regions is attributed to seasonal influenza. A recent re-analysis of laboratory experiments indicates that absolute humidity strongly modulates the airborne survival and transmission of the influenza virus. Here we show that the onset of increased wintertime influenza-related mortality in the United States is associated with anomalously low absolute humidity levels during the prior weeks. We then use an epidemiological model, in which observed absolute humidity conditions temper influenza transmission rates, to successfully simulate the seasonal cycle of observed influenza-related mortality. The model results indicate that direct modulation of influenza transmissibility by absolute humidity alone is sufficient to produce this observed seasonality. These findings provide epidemiological support for the hypothesis that absolute humidity drives seasonal variations of influenza transmission in temperate regions. In addition, we show that variations of the basic and effective reproductive numbers for influenza, caused by seasonal changes in absolute humidity, are consistent with the general timing of pandemic influenza outbreaks observed for 2009 A/H1N1 in temperate regions. Indeed, absolute humidity conditions correctly identify the region of the United States vulnerable to a third, wintertime wave of pandemic influenza. These findings suggest that the timing of pandemic influenza outbreaks is controlled by a combination of absolute humidity conditions, levels of susceptibility and changes in population mixing and contact rates.

  2. Model Compound Studies of the Beta-O-4 Linkage in Lignin: Absolute Rate Expressions for Beta-Scission of Phenoxyl Radical from 1-Phenyl-2-phenoxyethanol-1-yl Radical.

    SciTech Connect

    Kandanarachchi, Pramod H.; Autrey, S Thomas ); Franz, James A. )

    2002-11-15

    The lifetime of the lignin radical model compound, 1-phenyl-2-phenoxyethanol-1-yl, PhC?(OH)CH2-OPh is several orders of magnitude greater than suggested by the previous experimental studies. The ketyl radical is competitively trapped by thiophenol to yield PhCH(OH)CH2-OPh in competition with? -scission to yield phenoxyl radical and acetophenone. A basis rate expression, hydrogen atom abstraction by sec-phenethyl alcohol, PhC?(OH)CH3, from thiophenol, log(kabs/M -1 s -1 )=(8.88?0.24)? (6.07?0.34)/? ,?= 2.303RT,was determined by competing reduction and radical termination pathways. The Smoluchowski equation was used to calculate the temperature dependent rate of PhC?(OH)CH3 termination. The hydrogen abstraction pathway was used as a basis reaction to determine the activation barrier for the? -scission of phenoxyl from 1-phenyl-2-phenoxyethanol-1-yl: log(k? -sci/s -1 )= (12.85?0.22)?(15.06?0.38)/?, k? -sci(298K) ca. (64.0s -1 in benzene), log(k? -sci/s -1 )= (12.50?0.18)?(14.46?0.30)/? , k? -sc i(298K) ca. (78.7s -1 in benzene containing 0.8 M 2-propanol).B3LYP/cc-PVZT methods predict intramolecular hydrogen bonding between the? -OH on the ketyl radical and the?OPh leaving group stabilize both the ground state and transition state structures. At this level of theory the activation barrier (14.9 kcal/mol) is in fair agreement with the experimentally determined activation barrier.

  3. Quantum Kramers-like theory of the electron-transfer rate from weak-to-strong electronic coupling regions

    SciTech Connect

    Zhao Yi; Liang Wanzhen

    2006-09-15

    Together with the Zhu-Nakamura nonadiabatic transition formulas to treat the coupled electronic and nuclear quantum tunneling probability, we generalize quantum Kramers theory to electron-transfer rate constants. The application in the strongly condensed phase manifests that the approach correctly bridges the gap between the nonadiabatic (Fermi golden rule) and adiabatic (Kramers theory) limits in a unified way, and leads to good agreement with the quantum path integral data at low temperature.

  4. From Molecular Dynamics to Kinetic Rate Theory: A Simple Example of Multiscale Modeling

    SciTech Connect

    Greenwood, L.R.; Stoller, R.E.

    1998-11-30

    Radiation damage formation in iron has been investigated using the method of molecular dynamics simulation. The MD simulations have been used to determine primary defect production parameters for cascade energies up to 50 keV at temperatures from 100 to 900K. The energy dependence of these parameters has been used to determine appropriate neutron-energy-spectrum averaged damage production cross sections for various irradiation environments. Two applications of these effective cross sections are discussed. The first is an evaluation of neutron energy spectrum effects in commercial fission reactor pressure vessels. The second example deals with the use of these cross sections in the source term of a kinetic model used to predict void swelling and microstructural evolution. The simulation of the primary damage event by MD involves times less than 100 ps and a size scale of a few tens of nm, while the kinetic simulation encompasses several years and macroscopic sizes. This use of the MD results to develop an improved source term for rate theory modeling provides a simple example of multiscale modeling.

  5. Rate of mixing controls rate and outcome of autocatalytic processes: theory and microfluidic experiments with chemical reactions and blood coagulation.

    PubMed

    Pompano, Rebecca R; Li, Hung-Wing; Ismagilov, Rustem F

    2008-08-01

    This article demonstrates that the rate of mixing can regulate the rate and outcome of both biological and nonbiological autocatalytic reaction systems that display a threshold response to the concentration of an activator. Plug-based microfluidics was used to control the timing of reactions, the rate of mixing, and surface chemistry in blood clotting and its chemical model. Initiation of clotting of human blood plasma required addition of a critical concentration of thrombin. Clotting could be prevented by rapid mixing when thrombin was added near the critical concentration, and mixing also affected the rate of clotting when thrombin was added at concentrations far above the critical concentration in two clinical clotting assays for human plasma. This phenomenon was modeled by a simple mechanism--local and global competition between the clotting reaction, which autocatalytically produces an activator, and mixing, which removes the activator. Numerical simulations showed that the Damköhler number, which describes this competition, predicts the effects of mixing. Many biological systems are controlled by thresholds, and these results shed light on the dynamics of these systems in the presence of spatial heterogeneities and provide simple guidelines for designing and interpreting experiments with such systems.

  6. Island biogeographical theory: Can it be used to predict lotic recovery rates?

    NASA Astrophysics Data System (ADS)

    Gore, James A.; Milner, Alexander M.

    1990-09-01

    Classic island biogeographic theory predicts that equilibrium will be reached when immigration and extinction rates are equal. These rates are modified by number of species in source area, number of intermediate islands, distance to recipient island, and size of intermediate islands. This general model has been variously modified and proposed to be a stochastic process with minimal competitive interaction or heavily deterministic. Predictive models of recovery (regardless of the end point chosen) have been based on the appropriateness of the MacArthur-Wilson models. Because disturbance frequency, severity, and intensity vary in their effect on community dynamics, we propose that disturbance levels should first be defined before evaluating the applicability of island biogeographical theory. Thus, we suggest a classification system of four disturbance levels based on recovery patterns by primary and secondary succession and faunal organization by primary (invasion of vacant areas) and secondary (remnant of previous community remains) processes. Level 1A disturbances completely destroy communities with no upstream or downstream sources of colonizers, while some component of near surface interstitial or hyporheic flora and fauna survive level 1B disturbances. Recovery has been reported to take from five years to longer than 25 years, when most invading colonists do not have an aerial form. Level 2 disturbances destroy the communities but leave upstream and downstream colonization sources (level 2A) and, sometimes, a hyporheic pool of colonizers (level 2B). Recovery studies have indicated primary succession and faunal structuring patterns (2A) with recovery times of 90-400 days or secondary succession and faunal structuring patterns (2B) with recovery times of 40-250 days. Level 3 disturbances result in reduction in species abundance and diversity along a stream reach; level 4 disturbances result in reduction of abundance and diversity in discrete patches. Both

  7. Absolute radiometry and the solar constant

    NASA Technical Reports Server (NTRS)

    Willson, R. C.

    1974-01-01

    A series of active cavity radiometers (ACRs) are described which have been developed as standard detectors for the accurate measurement of irradiance in absolute units. It is noted that the ACR is an electrical substitution calorimeter, is designed for automatic remote operation in any environment, and can make irradiance measurements in the range from low-level IR fluxes up to 30 solar constants with small absolute uncertainty. The instrument operates in a differential mode by chopping the radiant flux to be measured at a slow rate, and irradiance is determined from two electrical power measurements together with the instrumental constant. Results are reported for measurements of the solar constant with two types of ACRs. The more accurate measurement yielded a value of 136.6 plus or minus 0.7 mW/sq cm (1.958 plus or minus 0.010 cal/sq cm per min).

  8. Theory of bi-molecular association dynamics in 2D for accurate model and experimental parameterization of binding rates

    NASA Astrophysics Data System (ADS)

    Yogurtcu, Osman N.; Johnson, Margaret E.

    2015-08-01

    The dynamics of association between diffusing and reacting molecular species are routinely quantified using simple rate-equation kinetics that assume both well-mixed concentrations of species and a single rate constant for parameterizing the binding rate. In two-dimensions (2D), however, even when systems are well-mixed, the assumption of a single characteristic rate constant for describing association is not generally accurate, due to the properties of diffusional searching in dimensions d ≤ 2. Establishing rigorous bounds for discriminating between 2D reactive systems that will be accurately described by rate equations with a single rate constant, and those that will not, is critical for both modeling and experimentally parameterizing binding reactions restricted to surfaces such as cellular membranes. We show here that in regimes of intrinsic reaction rate (ka) and diffusion (D) parameters ka/D > 0.05, a single rate constant cannot be fit to the dynamics of concentrations of associating species independently of the initial conditions. Instead, a more sophisticated multi-parametric description than rate-equations is necessary to robustly characterize bimolecular reactions from experiment. Our quantitative bounds derive from our new analysis of 2D rate-behavior predicted from Smoluchowski theory. Using a recently developed single particle reaction-diffusion algorithm we extend here to 2D, we are able to test and validate the predictions of Smoluchowski theory and several other theories of reversible reaction dynamics in 2D for the first time. Finally, our results also mean that simulations of reactive systems in 2D using rate equations must be undertaken with caution when reactions have ka/D > 0.05, regardless of the simulation volume. We introduce here a simple formula for an adaptive concentration dependent rate constant for these chemical kinetics simulations which improves on existing formulas to better capture non-equilibrium reaction dynamics from dilute

  9. Absolute flux scale for radioastronomy

    SciTech Connect

    Ivanov, V.P.; Stankevich, K.S.

    1986-07-01

    The authors propose and provide support for a new absolute flux scale for radio astronomy, which is not encumbered with the inadequacies of the previous scales. In constructing it the method of relative spectra was used (a powerful tool for choosing reference spectra). A review is given of previous flux scales. The authors compare the AIS scale with the scale they propose. Both scales are based on absolute measurements by the ''artificial moon'' method, and they are practically coincident in the range from 0.96 to 6 GHz. At frequencies above 6 GHz, 0.96 GHz, the AIS scale is overestimated because of incorrect extrapolation of the spectra of the primary and secondary standards. The major results which have emerged from this review of absolute scales in radio astronomy are summarized.

  10. Theory and experimental results of transfer-NOE experiments. 1. The influence of the off rate versus cross-relaxation rates

    NASA Astrophysics Data System (ADS)

    Lippens, R. M.; Cerf, C.; Hallenga, K.

    The theory of the transferred nuclear Overhauser effect is presented in the framework of an extended relaxation matrix representation. This matrix representation allows a coherent description of all one- and two-dimensional experiments. We present analytical solutions for the buildup of magnetization in the 2D transfer-NOE experiment, for all ratios of the off rate k to the cross-relaxation rates R involved. We show that systematic deviations in distance determination occur when the off rate becomes comparable to or smaller than the relaxation rates. Experimental results on the peptide/protein system oxytocin/neurophysin confirming this analysis are presented. The importance of residual mobility in the bound ligand, as demonstrated by the experimental data, is also discussed.

  11. VARIABLE RATE APPLICATION OF SOIL HERBICIDES IN ARABLE CROPS: FROM THEORY TO PRACTICE.

    PubMed

    Heijting, S; Kempenaar, C

    2014-01-01

    Soil herbicides are applied around crop emergence and kill germinating weeds in the surface layer of the soil. These herbicides play an important role in the chemical management of weeds in major arable crops. From an environmental point of view there is a clear need for smarter application of these chemicals. This paper presents research done in The Netherlands on Variable Rate Application (VRA) of soil herbicides by taking into account spatial variation of the soil. Herbicides adsorbed to soil parameters such as clay or organic matter are not available for herbicidal activity. Decision Support Rules (DSR) describe the relation between the soil parameter and herbicide dosage needed for effectively controlling weeds. Research methods such as greenhouse trials, models and on farm research to develop DSR are discussed and results are presented. Another important ingredient for VRA of soil herbicides is an accurate soil map of the field. Sampling and subsequent interpolation is costly. Soil scans measuring a proxy that is subsequently translated into soil properties such as clay fraction and soil organic matter content offer a quicker way to achieve such maps but validation is needed. DSR is applied to the soil map to get the variable dosage map. The farmer combines this map with the routing, spray volume and spray boom width in the Farm Management Information System (FMIS), resulting in a task file. This task file can subsequently be read by the board computer resulting in a VRA spray map. Reduction in soil herbicide depends on the DSR, the spatial variation and pattern of the soil, the spatial configuration of the routing and the technical advances of the spray equipment. Recently, within the framework the Programma Precisie Landbouw, first steps were made to test and implement this in practice. Currently, theory and practice of VRA of soil herbicides is developed within the research program IJKakker in close cooperation with pioneering farmers in The Netherlands

  12. VARIABLE RATE APPLICATION OF SOIL HERBICIDES IN ARABLE CROPS: FROM THEORY TO PRACTICE.

    PubMed

    Heijting, S; Kempenaar, C

    2014-01-01

    Soil herbicides are applied around crop emergence and kill germinating weeds in the surface layer of the soil. These herbicides play an important role in the chemical management of weeds in major arable crops. From an environmental point of view there is a clear need for smarter application of these chemicals. This paper presents research done in The Netherlands on Variable Rate Application (VRA) of soil herbicides by taking into account spatial variation of the soil. Herbicides adsorbed to soil parameters such as clay or organic matter are not available for herbicidal activity. Decision Support Rules (DSR) describe the relation between the soil parameter and herbicide dosage needed for effectively controlling weeds. Research methods such as greenhouse trials, models and on farm research to develop DSR are discussed and results are presented. Another important ingredient for VRA of soil herbicides is an accurate soil map of the field. Sampling and subsequent interpolation is costly. Soil scans measuring a proxy that is subsequently translated into soil properties such as clay fraction and soil organic matter content offer a quicker way to achieve such maps but validation is needed. DSR is applied to the soil map to get the variable dosage map. The farmer combines this map with the routing, spray volume and spray boom width in the Farm Management Information System (FMIS), resulting in a task file. This task file can subsequently be read by the board computer resulting in a VRA spray map. Reduction in soil herbicide depends on the DSR, the spatial variation and pattern of the soil, the spatial configuration of the routing and the technical advances of the spray equipment. Recently, within the framework the Programma Precisie Landbouw, first steps were made to test and implement this in practice. Currently, theory and practice of VRA of soil herbicides is developed within the research program IJKakker in close cooperation with pioneering farmers in The Netherlands.

  13. Rate Coefficient for the (4)Heμ + CH4 Reaction at 500 K: Comparison between Theory and Experiment.

    PubMed

    Arseneau, Donald J; Fleming, Donald G; Li, Yongle; Li, Jun; Suleimanov, Yury V; Guo, Hua

    2016-03-01

    The rate constant for the H atom abstraction reaction from methane by the muonic helium atom, Heμ + CH4 → HeμH + CH3, is reported at 500 K and compared with theory, providing an important test of both the potential energy surface (PES) and reaction rate theory for the prototypical polyatomic CH5 reaction system. The theory used to characterize this reaction includes both variational transition-state (CVT/μOMT) theory (VTST) and ring polymer molecular dynamics (RPMD) calculations on a recently developed PES, which are compared as well with earlier calculations on different PESs for the H, D, and Mu + CH4 reactions, the latter, in particular, providing for a variation in atomic mass by a factor of 36. Though rigorous quantum calculations have been carried out for the H + CH4 reaction, these have not yet been extended to the isotopologues of this reaction (in contrast to H3), so it is important to provide tests of less rigorous theories in comparison with kinetic isotope effects measured by experiment. In this regard, the agreement between the VTST and RPMD calculations and experiment for the rate constant of the Heμ + CH4 reaction at 500 K is excellent, within 10% in both cases, which overlaps with experimental error.

  14. A technique for predicting mode I energy release rates using a first-order shear deformable plate theory

    NASA Technical Reports Server (NTRS)

    Davidson, B. D.; Schapery, R. A.

    1990-01-01

    Utilizing a first order shear deformable plate theory, a technique is described for predicting the distribution of the energy release rate along a curved or straight mode I planar crack in the plane of a plate (such as a delamination crack). Accuracy of the technique is assessed by comparing the distributions of energy release rate with those predicted by two- and three-dimensional finite element analyses of double cantilever beam specimens with straight crack fronts.

  15. Students' Motivational Processes and Their Relationship to Teacher Ratings in School Physical Education: A Self-Determination Theory Approach

    ERIC Educational Resources Information Center

    Standage, Martyn; Duda, Joan L.; Ntoumanis, Nikos

    2006-01-01

    In the present study, we used a model of motivation grounded in self-determination theory (Deci & Ryan, 1985, 1991; Ryan & Deci, 2000a, 2000b, 2002) to examine the relationship between physical education (PE) students' motivational processes and ratings of their effort and persistence as provided by their PE teacher. Data were obtained from 394…

  16. Item Response Theory Analyses of Adult Self-Ratings of the ADHD Symptoms in the Current Symptoms Scale

    ERIC Educational Resources Information Center

    Gomez, Rapson

    2011-01-01

    The graded response model, which is based on item response theory, was used to evaluate the psychometric properties of adult self-ratings (N = 852) of the attention deficit/hyperactivity disorder inattention, hyperactivity, and impulsivity symptoms presented in the Current Symptoms Scale. This scale has four ordered response categories. The…

  17. Is the Unemployment Rate of Women Too Low? A Direct Test of the Economic Theory of Job Search.

    ERIC Educational Resources Information Center

    Sandell, Steven H.

    To test the economic theory of job search and the rationality of job search behavior by unemployed married women, the importance of reservation wages (or wages requested for employment) was studied for its effect on the duration of unemployment and its relationship to the subsequent rate of pay upon reemployment. Models were established to explain…

  18. Diffusion of Innovation Theory and Xbox Live: Examining Minority Gamers' Responses and Rate of Adoption to Changes in Xbox Live

    ERIC Educational Resources Information Center

    Gray, Kishonna L.

    2012-01-01

    This article examines the response of minority gamers as they adopt new innovations in Xbox Live. Using diffusion of innovation theory, specific attention is given to gamers' rate of adoption of the new Xbox Live environment, which was a recent update to the Xbox Live interface. By employing virtual ethnography, observations, and interviews reveal…

  19. Absolute transition probabilities of phosphorus.

    NASA Technical Reports Server (NTRS)

    Miller, M. H.; Roig, R. A.; Bengtson, R. D.

    1971-01-01

    Use of a gas-driven shock tube to measure the absolute strengths of 21 P I lines and 126 P II lines (from 3300 to 6900 A). Accuracy for prominent, isolated neutral and ionic lines is estimated to be 28 to 40% and 18 to 30%, respectively. The data and the corresponding theoretical predictions are examined for conformity with the sum rules.-

  20. Rate theory of solvent exchange and kinetics of Li+ - BF4-/PF6- ion pairs in acetonitrile

    NASA Astrophysics Data System (ADS)

    Dang, Liem X.; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li+ and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li+ in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li+-[BF4] and Li+-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li+. We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li+-[BF4] and Li+-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

  1. Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.

    PubMed

    Dang, Liem X; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li(+) and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li(+) in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li(+)-[BF4] and Li(+)-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li(+). We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li(+)-[BF4] and Li(+)-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

  2. Rate theory of solvent exchange and kinetics of Li(+) - BF4 (-)/PF6 (-) ion pairs in acetonitrile.

    PubMed

    Dang, Liem X; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li(+) and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li(+) in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li(+)-[BF4] and Li(+)-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li(+). We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li(+)-[BF4] and Li(+)-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems. PMID:27608999

  3. Behavioral momentum theory fails to account for the effects of reinforcement rate on resurgence.

    PubMed

    Craig, Andrew R; Shahan, Timothy A

    2016-05-01

    The behavioral-momentum model of resurgence predicts reinforcer rates within a resurgence preparation should have three effects on target behavior. First, higher reinforcer rates in baseline (Phase 1) produce more persistent target behavior during extinction plus alternative reinforcement. Second, higher rate alternative reinforcement during Phase 2 generates greater disruption of target responding during extinction. Finally, higher rates of either reinforcement source should produce greater responding when alternative reinforcement is suspended in Phase 3. Recent empirical reports have produced mixed results in terms of these predictions. Thus, the present experiment further examined reinforcer-rate effects on persistence and resurgence. Rats pressed target levers for high-rate or low-rate variable-interval food during Phase 1. In Phase 2, target-lever pressing was extinguished, an alternative nose-poke became available, and nose-poking produced either high-rate variable-interval, low-rate variable-interval, or no (an extinction control) alternative reinforcement. Alternative reinforcement was suspended in Phase 3. For groups that received no alternative reinforcement, target-lever pressing was less persistent following high-rate than low-rate Phase-1 reinforcement. Target behavior was more persistent with low-rate alternative reinforcement than with high-rate alternative reinforcement or extinction alone. Finally, no differences in Phase-3 responding were observed for groups that received either high-rate or low-rate alternative reinforcement, and resurgence occurred only following high-rate alternative reinforcement. These findings are inconsistent with the momentum-based model of resurgence. We conclude this model mischaracterizes the effects of reinforcer rates on persistence and resurgence of operant behavior. PMID:27193242

  4. Behavioral momentum theory fails to account for the effects of reinforcement rate on resurgence.

    PubMed

    Craig, Andrew R; Shahan, Timothy A

    2016-05-01

    The behavioral-momentum model of resurgence predicts reinforcer rates within a resurgence preparation should have three effects on target behavior. First, higher reinforcer rates in baseline (Phase 1) produce more persistent target behavior during extinction plus alternative reinforcement. Second, higher rate alternative reinforcement during Phase 2 generates greater disruption of target responding during extinction. Finally, higher rates of either reinforcement source should produce greater responding when alternative reinforcement is suspended in Phase 3. Recent empirical reports have produced mixed results in terms of these predictions. Thus, the present experiment further examined reinforcer-rate effects on persistence and resurgence. Rats pressed target levers for high-rate or low-rate variable-interval food during Phase 1. In Phase 2, target-lever pressing was extinguished, an alternative nose-poke became available, and nose-poking produced either high-rate variable-interval, low-rate variable-interval, or no (an extinction control) alternative reinforcement. Alternative reinforcement was suspended in Phase 3. For groups that received no alternative reinforcement, target-lever pressing was less persistent following high-rate than low-rate Phase-1 reinforcement. Target behavior was more persistent with low-rate alternative reinforcement than with high-rate alternative reinforcement or extinction alone. Finally, no differences in Phase-3 responding were observed for groups that received either high-rate or low-rate alternative reinforcement, and resurgence occurred only following high-rate alternative reinforcement. These findings are inconsistent with the momentum-based model of resurgence. We conclude this model mischaracterizes the effects of reinforcer rates on persistence and resurgence of operant behavior.

  5. ABSOLUTE PROPERTIES OF THE ECLIPSING BINARY STAR BF DRACONIS

    SciTech Connect

    Sandberg Lacy, Claud H.; Torres, Guillermo; Fekel, Francis C.; Sabby, Jeffrey A.; Claret, Antonio E-mail: gtorres@cfa.harvard.edu E-mail: jsabby@siue.edu

    2012-06-15

    BF Dra is now known to be an eccentric double-lined F6+F6 binary star with relatively deep (0.7 mag) partial eclipses. Previous studies of the system are improved with 7494 differential photometric observations from the URSA WebScope and 9700 from the NFO WebScope, 106 high-resolution spectroscopic observations from the Tennessee State University 2 m automatic spectroscopic telescope and the 1 m coude-feed spectrometer at Kitt Peak National Observatory, and 31 accurate radial velocities from the CfA. Very accurate (better than 0.6%) masses and radii are determined from analysis of the two new light curves and four radial velocity curves. Theoretical models match the absolute properties of the stars at an age of about 2.72 Gyr and [Fe/H] = -0.17, and tidal theory correctly confirms that the orbit should still be eccentric. Our observations of BF Dra constrain the convective core overshooting parameter to be larger than about 0.13 H{sub p}. We find, however, that standard tidal theory is unable to match the observed slow rotation rates of the components' surface layers.

  6. Theory of activated-rate processes under shear with application to shear-induced aggregation of colloids.

    PubMed

    Zaccone, Alessio; Wu, Hua; Gentili, Daniele; Morbidelli, Massimo

    2009-11-01

    Using an approximation scheme within the convective diffusion (two-body Smoluchowski) equation framework, we unveil the shear-driven aggregation mechanism at the origin of structure formation in sheared colloidal systems. The theory, verified against numerics and experiments, explains the induction time followed by explosive (irreversible) rise of viscosity observed in charge-stabilized colloidal and protein systems under steady shear. The Arrhenius-type equation with shear derived here, extending Kramers' theory in the presence of shear, clearly demonstrates the important role of shear drive in activated-rate processes as they are encountered in soft condensed matter.

  7. Measurement Quality of the Chinese Early Childhood Program Rating Scale: An Investigation Using Multivariate Generalizability Theory

    ERIC Educational Resources Information Center

    Chen, Dezhi; Hu, Bi Ying; Fan, Xitao; Li, Kejian

    2014-01-01

    Adapted from the Early Childhood Environment Rating Scale-Revised, the Chinese Early Childhood Program Rating Scale (CECPRS) is a culturally comparable measure for assessing the quality of early childhood education and care programs in the Chinese cultural/social contexts. In this study, 176 kindergarten classrooms were rated with CECPRS on eight…

  8. A kinetic-theory approach for computing chemical-reaction rates in upper-atmosphere hypersonic flows.

    PubMed

    Gallis, Michael A; Bond, Ryan B; Torczynski, John R

    2009-09-28

    Recently proposed molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction-rate information) are investigated for chemical reactions occurring in upper-atmosphere hypersonic flows. The new models are in good agreement with the measured Arrhenius rates for near-equilibrium conditions and with both measured rates and other theoretical models for far-from-equilibrium conditions. Additionally, the new models are applied to representative combustion and ionization reactions and are in good agreement with available measurements and theoretical models. Thus, molecular-level chemistry modeling provides an accurate method for predicting equilibrium and nonequilibrium chemical-reaction rates in gases.

  9. Clock time is absolute and universal

    NASA Astrophysics Data System (ADS)

    Shen, Xinhang

    2015-09-01

    A critical error is found in the Special Theory of Relativity (STR): mixing up the concepts of the STR abstract time of a reference frame and the displayed time of a physical clock, which leads to use the properties of the abstract time to predict time dilation on physical clocks and all other physical processes. Actually, a clock can never directly measure the abstract time, but can only record the result of a physical process during a period of the abstract time such as the number of cycles of oscillation which is the multiplication of the abstract time and the frequency of oscillation. After Lorentz Transformation, the abstract time of a reference frame expands by a factor gamma, but the frequency of a clock decreases by the same factor gamma, and the resulting multiplication i.e. the displayed time of a moving clock remains unchanged. That is, the displayed time of any physical clock is an invariant of Lorentz Transformation. The Lorentz invariance of the displayed times of clocks can further prove within the framework of STR our earth based standard physical time is absolute, universal and independent of inertial reference frames as confirmed by both the physical fact of the universal synchronization of clocks on the GPS satellites and clocks on the earth, and the theoretical existence of the absolute and universal Galilean time in STR which has proved that time dilation and space contraction are pure illusions of STR. The existence of the absolute and universal time in STR has directly denied that the reference frame dependent abstract time of STR is the physical time, and therefore, STR is wrong and all its predictions can never happen in the physical world.

  10. Chimpanzee choice rates in competitive games match equilibrium game theory predictions.

    PubMed

    Martin, Christopher Flynn; Bhui, Rahul; Bossaerts, Peter; Matsuzawa, Tetsuro; Camerer, Colin

    2014-06-05

    The capacity for strategic thinking about the payoff-relevant actions of conspecifics is not well understood across species. We use game theory to make predictions about choices and temporal dynamics in three abstract competitive situations with chimpanzee participants. Frequencies of chimpanzee choices are extremely close to equilibrium (accurate-guessing) predictions, and shift as payoffs change, just as equilibrium theory predicts. The chimpanzee choices are also closer to the equilibrium prediction, and more responsive to past history and payoff changes, than two samples of human choices from experiments in which humans were also initially uninformed about opponent payoffs and could not communicate verbally. The results are consistent with a tentative interpretation of game theory as explaining evolved behavior, with the additional hypothesis that chimpanzees may retain or practice a specialized capacity to adjust strategy choice during competition to perform at least as well as, or better than, humans have.

  11. The arcing rate for a High Voltage Solar Array - Theory, experiment and predictions

    NASA Technical Reports Server (NTRS)

    Hastings, Daniel E.; Cho, Mengu; Kuninaka, Hitoshi

    1992-01-01

    All solar arrays have biased surfaces which can be exposed to the space environment. It has been observed that when the array bias is less than a few hundred volts negative then the exposed conductive surfaces may undergo arcing in the space plasma. A theory for arcing is developed on these high voltage solar arrays which ascribes the arcing to electric field runaway at the interface of the plasma, conductor and solar cell dielectric. Experiments were conducted in the laboratory for the High Voltage Solar Array (HVSA) experiment which will fly on the Japanese Space Flyer Unit (SFU) in 1994. The theory was compared in detail to the experiment and shown to give a reasonable explanation for the data. The combined theory and ground experiments were then used to develop predictions for the SFU flight.

  12. Arcing rates for High Voltage Solar Arrays - Theory, experiment, and predictions

    NASA Technical Reports Server (NTRS)

    Hastings, Daniel E.; Cho, Mengu; Kuninaka, Hitoshi

    1992-01-01

    All solar arrays have biased surfaces that can be exposed to the space environment. It has been observed that when the array bias is less than a few hundred volts negative, then the exposed conductive surfaces may undergo arcing in the space plasma. A theory for arcing is developed on these high voltage solar arrays that ascribes the arcing to electric field runaway at the interface of the plasma, conductor, and solar cell dielectric. Experiments were conducted in the laboratory for the High Voltage Solar Array experiment that will fly on the Japanese Space Flyer Unit (SFU) in 1994. The theory was compared in detail with the experiment and shown to give a reasonable explanation for the data. The combined theory and ground experiments were then used to develop predictions for the SFU flight.

  13. Moral absolutism and ectopic pregnancy.

    PubMed

    Kaczor, C

    2001-02-01

    If one accepts a version of absolutism that excludes the intentional killing of any innocent human person from conception to natural death, ectopic pregnancy poses vexing difficulties. Given that the embryonic life almost certainly will die anyway, how can one retain one's moral principle and yet adequately respond to a situation that gravely threatens the life of the mother and her future fertility? The four options of treatment most often discussed in the literature are non-intervention, salpingectomy (removal of tube with embryo), salpingostomy (removal of embryo alone), and use of methotrexate (MXT). In this essay, I review these four options and introduce a fifth (the milking technique). In order to assess these options in terms of the absolutism mentioned, it will also be necessary to discuss various accounts of the intention/foresight distinction. I conclude that salpingectomy, salpingostomy, and the milking technique are compatible with absolutist presuppositions, but not the use of methotrexate.

  14. Moral absolutism and ectopic pregnancy.

    PubMed

    Kaczor, C

    2001-02-01

    If one accepts a version of absolutism that excludes the intentional killing of any innocent human person from conception to natural death, ectopic pregnancy poses vexing difficulties. Given that the embryonic life almost certainly will die anyway, how can one retain one's moral principle and yet adequately respond to a situation that gravely threatens the life of the mother and her future fertility? The four options of treatment most often discussed in the literature are non-intervention, salpingectomy (removal of tube with embryo), salpingostomy (removal of embryo alone), and use of methotrexate (MXT). In this essay, I review these four options and introduce a fifth (the milking technique). In order to assess these options in terms of the absolutism mentioned, it will also be necessary to discuss various accounts of the intention/foresight distinction. I conclude that salpingectomy, salpingostomy, and the milking technique are compatible with absolutist presuppositions, but not the use of methotrexate. PMID:11262641

  15. The Absolute Spectrum Polarimeter (ASP)

    NASA Technical Reports Server (NTRS)

    Kogut, A. J.

    2010-01-01

    The Absolute Spectrum Polarimeter (ASP) is an Explorer-class mission to map the absolute intensity and linear polarization of the cosmic microwave background and diffuse astrophysical foregrounds over the full sky from 30 GHz to 5 THz. The principal science goal is the detection and characterization of linear polarization from an inflationary epoch in the early universe, with tensor-to-scalar ratio r much greater than 1O(raised to the power of { -3}) and Compton distortion y < 10 (raised to the power of{-6}). We describe the ASP instrument and mission architecture needed to detect the signature of an inflationary epoch in the early universe using only 4 semiconductor bolometers.

  16. Classification images predict absolute efficiency.

    PubMed

    Murray, Richard F; Bennett, Patrick J; Sekuler, Allison B

    2005-02-24

    How well do classification images characterize human observers' strategies in perceptual tasks? We show mathematically that from the classification image of a noisy linear observer, it is possible to recover the observer's absolute efficiency. If we could similarly predict human observers' performance from their classification images, this would suggest that the linear model that underlies use of the classification image method is adequate over the small range of stimuli typically encountered in a classification image experiment, and that a classification image captures most important aspects of human observers' performance over this range. In a contrast discrimination task and in a shape discrimination task, we found that observers' absolute efficiencies were generally well predicted by their classification images, although consistently slightly (approximately 13%) higher than predicted. We consider whether a number of plausible nonlinearities can account for the slight under prediction, and of these we find that only a form of phase uncertainty can account for the discrepancy.

  17. Absolute calibration of optical flats

    DOEpatents

    Sommargren, Gary E.

    2005-04-05

    The invention uses the phase shifting diffraction interferometer (PSDI) to provide a true point-by-point measurement of absolute flatness over the surface of optical flats. Beams exiting the fiber optics in a PSDI have perfect spherical wavefronts. The measurement beam is reflected from the optical flat and passed through an auxiliary optic to then be combined with the reference beam on a CCD. The combined beams include phase errors due to both the optic under test and the auxiliary optic. Standard phase extraction algorithms are used to calculate this combined phase error. The optical flat is then removed from the system and the measurement fiber is moved to recombine the two beams. The newly combined beams include only the phase errors due to the auxiliary optic. When the second phase measurement is subtracted from the first phase measurement, the absolute phase error of the optical flat is obtained.

  18. Estimating Standard Errors of Cut Scores for Item Rating and Mapmark Procedures: A Generalizability Theory Approach

    ERIC Educational Resources Information Center

    Yin, Ping; Sconing, James

    2008-01-01

    Standard-setting methods are widely used to determine cut scores on a test that examinees must meet for a certain performance standard. Because standard setting is a measurement procedure, it is important to evaluate variability of cut scores resulting from the standard-setting process. Generalizability theory is used in this study to estimate…

  19. Kinetic limitations on the diffusional control theory of the ablation rate of carbon.

    NASA Technical Reports Server (NTRS)

    Maahs, H. G.

    1971-01-01

    It is shown that the theoretical maximum oxidation rate is limited in many cases even at temperatures much higher than 1650 deg K, not by oxygen transport, but by the kinetics of the carbon-oxygen reaction itself. Mass-loss rates have been calculated at air pressures of 0.01 atm, 1 atm, and 100 atm. It is found that at high temperatures the rate of the oxidation reaction is much slower than has generally been assumed on the basis of a simple linear extrapolation of Scala's 'fast' and 'slow' rate expressions. Accordingly it cannot be assumed that a transport limitation inevitably must be reached at high temperatures.

  20. Challenging lanthanide relaxation theory: erbium and thulium complexes that show NMR relaxation rates faster than dysprosium and terbium analogues.

    PubMed

    Funk, Alexander M; Harvey, Peter; Finney, Katie-Louise N A; Fox, Mark A; Kenwright, Alan M; Rogers, Nicola J; Senanayake, P Kanthi; Parker, David

    2015-07-01

    Measurements of the proton NMR paramagnetic relaxation rates for several series of isostructural lanthanide(III) complexes have been performed in aqueous solution over the field range 1.0 to 16.5 Tesla. The field dependence has been modeled using Bloch-Redfield-Wangsness theory, allowing values for the electronic relaxation time, Tle and the magnetic susceptibility, μeff, to be estimated. Anomalous relaxation rate profiles were obtained, notably for erbium and thulium complexes of low symmetry 8-coordinate aza-phosphinate complexes. Such behaviour challenges accepted theory and can be interpreted in terms of changes in Tle values that are a function of the transient ligand field induced by solvent collision and vary considerably between Ln(3+) ions, along with magnetic susceptibilities that deviate significantly from free-ion values. PMID:26051749

  1. An Estimation of Turbulent Kinetic Energy and Energy Dissipation Rate Based on Atmospheric Boundary Layer Similarity Theory

    NASA Technical Reports Server (NTRS)

    Han, Jongil; Arya, S. Pal; Shaohua, Shen; Lin, Yuh-Lang; Proctor, Fred H. (Technical Monitor)

    2000-01-01

    Algorithms are developed to extract atmospheric boundary layer profiles for turbulence kinetic energy (TKE) and energy dissipation rate (EDR), with data from a meteorological tower as input. The profiles are based on similarity theory and scalings for the atmospheric boundary layer. The calculated profiles of EDR and TKE are required to match the observed values at 5 and 40 m. The algorithms are coded for operational use and yield plausible profiles over the diurnal variation of the atmospheric boundary layer.

  2. Variation in scorpion metabolic rate and rate-temperature relationships: implications for the fundamental equation of the metabolic theory of ecology.

    PubMed

    Terblanche, J S; Janion, C; Chown, S L

    2007-07-01

    The fundamental equation of the metabolic theory of ecology (MTE) indicates that most of the variation in metabolic rate are a consequence of variation in organismal size and environmental temperature. Although evolution is thought to minimize energy costs of nutrient transport, its effects on metabolic rate via adaptation, acclimatization or acclimation are considered small, and restricted mostly to variation in the scaling constant, b(0). This contrasts strongly with many conclusions of evolutionary physiology and life-history theory, making closer examination of the fundamental equation an important task for evolutionary biologists. Here we do so using scorpions as model organisms. First, we investigate the implications for the fundamental equation of metabolic rate variation and its temperature dependence in the scorpion Uroplectes carinatus following laboratory acclimation. During 22 days of acclimation at 25 degrees C metabolic rates declined significantly (from 127.4 to 78.2 microW; P = 0.0001) whereas mean body mass remained constant (367.9-369.1 mg; P = 0.999). In field-fresh scorpions, metabolic rate-temperature (MRT) relationships varied substantially within and among individuals, and therefore had low repeatability values (tau = 0.02) and no significant among-individual variation (P = 0.181). However, acclimation resulted in a decline in within-individual variation of MRT slopes which subsequently revealed significant differences among individuals (P = 0.0031) and resulted in a fourfold increase in repeatability values (tau = 0.08). These results highlight the fact that MRT relationships can show substantial, directional variation within individuals over time. Using a randomization model we demonstrate that the reduction in metabolic rate with acclimation while body mass remains constant causes a decline both in the value of the mass-scaling exponent and the coefficient of determination. Furthermore, interspecific comparisons of activation energy, E

  3. Absolute radiometric calibration of the CCRS SAR

    NASA Astrophysics Data System (ADS)

    Ulander, Lars M. H.; Hawkins, Robert K.; Livingstone, Charles E.; Lukowski, Tom I.

    1991-11-01

    Determining the radar scattering coefficients from SAR (synthetic aperture radar) image data requires absolute radiometric calibration of the SAR system. The authors describe an internal calibration methodology for the airborne Canada Centre for Remote Sensing (CCRS) SAR system, based on radar theory, a detailed model of the radar system, and measurements of system parameters. The methodology is verified by analyzing external calibration data acquired over a 6-month period in 1988 by the C-band radar using HH polarization. The results indicate that the overall error is +/- 0.8 dB (1-sigma) for incidence angles +/- 20 deg from antenna boresight. The dominant error contributions are due to the antenna radome and uncertainties in the elevation angle relative to the antenna boresight.

  4. Absolute geostrophic currents in global tropical oceans

    NASA Astrophysics Data System (ADS)

    Yang, Lina; Yuan, Dongliang

    2016-11-01

    A set of absolute geostrophic current (AGC) data for the period January 2004 to December 2012 are calculated using the P-vector method based on monthly gridded Argo profiles in the world tropical oceans. The AGCs agree well with altimeter geostrophic currents, Ocean Surface Current Analysis-Real time currents, and moored current-meter measurements at 10-m depth, based on which the classical Sverdrup circulation theory is evaluated. Calculations have shown that errors of wind stress calculation, AGC transport, and depth ranges of vertical integration cannot explain non-Sverdrup transport, which is mainly in the subtropical western ocean basins and equatorial currents near the Equator in each ocean basin (except the North Indian Ocean, where the circulation is dominated by monsoons). The identified non-Sverdrup transport is thereby robust and attributed to the joint effect of baroclinicity and relief of the bottom (JEBAR) and mesoscale eddy nonlinearity.

  5. Role of metabolic rate and DNA-repair in Drosophila aging Implications for the mitochondrial mutation theory of aging

    NASA Technical Reports Server (NTRS)

    Miquel, J.; Binnard, R.; Fleming, J. E.

    1983-01-01

    The notion that injury to mitochondrial DNA is a cause of intrinsic aging was tested by correlating the different respiration rates of several wild strains of Drosophila melanogaster with the life-spans. Respiration rate and aging in a mutant of D. melanogaster deficient in postreplication repair were also investigated. In agreement with the rate of living theory, there was an inverse relation between oxygen consumption and median life-span in flies having normal DNA repair. The mutant showed an abnormally low life-span as compared to the controls and also exhibited significant deficiency in mating fitness and a depressed metabolic rate. Therefore, the short life-span of the mutant may be due to the congenital condition rather than to accelerated aging.

  6. Application of Psychometric Theory to the Measurement of Voice Quality Using Rating Scales

    ERIC Educational Resources Information Center

    Shrivastav, Rahul; Sapienza, Christine M.; Nandur, Vuday

    2005-01-01

    Rating scales are commonly used to study voice quality. However, recent research has demonstrated that perceptual measures of voice quality obtained using rating scales suffer from poor interjudge agreement and reliability, especially in the midrange of the scale. These findings, along with those obtained using multidimensional scaling (MDS), have…

  7. Confirmation of linear system theory prediction: Rate of change of Herrnstein's kappa as a function of response-force requirement.

    PubMed

    McDowell, J J; Wood, H M

    1985-01-01

    Four human subjects worked on all combinations of five variable-interval schedules and five reinforcer magnitudes ( cent/reinforcer) in each of two phases of the experiment. In one phase the force requirement on the operandum was low (1 or 11 N) and in the other it was high (25 or 146 N). Estimates of Herrnstein's kappa were obtained at each reinforcer magnitude. The results were: (1) response rate was more sensitive to changes in reinforcement rate at the high than at the low force requirement, (2) kappa increased from the beginning to the end of the magnitude range for all subjects at both force requirements, (3) the reciprocal of kappa was a linear function of the reciprocal of reinforcer magnitude for seven of the eight data sets, and (4) the rate of change of kappa was greater at the high than at the low force requirement by an order of magnitude or more. The second and third findings confirm predictions made by linear system theory, and replicate the results of an earlier experiment (McDowell & Wood, 1984). The fourth finding confirms a further prediction of the theory and supports the theory's interpretation of conflicting data on the constancy of Herrnstein's kappa.

  8. Confirmation of linear system theory prediction: Rate of change of Herrnstein's κ as a function of response-force requirement

    PubMed Central

    McDowell, J. J; Wood, Helena M.

    1985-01-01

    Four human subjects worked on all combinations of five variable-interval schedules and five reinforcer magnitudes (¢/reinforcer) in each of two phases of the experiment. In one phase the force requirement on the operandum was low (1 or 11 N) and in the other it was high (25 or 146 N). Estimates of Herrnstein's κ were obtained at each reinforcer magnitude. The results were: (1) response rate was more sensitive to changes in reinforcement rate at the high than at the low force requirement, (2) κ increased from the beginning to the end of the magnitude range for all subjects at both force requirements, (3) the reciprocal of κ was a linear function of the reciprocal of reinforcer magnitude for seven of the eight data sets, and (4) the rate of change of κ was greater at the high than at the low force requirement by an order of magnitude or more. The second and third findings confirm predictions made by linear system theory, and replicate the results of an earlier experiment (McDowell & Wood, 1984). The fourth finding confirms a further prediction of the theory and supports the theory's interpretation of conflicting data on the constancy of Herrnstein's κ. PMID:16812408

  9. Multipath variational transition state theory: rate constant of the 1,4-hydrogen shift isomerization of the 2-cyclohexylethyl radical.

    PubMed

    Yu, Tao; Zheng, Jingjing; Truhlar, Donald G

    2012-01-12

    We propose a new formulation of variational transition state theory called multipath variational transition state theory (MP-VTST). We employ this new formulation to calculate the forward and reverse thermal rate constant of the 1,4-hydrogen shift isomerization of the 2-cyclohexylethyl radical in the gas phase. First, we find and optimize all the local-minimum-energy structures of the reaction, product, and transition state. Then, for the lowest-energy transition state structures, we calculate the reaction path by using multiconfiguration Shepard interpolation (MSCI) method to represent the potential energy surface, and, from this representation, we also calculate the ground-state vibrationally adiabatic potential energy curve, the reaction-path curvature vector, and the generalized free energy of activation profile. With this information, the path-averaged generalized transmission coefficients <γ> are evaluated. Then, thermal rate constant containing the multiple-structure anharmonicity and torsional anharmonicity effects is calculated using multistructural transition state theory (MS-TST). The final MP-VTST thermal rate constant is obtained by multiplying k(MS-T)(MS-TST) by <γ>. In these calculations, the M06 density functional is utilized to compute the energy, gradient, and Hessian at the Shepard points, and the M06-2X density functional is used to obtain the structures (conformers) of the reactant, product, and the saddle point for computing the multistructural anharmonicity factors.

  10. Computing decay rates for new physics theories with FEYNRULES and MADGRAPH 5_AMC@NLO

    NASA Astrophysics Data System (ADS)

    Alwall, Johan; Duhr, Claude; Fuks, Benjamin; Mattelaer, Olivier; Öztürk, Deniz Gizem; Shen, Chia-Hsien

    2015-12-01

    We present new features of the FEYNRULES and MADGRAPH 5_AMC@NLO programs for the automatic computation of decay widths that consistently include channels of arbitrary final-state multiplicity. The implementations are generic enough so that they can be used in the framework of any quantum field theory, possibly including higher-dimensional operators. We extend at the same time the conventions of the Universal FEYNRULES Output (or UFO) format to include decay tables and information on the total widths. We finally provide a set of representative examples of the usage of the new functions of the different codes in the framework of the Standard Model, the Higgs Effective Field Theory, the Strongly Interacting Light Higgs model and the Minimal Supersymmetric Standard Model and compare the results to available literature and programs for validation purposes.

  11. Effects of simulated increased gravity on the rate of aging of rats - Implications for the rate of living theory of aging

    NASA Technical Reports Server (NTRS)

    Economos, A. C.; Ballard, R. C.; Blunden, M.; Miquel, J.; Lindseth, K. A.; Fleming, J.; Philpott, D. E.; Oyama, J.

    1982-01-01

    It was found that the rate of aging of 17 month old rats which had been exposed to 3.14 times normal gravity in an animal centrifuge for 8 months was larger than that of the controls as determined by the apparently elevated lipofuscin content in heart and kidney, reduced numbers and increased size of mitochondria of heart tissue, and inferior liver mitochondria respiration. Steady-state food intake per day per kg body weight, which is presumably proportional to rate of living or specific basal metabolic expenditure, was found to be about 18 percent higher than in the controls after an initial 2 month adaptation period. Although half of the centrifuged animals lived only a little shorter than the controls (average about 343 vs. 364 days on the average, statistically nonsignificant), the remaining half (longest survivors) lived on the centrifuge an average of 520 days (range 483-572) compared to an average of 574 days (range 502-615) for the controls, computed from the onset of centrifugation, or 11 percent shorter. These findings indicate that a moderate increase of the level of basal metabolism of young adult rats adapted to hypergravity compared to controls in normal gravity is accompanied by a roughly similar increase in the rate of organ aging and reduction of survival, in agreement with Pearl's (1928) rate of living theory of aging, previously experimentally demonstrated only in poikilotherms.

  12. STS-9 Shuttle grow - Ram angle effect and absolute intensities

    NASA Technical Reports Server (NTRS)

    Swenson, G. R.; Mende, S. B.; Clifton, K. S.

    1986-01-01

    Visible imagery from Space Shuttle mission STS-9 (Spacelab 1) has been analyzed for the ram angle effect and the absolute intensity of glow. The data are compared with earlier measurements and the anomalous high intensities at large ram angles are confirmed. Absolute intensities of the ram glow on the shuttle tile, at 6563 A, are observed to be about 20 times more intense than those measured on the AE-E spacecraft. Implications of these observations for an existing theory of glow involving NO2 are presented.

  13. Method to obtain absolute impurity density profiles combining charge exchange and beam emission spectroscopy without absolute intensity calibrationa)

    NASA Astrophysics Data System (ADS)

    Kappatou, A.; Jaspers, R. J. E.; Delabie, E.; Marchuk, O.; Biel, W.; Jakobs, M. A.

    2012-10-01

    Investigation of impurity transport properties in tokamak plasmas is essential and a diagnostic that can provide information on the impurity content is required. Combining charge exchange recombination spectroscopy (CXRS) and beam emission spectroscopy (BES), absolute radial profiles of impurity densities can be obtained from the CXRS and BES intensities, electron density and CXRS and BES emission rates, without requiring any absolute calibration of the spectra. The technique is demonstrated here with absolute impurity density radial profiles obtained in TEXTOR plasmas, using a high efficiency charge exchange spectrometer with high etendue, that measures the CXRS and BES spectra along the same lines-of-sight, offering an additional advantage for the determination of absolute impurity densities.

  14. The Modellers' Halting Foray into Ecological Theory: Or, What is This Thing Called 'Growth Rate'?

    PubMed

    Deveau, Michael; Karsten, Richard; Teismann, Holger

    2015-06-01

    This discussion paper describes the attempt of an imagined group of non-ecologists ("Modellers") to determine the population growth rate from field data. The Modellers wrestle with the multiple definitions of the growth rate available in the literature and the fact that, in their modelling, it appears to be drastically model-dependent, which seems to throw into question the very concept itself. Specifically, they observe that six representative models used to capture the data produce growth-rate values, which differ significantly. Almost ready to concede that the problem they set for themselves is ill-posed, they arrive at an alternative point of view that not only preserves the identity of the concept of the growth rate, but also helps discriminate between competing models for capturing the data. This is accomplished by assessing how robustly a given model is able to generate growth-rate values from randomized time-series data. This leads to the proposal of an iterative approach to ecological modelling in which the definition of theoretical concepts (such as the growth rate) and model selection complement each other. The paper is based on high-quality field data of mites on apple trees and may be called a "data-driven opinion piece".

  15. Absolute cross sections with polarization effects in Ne{sup {asterisk}}(2p{sup 5}3p)+He collisions: A detailed comparison between theory and experiment

    SciTech Connect

    Bahrim, C. |; Kucal, H.; Masnou-Seeuws, F.

    1997-08-01

    Quantal calculations are presented for intramultiplet mixing collisions of Ne{sup {asterisk}}(2p{sup 5}3p) with He({sup 1}S{sub 0}) in the 60{endash}1250 meV collision energy range. The coupled equations are solved in a diabatic representation where the coupling terms are obtained using the model potential calculations of Hennecart and Masnou-Seeuws [J. Phys. B {bold 18}, 657 (1985)] for the interaction of the Ne{sup {asterisk}} outer electron with the two cores and values fitted on the spectroscopic data of Dabrowski and Herzberg [Mol. Spectrosc. {bold 73}, 183 (1978)] for the core-core interaction. An extensive comparison with the experimental data of the Eindhoven group is presented for absolute polarized cross sections and anisotropy parameters. Very good agreement is obtained with thermal energy data of Manders {ital et al.} [Phys. Rev. A {bold 39}, 4467 (1989)], while the systematic 30{endash}40{percent} discrepancy with superthermal data of Boom {ital et al.} [Phys. Rev. A {bold 49}, 4660 (1994)] might be attributed to a calibration problem in the experiment rather than to an inaccuracy in the long-range potentials. {copyright} {ital 1997} {ital The American Physical Society}

  16. The AFGL absolute gravity program

    NASA Technical Reports Server (NTRS)

    Hammond, J. A.; Iliff, R. L.

    1978-01-01

    A brief discussion of the AFGL's (Air Force Geophysics Laboratory) program in absolute gravity is presented. Support of outside work and in-house studies relating to gravity instrumentation are discussed. A description of the current transportable system is included and the latest results are presented. These results show good agreement with measurements at the AFGL site by an Italian system. The accuracy obtained by the transportable apparatus is better than 0.1 microns sq sec 10 microgal and agreement with previous measurements is within the combined uncertainties of the measurements.

  17. Familial Aggregation of Absolute Pitch

    PubMed Central

    Baharloo, Siamak; Service, Susan K.; Risch, Neil; Gitschier, Jane; Freimer, Nelson B.

    2000-01-01

    Absolute pitch (AP) is a behavioral trait that is defined as the ability to identify the pitch of tones in the absence of a reference pitch. AP is an ideal phenotype for investigation of gene and environment interactions in the development of complex human behaviors. Individuals who score exceptionally well on formalized auditory tests of pitch perception are designated as “AP-1.” As described in this report, auditory testing of siblings of AP-1 probands and of a control sample indicates that AP-1 aggregates in families. The implications of this finding for the mapping of loci for AP-1 predisposition are discussed. PMID:10924408

  18. Time-dependent density-functional-theory calculation of strong-field ionization rates of H2

    NASA Astrophysics Data System (ADS)

    Chu, Xi

    2010-08-01

    We report a numerical study of strong-field ionization rates of the H2 molecule using time-dependent density-functional theory (TDDFT). In the dc field limit, TDDFT results for the rate of tunneling ionization agree with molecular Ammosov-Delone-Kralnov (MO-ADK) predictions, as well as results from a complex scaling method at the full configuration interaction level. Our study demonstrates the effect of photon energy, molecular vibration, and orientation on the ionization. Calculated rates for 800-nm lasers are about four times greater than the values predicted by the slowly varying field approximation for tunneling ionization. The rate for the ground vibrational state is higher than that of the fixed nuclei value at the equilibrium distance. This difference decreases with increasing field intensity. When the field intensity is sufficiently high, the two rates are very similar, and the fixed nuclear distance rate may be used to approximate the ground-vibrational-state rate. TDDFT methods predict an anisotropy slightly larger than the prediction obtained from the MO-ADK method. We also find that the field intensity plays a role in the anisotropy, which the MO-ADK results do not show.

  19. Examining the limits of time reweighting and Kramers' rate theory to obtain correct kinetics from accelerated molecular dynamics.

    PubMed

    Xin, Yao; Doshi, Urmi; Hamelberg, Donald

    2010-06-14

    Accelerated molecular dynamics simulations are routinely being used to recover the correct canonical probability distributions corresponding to the original potential energy landscape of biomolecular systems. However, the limits of time reweighting, based on transition state theory, in obtaining true kinetic rates from accelerated molecular dynamics for biomolecular systems are less obvious. Here, we investigate this issue by studying the kinetics of cis-trans isomerization of peptidic omega bond by accelerated molecular dynamics. We find that time reweighting is valid for obtaining true kinetics when the original potential is not altered at the transition state regions, as expected. When the original potential landscape is modified such that the applied boost potential alters the transition state regions, time reweighting fails to reproduce correct kinetics and the reweighted rate is much slower than the true rate. By adopting the overdamped limit of Kramers' rate theory, we are successful in recovering correct kinetics irrespective of whether or not the transition state regions are modified. Furthermore, we tested the validity of the acceleration weight factor from the path integral formalism for obtaining the correct kinetics of cis-trans isomerization. It was found that this formulation of the weight factor is not suitable for long time scale processes such as cis-trans isomerization with high energy barriers.

  20. How enzymes work: analysis by modern rate theory and computer simulations.

    PubMed

    Garcia-Viloca, Mireia; Gao, Jiali; Karplus, Martin; Truhlar, Donald G

    2004-01-01

    Advances in transition state theory and computer simulations are providing new insights into the sources of enzyme catalysis. Both lowering of the activation free energy and changes in the generalized transmission coefficient (recrossing of the transition state, tunneling, and nonequilibrium contributions) can play a role. A framework for understanding these effects is presented, and the contributions of the different factors, as illustrated by specific enzymes, are identified and quantified by computer simulations. The resulting understanding of enzyme catalysis is used to comment on alternative proposals of how enzymes work.

  1. Analytical Theory of the Destruction Terms in Dissipation Rate Transport Equations

    NASA Technical Reports Server (NTRS)

    Rubinstein, Robert; Zhou, Ye

    1996-01-01

    Modeled dissipation rate transport equations are often derived by invoking various hypotheses to close correlations in the corresponding exact equations. D. C. Leslie suggested that these models might be derived instead from Kraichnan's wavenumber space integrals for inertial range transport power. This suggestion is applied to the destruction terms in the dissipation rate equations for incompressible turbulence, buoyant turbulence, rotating incompressible turbulence, and rotating buoyant turbulence. Model constants like C(epsilon 2) are expressed as integrals; convergence of these integrals implies the absence of Reynolds number dependence in the corresponding destruction term. The dependence of C(epsilon 2) on rotation rate emerges naturally; sensitization of the modeled dissipation rate equation to rotation is not required. A buoyancy related effect which is absent in the exact transport equation for temperature variance dissipation, but which sometimes improves computational predictions, also arises naturally. Both the presence of this effect and the appropriate time scale in the modeled transport equation depend on whether Bolgiano or Kolmogorov inertial range scaling applies. A simple application of these methods leads to a preliminary, dissipation rate equation for rotating buoyant turbulence.

  2. Impact comminution of solids due to local kinetic energy of high shear strain rate: I. Continuum theory and turbulence analogy

    NASA Astrophysics Data System (ADS)

    Bažant, Zdeněk P.; Caner, Ferhun C.

    2014-03-01

    The modeling of high velocity impact into brittle or quasibrittle solids is hampered by the unavailability of a constitutive model capturing the effects of material comminution into very fine particles. The present objective is to develop such a model, usable in finite element programs. The comminution at very high strain rates can dissipate a large portion of the kinetic energy of an impacting missile. The spatial derivative of the energy dissipated by comminution gives a force resisting the penetration, which is superposed on the nodal forces obtained from the static constitutive model in a finite element program. The present theory is inspired partly by Grady's model for expansive comminution due to explosion inside a hollow sphere, and partly by analogy with turbulence. In high velocity turbulent flow, the energy dissipation rate gets enhanced by the formation of micro-vortices (eddies) which dissipate energy by viscous shear stress. Similarly, here it is assumed that the energy dissipation at fast deformation of a confined solid gets enhanced by the release of kinetic energy of the motion associated with a high-rate shear strain of forming particles. For simplicity, the shape of these particles in the plane of maximum shear rate is considered to be regular hexagons. The particle sizes are assumed to be distributed according to the Schuhmann power law. The condition that the rate of release of the local kinetic energy must be equal to the interface fracture energy yields a relation between the particle size, the shear strain rate, the fracture energy and the mass density. As one experimental justification, the present theory agrees with Grady's empirical observation that, in impact events, the average particle size is proportional to the (-2/3) power of the shear strain rate. The main characteristic of the comminution process is a dimensionless number Ba (Eq. (37)) representing the ratio of the local kinetic energy of shear strain rate to the maximum possible

  3. Evaluation of Reaction Rate Theory and Monte Carlo Methods for Application to Radiation-Induced Microstructural Characterization

    SciTech Connect

    Stoller, Roger E; Golubov, Stanislav I; Becquart, C. S.; Domain, C.

    2007-08-01

    The multiscale modeling scheme encompasses models from the atomistic to the continuum scale. Phenomena at the mesoscale are typically simulated using reaction rate theory, Monte Carlo, or phase field models. These mesoscale models are appropriate for application to problems that involve intermediate length scales, and timescales from those characteristic of diffusion to long-term microstructural evolution (~s to years). Although the rate theory and Monte Carlo models can be used simulate the same phenomena, some of the details are handled quite differently in the two approaches. Models employing the rate theory have been extensively used to describe radiation-induced phenomena such as void swelling and irradiation creep. The primary approximations in such models are time- and spatial averaging of the radiation damage source term, and spatial averaging of the microstructure into an effective medium. Kinetic Monte Carlo models can account for these spatial and temporal correlations; their primary limitation is the computational burden which is related to the size of the simulation cell. A direct comparison of RT and object kinetic MC simulations has been made in the domain of point defect cluster dynamics modeling, which is relevant to the evolution (both nucleation and growth) of radiation-induced defect structures. The primary limitations of the OKMC model are related to computational issues. Even with modern computers, the maximum simulation cell size and the maximum dose (typically much less than 1 dpa) that can be simulated are limited. In contrast, even very detailed RT models can simulate microstructural evolution for doses up 100 dpa or greater in clock times that are relatively short. Within the context of the effective medium, essentially any defect density can be simulated. Overall, the agreement between the two methods is best for irradiation conditions which produce a high density of defects (lower temperature and higher displacement rate), and for

  4. Chemically frozen multicomponent boundary layer theory of salt and/or ash deposition rates from combustion gases

    NASA Technical Reports Server (NTRS)

    Rosner, D. E.; Chen, B.-K.; Fryburg, G. C.; Kohl, F. J.

    1979-01-01

    There is increased interest in, and concern about, deposition and corrosion phenomena in combustion systems containing inorganic condensible vapors and particles (salts, ash). To meet the need for a computationally tractable deposition rate theory general enough to embrace multielement/component situations of current and future gas turbine and magnetogasdynamic interest, a multicomponent chemically 'frozen' boundary layer (CFBL) deposition theory is presented and its applicability to the special case of Na2SO4 deposition from seeded laboratory burner combustion products is demonstrated. The coupled effects of Fick (concentration) diffusion and Soret (thermal) diffusion are included, along with explicit corrections for effects of variable properties and free stream turbulence. The present formulation is sufficiently general to include the transport of particles provided they are small enough to be formally treated as heavy molecules. Quantitative criteria developed to delineate the domain of validity of CFBL-rate theory suggest considerable practical promise for the present framework, which is characterized by relatively modest demands for new input information and computer time.

  5. Application of decision-making theory to the regulation of muscular work rate during self-paced competitive endurance activity.

    PubMed

    Renfree, Andrew; Martin, Louise; Micklewright, Dominic; St Clair Gibson, Alan

    2014-02-01

    Successful participation in competitive endurance activities requires continual regulation of muscular work rate in order to maximise physiological performance capacities, meaning that individuals must make numerous decisions with regards to the muscular work rate selected at any point in time. Decisions relating to the setting of appropriate goals and the overall strategic approach to be utilised are made prior to the commencement of an event, whereas tactical decisions are made during the event itself. This review examines current theories of decision-making in an attempt to explain the manner in which regulation of muscular work is achieved during athletic activity. We describe rational and heuristic theories, and relate these to current models of regulatory processes during self-paced exercise in an attempt to explain observations made in both laboratory and competitive environments. Additionally, we use rational and heuristic theories in an attempt to explain the influence of the presence of direct competitors on the quality of the decisions made during these activities. We hypothesise that although both rational and heuristic models can plausibly explain many observed behaviours in competitive endurance activities, the complexity of the environment in which such activities occur would imply that effective rational decision-making is unlikely. However, at present, many proposed models of the regulatory process share similarities with rational models. We suggest enhanced understanding of the decision-making process during self-paced activities is crucial in order to improve the ability to understand regulation of performance and performance outcomes during athletic activity.

  6. Application of decision-making theory to the regulation of muscular work rate during self-paced competitive endurance activity.

    PubMed

    Renfree, Andrew; Martin, Louise; Micklewright, Dominic; St Clair Gibson, Alan

    2014-02-01

    Successful participation in competitive endurance activities requires continual regulation of muscular work rate in order to maximise physiological performance capacities, meaning that individuals must make numerous decisions with regards to the muscular work rate selected at any point in time. Decisions relating to the setting of appropriate goals and the overall strategic approach to be utilised are made prior to the commencement of an event, whereas tactical decisions are made during the event itself. This review examines current theories of decision-making in an attempt to explain the manner in which regulation of muscular work is achieved during athletic activity. We describe rational and heuristic theories, and relate these to current models of regulatory processes during self-paced exercise in an attempt to explain observations made in both laboratory and competitive environments. Additionally, we use rational and heuristic theories in an attempt to explain the influence of the presence of direct competitors on the quality of the decisions made during these activities. We hypothesise that although both rational and heuristic models can plausibly explain many observed behaviours in competitive endurance activities, the complexity of the environment in which such activities occur would imply that effective rational decision-making is unlikely. However, at present, many proposed models of the regulatory process share similarities with rational models. We suggest enhanced understanding of the decision-making process during self-paced activities is crucial in order to improve the ability to understand regulation of performance and performance outcomes during athletic activity. PMID:24113898

  7. Philosophy of the Spike: Rate-Based vs. Spike-Based Theories of the Brain

    PubMed Central

    Brette, Romain

    2015-01-01

    Does the brain use a firing rate code or a spike timing code? Considering this controversial question from an epistemological perspective, I argue that progress has been hampered by its problematic phrasing. It takes the perspective of an external observer looking at whether those two observables vary with stimuli, and thereby misses the relevant question: which one has a causal role in neural activity? When rephrased in a more meaningful way, the rate-based view appears as an ad hoc methodological postulate, one that is practical but with virtually no empirical or theoretical support. PMID:26617496

  8. Transient absolute robustness in stochastic biochemical networks.

    PubMed

    Enciso, German A

    2016-08-01

    Absolute robustness allows biochemical networks to sustain a consistent steady-state output in the face of protein concentration variability from cell to cell. This property is structural and can be determined from the topology of the network alone regardless of rate parameters. An important question regarding these systems is the effect of discrete biochemical noise in the dynamical behaviour. In this paper, a variable freezing technique is developed to show that under mild hypotheses the corresponding stochastic system has a transiently robust behaviour. Specifically, after finite time the distribution of the output approximates a Poisson distribution, centred around the deterministic mean. The approximation becomes increasingly accurate, and it holds for increasingly long finite times, as the total protein concentrations grow to infinity. In particular, the stochastic system retains a transient, absolutely robust behaviour corresponding to the deterministic case. This result contrasts with the long-term dynamics of the stochastic system, which eventually must undergo an extinction event that eliminates robustness and is completely different from the deterministic dynamics. The transiently robust behaviour may be sufficient to carry out many forms of robust signal transduction and cellular decision-making in cellular organisms. PMID:27581485

  9. Articulated Multimedia Physics, Lesson 14, Gases, The Gas Laws, and Absolute Temperature.

    ERIC Educational Resources Information Center

    New York Inst. of Tech., Old Westbury.

    As the fourteenth lesson of the Articulated Multimedia Physics Course, instructional materials are presented in this study guide with relation to gases, gas laws, and absolute temperature. The topics are concerned with the kinetic theory of gases, thermometric scales, Charles' law, ideal gases, Boyle's law, absolute zero, and gas pressures. The…

  10. Work Adjustment Theory: An Empirical Test Using a Fuzzy Rating Scale.

    ERIC Educational Resources Information Center

    Hesketh, Beryl; And Others

    1992-01-01

    A fuzzy graphic rating scale elicited work preferences and job perceptions of 166 (of 170) Australian bank employees. Correspondence between preferences and perceptions correlated significantly with job satisfaction. Satisfaction and performance related to tenure intentions; this relation was higher for poorer performers. (SK)

  11. Implementation of Improved Transverse Shear Calculations and Higher Order Laminate Theory Into Strain Rate Dependent Analyses of Polymer Matrix Composites

    NASA Technical Reports Server (NTRS)

    Zhu, Lin-Fa; Kim, Soo; Chattopadhyay, Aditi; Goldberg, Robert K.

    2004-01-01

    A numerical procedure has been developed to investigate the nonlinear and strain rate dependent deformation response of polymer matrix composite laminated plates under high strain rate impact loadings. A recently developed strength of materials based micromechanics model, incorporating a set of nonlinear, strain rate dependent constitutive equations for the polymer matrix, is extended to account for the transverse shear effects during impact. Four different assumptions of transverse shear deformation are investigated in order to improve the developed strain rate dependent micromechanics model. The validities of these assumptions are investigated using numerical and theoretical approaches. A method to determine through the thickness strain and transverse Poisson's ratio of the composite is developed. The revised micromechanics model is then implemented into a higher order laminated plate theory which is modified to include the effects of inelastic strains. Parametric studies are conducted to investigate the mechanical response of composite plates under high strain rate loadings. Results show the transverse shear stresses cannot be neglected in the impact problem. A significant level of strain rate dependency and material nonlinearity is found in the deformation response of representative composite specimens.

  12. Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactions.

    PubMed Central

    Zhou, H X; Szabo, A

    1996-01-01

    A general formalism is developed for calculating the time-dependent rate coefficient k(t) of an irreversible diffusion-influenced reaction. This formalism allows one to treat most factors that affect k(t), including rotational Brownian motion and conformational gating of reactant molecules and orientation constraint for product formation. At long times k(t) is shown to have the asymptotic expansion k(infinity)[1 + k(infinity) (pie Dt)-1/2 /4 pie D + ...], where D is the relative translational diffusion constant. An approximate analytical method for calculating k(t) is presented. This is based on the approximation that the probability density of the reactant pair in the reactive region keeps the equilibrium distribution but with a decreasing amplitude. The rate coefficient then is determined by the Green function in the absence of chemical reaction. Within the framework of this approximation, two general relations are obtained. The first relation allows the rate coefficient for an arbitrary amplitude of the reactivity to be found if the rate coefficient for one amplitude of the reactivity is known. The second relation allows the rate coefficient in the presence of conformational gating to be found from that in the absence of conformational gating. The ratio k(t)/k(0) is shown to be the survival probability of the reactant pair at time t starting from an initial distribution that is localized in the reactive region. This relation forms the basis of the calculation of k(t) through Brownian dynamics simulations. Two simulation procedures involving the propagation of nonreactive trajectories initiated only from the reactive region are described and illustrated on a model system. Both analytical and simulation results demonstrate the accuracy of the equilibrium-distribution approximation method. PMID:8913584

  13. A dual theory of price and value in a meso-scale economic model with stochastic profit rate

    NASA Astrophysics Data System (ADS)

    Greenblatt, R. E.

    2014-12-01

    The problem of commodity price determination in a market-based, capitalist economy has a long and contentious history. Neoclassical microeconomic theories are based typically on marginal utility assumptions, while classical macroeconomic theories tend to be value-based. In the current work, I study a simplified meso-scale model of a commodity capitalist economy. The production/exchange model is represented by a network whose nodes are firms, workers, capitalists, and markets, and whose directed edges represent physical or monetary flows. A pair of multivariate linear equations with stochastic input parameters represent physical (supply/demand) and monetary (income/expense) balance. The input parameters yield a non-degenerate profit rate distribution across firms. Labor time and price are found to be eigenvector solutions to the respective balance equations. A simple relation is derived relating the expected value of commodity price to commodity labor content. Results of Monte Carlo simulations are consistent with the stochastic price/labor content relation.

  14. A Comparison of Arrhenius and Macromolecular Rate Theory for Predicting Temperature Responses of Soil CO2 Production

    NASA Astrophysics Data System (ADS)

    Alster, C. J.; Koyama, A.; Johnson, N. G.; von Fischer, J.

    2015-12-01

    Soil microbes catalyze many key ecosystem functions, including soil respiration, and are thus important for understanding global carbon cycles and other biogeochemical cycles. One important component in predicting rates of respiration is determining how microbial communities respond to temperature. A range of models have been developed for determining temperature sensitivity of soil biological activities, most of which are based on the Arrhenius equation. This equation predicts an exponential increase in rate with temperature, despite field and laboratory results suggesting a temperature optimum below the denaturation point. Recently, Schipper et al. (2014) developed a novel theory, Macromolecular Rate Theory (MMRT), which explains this trend due to heat capacity (CP) changes associated with enzymes. We applied MMRT to respiration data collected using a reciprocal transplant design with soils from three different sites across the U.S. Great Plains to isolate the effects of microbial community type from edaphic factors. We found that MMRT provided a better fit to the data than Arrhenius in 8 out of the 9 soil x inocula combinations. Our analysis revealed that the microbial communities have distinct CP values largely independent of soil type. These results have significant implications for fundamental understanding of microbial enzyme dynamics in soils as well as for ecosystem and global carbon modeling.

  15. Modeling of the mass transfer rates of metal ions across supported liquid membranes. 1: Theory

    SciTech Connect

    Elhassadi, A.A.; Do, D.D.

    1999-01-01

    This paper deals with the modeling of the transport and separation of metal ions across supported liquid membranes. The mass transfer resistance at the liquid-membrane interfaces and the interfacial chemical reactions at both the extracting side and the stripping side are taken into account in the model equations. Simple analysis of the time scale of the system shows the influence of various important parameters and their interactions on the overall transport rate. Parametric studies are also dealt with in this paper.

  16. Measurement of absolute state-to-state rate constants for collision-induced transitions between spin-orbit and rotational states of NO(X 2Π, v = 2)

    NASA Astrophysics Data System (ADS)

    Sudbø, Aa. S.; Loy, M. M. T.

    1982-04-01

    Using a pulsed, time resolved IR-UV double resonance technique, we have measured initial and final state specific rates for collision-induced rotational and spin-orbit transitions in NO in its (X 2Π, v = 2) vibronic state. A systematic study of the rates was done for initial and final rotational states with J between 1/2 and 35/2, for both Ω = 1/2 and the Ω = 3/2 spin-orbit components of the X 2Π state. Collision partners were room temperature NO, He, Ar, N2, CO, and SF6. No propensity rules favoring ΔΩ = 0 or ΔJ = 0,±1 were observed, except in NO-He collisions, where ΔΩ = 0 was favored. The state-to-state rates do not vary much with initial state and fall off slowly with increasing ΔJ. Total cross sections for collision-induced rotational transitions were found to be tens of Å2, insensitive to initial state, and correlated with the size of the collision partner.

  17. The reaction NH2 + PH3 yields NH3 + PH2: Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be independent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then constrasted with those for the corresponding reactions of H and OH with PH3.

  18. The reaction NH2 + PH3 yields NH3 + PH2 - Absolute rate constant measurement and implication for NH3 and PH3 photochemistry in the atmosphere of Jupiter

    NASA Technical Reports Server (NTRS)

    Bosco, S. R.; Brobst, W. D.; Nava, D. F.; Stief, L. J.

    1983-01-01

    The rate constant is measured over the temperature interval 218-456 K using the technique of flash photolysis-laser-induced fluorescence. NH2 radicals are produced by the flash photolysis of ammonia highly diluted in argon, and the decay of fluorescent NH2 photons is measured by multiscaling techniques. For each of the five temperatures employed in the study, the results are shown to be indepenent of variations in PH3 concentration, total pressure (argon), and flash intensity. It is found that the rate constant results are best represented for T between 218 and 456 K by the expression k = (1.52 + or - 0.16) x 10 to the -12th exp(-928 + or - 56/T) cu cm per molecule per sec; the error quoted is 1 standard deviation. This is the first determination of the rate constant for the reaction NH2 + PH3. The data are compared with an estimate made in order to explain results of the radiolysis of NH3-PH3 mixtures. The Arrhenius parameters determined here for NH2 + PH3 are then contrasted with those for the corresponding reactions of H and OH with PH3.

  19. Comparing ligo merger rate observations with theory: distribution of star-forming conditions

    SciTech Connect

    Belczynski, Kryzysztof; Kopparapu, R; O' Shaughnessy, R

    2008-01-01

    Within the next decade, ground based gravitational wave detectors are in principle capable of determining the compact object merger rate per unit volume of the local universe to better than 20% with more than 30 detections. Though these measurements can constrain our models of stellar, binary, and cluster evolution in the nearby present-day and ancient universe, we argue that the universe is sufficiently heterogeneous (in age and metallicity distribution at least) and that merger rates predicted by these models can be sufficiently sensitive to those heterogeneities so that a fair comparison of models per unit similar star forming mass necessarily introduces at least an additional 30%--50% systematic error into any constraints on compact binary evolution models. Without adding new electromagnetic constraints on massive binary evolution or relying on more information from each merger (e.g. , binary masses and spins), as few as the {approx_equal}5 merger detections could exhaust the information available in a naive comparison to merger rate predictions. As a concrete example immediately relevant to analysis of initial and enhanced LIGO results, we use a nearby-universe catalog to demonstrate that no one tracer of stellar content can be consistently used to constrain merger rates without introducing a systematic error of order 0(30%) at 90% confidence (depending on the type of binary involved). For example, though binary black holes typically take many Gyr to merge, binary neutron stars often merge rapidly; different tracers of stellar content are required for these two types. More generally, we argue that theoretical binary evolution can depend sufficiently sensitively on star-forming conditions -- even assuming no uncertainty in binary evolution model -- that the distribution of star forming conditions must be incorporated to reduce the systematic error in merger rate predictions below roughly 40%. We emphasize that the degree of sensitivity to star

  20. Cosmology with negative absolute temperatures

    NASA Astrophysics Data System (ADS)

    Vieira, J. P. P.; Byrnes, Christian T.; Lewis, Antony

    2016-08-01

    Negative absolute temperatures (NAT) are an exotic thermodynamical consequence of quantum physics which has been known since the 1950's (having been achieved in the lab on a number of occasions). Recently, the work of Braun et al. [1] has rekindled interest in negative temperatures and hinted at a possibility of using NAT systems in the lab as dark energy analogues. This paper goes one step further, looking into the cosmological consequences of the existence of a NAT component in the Universe. NAT-dominated expanding Universes experience a borderline phantom expansion (w < ‑1) with no Big Rip, and their contracting counterparts are forced to bounce after the energy density becomes sufficiently large. Both scenarios might be used to solve horizon and flatness problems analogously to standard inflation and bouncing cosmologies. We discuss the difficulties in obtaining and ending a NAT-dominated epoch, and possible ways of obtaining density perturbations with an acceptable spectrum.

  1. Apparatus for absolute pressure measurement

    NASA Technical Reports Server (NTRS)

    Hecht, R. (Inventor)

    1969-01-01

    An absolute pressure sensor (e.g., the diaphragm of a capacitance manometer) was subjected to a superimposed potential to effectively reduce the mechanical stiffness of the sensor. This substantially increases the sensitivity of the sensor and is particularly useful in vacuum gauges. An oscillating component of the superimposed potential induced vibrations of the sensor. The phase of these vibrations with respect to that of the oscillating component was monitored, and served to initiate an automatic adjustment of the static component of the superimposed potential, so as to bring the sensor into resonance at the frequency of the oscillating component. This establishes a selected sensitivity for the sensor, since a definite relationship exists between resonant frequency and sensitivity.

  2. Cosmology with negative absolute temperatures

    NASA Astrophysics Data System (ADS)

    Vieira, J. P. P.; Byrnes, Christian T.; Lewis, Antony

    2016-08-01

    Negative absolute temperatures (NAT) are an exotic thermodynamical consequence of quantum physics which has been known since the 1950's (having been achieved in the lab on a number of occasions). Recently, the work of Braun et al. [1] has rekindled interest in negative temperatures and hinted at a possibility of using NAT systems in the lab as dark energy analogues. This paper goes one step further, looking into the cosmological consequences of the existence of a NAT component in the Universe. NAT-dominated expanding Universes experience a borderline phantom expansion (w < -1) with no Big Rip, and their contracting counterparts are forced to bounce after the energy density becomes sufficiently large. Both scenarios might be used to solve horizon and flatness problems analogously to standard inflation and bouncing cosmologies. We discuss the difficulties in obtaining and ending a NAT-dominated epoch, and possible ways of obtaining density perturbations with an acceptable spectrum.

  3. Swarm's Absolute Scalar Magnetometer metrological performances

    NASA Astrophysics Data System (ADS)

    Leger, J.; Fratter, I.; Bertrand, F.; Jager, T.; Morales, S.

    2012-12-01

    The Absolute Scalar Magnetometer (ASM) has been developed for the ESA Earth Observation Swarm mission, planned for launch in November 2012. As its Overhauser magnetometers forerunners flown on Oersted and Champ satellites, it will deliver high resolution scalar measurements for the in-flight calibration of the Vector Field Magnetometer manufactured by the Danish Technical University. Latest results of the ground tests carried out to fully characterize all parameters that may affect its accuracy, both at instrument and satellite level, will be presented. In addition to its baseline function, the ASM can be operated either at a much higher sampling rate (burst mode at 250 Hz) or in a dual mode where it also delivers vector field measurements as a by-product. The calibration procedure and the relevant vector performances will be discussed.

  4. Model compound studies of the beta-O-4 linkage in lignin: absolute rate expressions for beta-scission of phenoxyl radical from 1-phenyl-2-phenoxyethanol-1-yl radical.

    PubMed

    Kandanarachchi, Pramod H; Autrey, Tom; Franz, James A

    2002-11-15

    Arrhenius rate expressions were determined for beta-scission of phenoxyl radical from 1-phenyl-2-phenoxyethanol-1-yl, PhC*(OH)CH2OPh (V). Ketyl radical V was competitively trapped by thiophenol to yield PhCH(OH)CH2OPh in competition with beta-scission to yield phenoxyl radical and acetophenone. A basis rate expression for hydrogen atom abstraction by sec-phenethyl alcohol, PhC*(OH)CH3, from thiophenol, log(k(abs)/M(-1) s(-1)) = (8.88 +/- 0.24) - (6.07 +/- 0.34)/theta, theta = 2.303RT, was determined by competing hydrogen atom abstraction with radical self-termination. Self-termination rates for PhC*(OH)CH3 were calculated using the Smoluchowski equation employing experimental diffusion coefficients of the parent alcohol, PhCH(OH)CH3, as a model for the radical. The hydrogen abstraction basis reaction was employed to determine the activation barrier for the beta-scission of phenoxyl from 1-phenyl-2-phenoxyethanol-1-yl (V): log(k beta)/s(-1)) = (12.85 +/- 0.22) - (15.06 +/- 0.38)/theta, k beta (298 K) ca. (64.0 s(-1) in benzene), and log(k beta /s(-1)) = (12.50 +/- 0.18) - (14.46 +/- 0.30)/theta, k beta (298 K) = 78.7 s(-1) in benzene containing 0.8 M 2-propanol. B3LYP/cc-PVTZ electronic structure calculations predict that intramolecular hydrogen bonding between the alpha-OH and the -OPh leaving group of ketyl radical (V) stabilizes both ground- and transition-state structures. The computed activation barrier, 14.9 kcal/mol, is in good agreement with the experimental activation barrier.

  5. Characterizing shallow secondary clarifier performance where conventional flux theory over-estimates allowable solids loading rate.

    PubMed

    Daigger, Glen T; Siczka, John S; Smith, Thomas F; Frank, David A; McCorquodale, J A

    2016-01-01

    The performance characteristics of relatively shallow (3.3 and 3.7 m sidewater depth in 30.5 m diameter) activated sludge secondary clarifiers were extensively evaluated during a 2-year testing program at the City of Akron Water Reclamation Facility (WRF), Ohio, USA. Testing included hydraulic and solids loading stress tests, and measurement of sludge characteristics (zone settling velocity (ZSV), dispersed and flocculated total suspended solids), and the results were used to calibrate computational fluid dynamic (CFD) models of the various clarifiers tested. The results demonstrated that good performance could be sustained at surface overflow rates in excess of 3 m/h, as long as the clarifier influent mixed liquor suspended solids (MLSS) concentration was controlled to below critical values. The limiting solids loading rate (SLR) was significantly lower than the value predicted by conventional solids flux analysis based on the measured ZSV/MLSS relationship. CFD analysis suggested that this resulted because mixed liquor entering the clarifier was being directed into the settled sludge blanket, diluting it and also creating a 'thin' concentration sludge blanket that overlays the thicker concentration sludge blanket typically expected. These results indicate the need to determine the allowable SLR for shallow clarifiers using approaches other than traditional solids flux analysis. A combination of actual testing and CFD analyses are demonstrated here to be effective in doing so.

  6. Characterizing shallow secondary clarifier performance where conventional flux theory over-estimates allowable solids loading rate.

    PubMed

    Daigger, Glen T; Siczka, John S; Smith, Thomas F; Frank, David A; McCorquodale, J A

    2016-01-01

    The performance characteristics of relatively shallow (3.3 and 3.7 m sidewater depth in 30.5 m diameter) activated sludge secondary clarifiers were extensively evaluated during a 2-year testing program at the City of Akron Water Reclamation Facility (WRF), Ohio, USA. Testing included hydraulic and solids loading stress tests, and measurement of sludge characteristics (zone settling velocity (ZSV), dispersed and flocculated total suspended solids), and the results were used to calibrate computational fluid dynamic (CFD) models of the various clarifiers tested. The results demonstrated that good performance could be sustained at surface overflow rates in excess of 3 m/h, as long as the clarifier influent mixed liquor suspended solids (MLSS) concentration was controlled to below critical values. The limiting solids loading rate (SLR) was significantly lower than the value predicted by conventional solids flux analysis based on the measured ZSV/MLSS relationship. CFD analysis suggested that this resulted because mixed liquor entering the clarifier was being directed into the settled sludge blanket, diluting it and also creating a 'thin' concentration sludge blanket that overlays the thicker concentration sludge blanket typically expected. These results indicate the need to determine the allowable SLR for shallow clarifiers using approaches other than traditional solids flux analysis. A combination of actual testing and CFD analyses are demonstrated here to be effective in doing so. PMID:27438236

  7. Using game theory for perceptual tuned rate control algorithm in video coding

    NASA Astrophysics Data System (ADS)

    Luo, Jiancong; Ahmad, Ishfaq

    2005-03-01

    This paper proposes a game theoretical rate control technique for video compression. Using a cooperative gaming approach, which has been utilized in several branches of natural and social sciences because of its enormous potential for solving constrained optimization problems, we propose a dual-level scheme to optimize the perceptual quality while guaranteeing "fairness" in bit allocation among macroblocks. At the frame level, the algorithm allocates target bits to frames based on their coding complexity. At the macroblock level, the algorithm distributes bits to macroblocks by defining a bargaining game. Macroblocks play cooperatively to compete for shares of resources (bits) to optimize their quantization scales while considering the Human Visual System"s perceptual property. Since the whole frame is an entity perceived by viewers, macroblocks compete cooperatively under a global objective of achieving the best quality with the given bit constraint. The major advantage of the proposed approach is that the cooperative game leads to an optimal and fair bit allocation strategy based on the Nash Bargaining Solution. Another advantage is that it allows multi-objective optimization with multiple decision makers (macroblocks). The simulation results testify the algorithm"s ability to achieve accurate bit rate with good perceptual quality, and to maintain a stable buffer level.

  8. U-Pb age of zircon crystals from the upper banner tonstein (Middle Pennsylvanian), Virginia: Absolute age of the Lower Pennsylvanian-Middle Pennsylvanian boundary and depositional rates for the Middle Pennsylvanian, central appalachian basin

    USGS Publications Warehouse

    Lyons, P.C.; Krogh, T.E.; Kwok, Y.Y.; Zodrow, E.L.

    1997-01-01

    The Upper Banner tonstein, a kaolinized volcanic ash bed that occurs about 90 m above the base of the Middle Pennsylvanian Series in Virginia, is the oldest known Middle Pennsylvanian tonstein in the Appalachian basin. On the basis of palynostratigraphy, the Upper Banner coal bed correlates approximately with the Langsettian-Duckmantian (ex Westphalian A-B) boundary in Europe. Stratigraphically, the Upper Banner tonstein occurs 440-480 m below the Fire Clay tonstein, which in turn is 25-50 m below the marine Magoffin Member of the Breathitt Formation, the approximate correlative of the Agir Marine Band that marks the Dunckmantian-Bolsovian (ex Westphalian C) boundary in Europe. Six single-crystal U-Pb zircon ages were determined for the Upper Banner tonstein. Of these, four overlap concordia within uncertainties and have 206Pb/238U ages that range from 306 to 310??1 Ma. Another analysis falls in the same group but plots slightly to the right of the curve, whereas a single analysis of a low uranium zircon grain gives an age of 316??1 Ma. Variation in ages is outside of analytical uncertainty; hence, variable amounts of recent Pb loss is implied, and the most probable (minimum) depositional age is given by the oldest value at 316??1 Ma - an age consistent with a mean sanidine 40Ar/39Ar plateau age of 311.2??0.7 Ma for the stratigraphically younger Fire Clay tonstein. Thus, the Upper Banner tonstein-Fire Clay tonstein interval is about 5 ?? 1 m.y. This period of time for the Dunckmantian Stage is in good agreement with the Hess and Lippolt (1986) and Hess et al. (1988) chronology for the Duckmantian based on 40Ar/39Ar plateau methods for Westphalian tonsteins. Also, on the basis of this period of time, calculated sedimentation rates (decompacted) od 66-165 m/m.y. were determined for the lower part of the Middle Pennsylvanian Series in the central Appalachian basin. These rates are consistent with the sedimentation rates for shallow-water marine siliciclastic sediments

  9. Rate- and Extent-Limiting Factors of Oral Drug Absorption: Theory and Applications.

    PubMed

    Sugano, Kiyohiko; Terada, Katsuhide

    2015-09-01

    The oral absorption of drugs has been represented by various concepts such as the absorption potential, the maximum absorbable dose, the biopharmaceutics classification system, and in vitro-in vivo correlation. The aim of this article is to provide an overview of the theoretical relationships between these concepts. It shows how a simple analytical solution for the fraction of a dose absorbed (Fa equation) can offer a theoretical base to tie together the various concepts, and discusses how this solution relates to the rate-limiting cases of oral drug absorption. The article introduces the Fa classification system as a framework in which all the above concepts were included, and discusses its applications for food effect prediction, active pharmaceutical ingredient form selection, formulation design, and biowaiver strategy.

  10. Warming reduces metabolic rate in marine snails: adaptation to fluctuating high temperatures challenges the metabolic theory of ecology

    PubMed Central

    Marshall, David J.; McQuaid, Christopher D.

    2011-01-01

    The universal temperature-dependence model (UTD) of the metabolic theory of ecology (MTE) proposes that temperature controls mass-scaled, whole-animal resting metabolic rate according to the first principles of physics (Boltzmann kinetics). Controversy surrounds the model's implication of a mechanistic basis for metabolism that excludes the effects of adaptive regulation, and it is unclear how this would apply to organisms that live in fringe environments and typically show considerable metabolic adaptation. We explored thermal scaling of metabolism in a rocky-shore eulittoral-fringe snail (Echinolittorina malaccana) that experiences constrained energy gain and fluctuating high temperatures (between 25°C and approximately 50°C) during prolonged emersion (weeks). In contrast to the prediction of the UTD model, metabolic rate was often negatively related to temperature over a benign range (30–40°C), the relationship depending on (i) the temperature range, (ii) the degree of metabolic depression (related to the quiescent period), and (iii) whether snails were isolated within their shells. Apparent activation energies (E) varied between 0.05 and −0.43 eV, deviating excessively from the UTD's predicted range of between 0.6 and 0.7 eV. The lowering of metabolism when heated should improve energy conservation in a high-temperature environment and challenges both the theory's generality and its mechanistic basis. PMID:20685714

  11. What Sources Contribute to Variance in Observer Ratings? Using Generalizability Theory to Assess Construct Validity of Psychological Measures

    PubMed Central

    Lakes, Kimberley D.; Hoyt, William T.

    2013-01-01

    We illustrate the utility of generalizability theory (GT) as a conceptual framework that encourages psychological researchers to address this question and as a flexible set of analytic tools that can provide answers to inform both substantive theory and measurement practice. To illustrate these capabilities, we analyze observer ratings of 27 caregiver–child dyads, focusing on the importance of situational (contextual) factors as sources of variance in observer ratings of caregiver–child behaviors. Cross-situational consistency was relatively low for the categories of behavior analyzed, indicating that dyads vary greatly in their interactional patterns from one situation to the next, so that it is difficult to predict behavioral frequencies in one context from behaviors observed in a different context. Our findings suggest that single-situation behavioral measures may have limited generalizability, either to behavior in other contexts or as measures of global interaction tendencies. We discuss the implications of these findings for research and measurement design in developmental psychology. PMID:25009444

  12. Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J.; Lopata, Kenneth

    2016-09-01

    Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

  13. Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.

    PubMed

    Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J; Lopata, Kenneth

    2016-09-01

    Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

  14. Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.

    PubMed

    Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J; Lopata, Kenneth

    2016-09-01

    Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals. PMID:27608987

  15. Absolute photon-flux measurements in the vacuum ultraviolet

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Haddad, G. N.

    1974-01-01

    Absolute photon-flux measurements in the vacuum ultraviolet have extended to short wavelengths by use of rare-gas ionization chambers. The technique involves the measurement of the ion current as a function of the gas pressure in the ion chamber. The true value of the ion current, and hence the absolute photon flux, is obtained by extrapolating the ion current to zero gas pressure. Examples are given at 162 and 266 A. The short-wavelength limit is determined only by the sensitivity of the current-measuring apparatus and by present knowledge of the photoionization processes that occur in the rate gases.

  16. Absolute configuration of isovouacapenol C

    PubMed Central

    Fun, Hoong-Kun; Yodsaoue, Orapun; Karalai, Chatchanok; Chantrapromma, Suchada

    2010-01-01

    The title compound, C27H34O5 {systematic name: (4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihy­droxy-4,4,7,11b-tetra­methyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodeca­hydro­phenanthro[3,2-b]furan-5-yl benzoate}, is a cassane furan­oditerpene, which was isolated from the roots of Caesalpinia pulcherrima. The three cyclo­hexane rings are trans fused: two of these are in chair conformations with the third in a twisted half-chair conformation, whereas the furan ring is almost planar (r.m.s. deviation = 0.003 Å). An intra­molecular C—H⋯O inter­action generates an S(6) ring. The absolute configurations of the stereogenic centres at positions 4a, 5, 6, 6a, 7, 11a and 11b are R, R, R, S, R, S and R, respectively. In the crystal, mol­ecules are linked into infinite chains along [010] by O—H⋯O hydrogen bonds. C⋯O [3.306 (2)–3.347 (2) Å] short contacts and C—H⋯π inter­actions also occur. PMID:21588364

  17. Measuring Postglacial Rebound with GPS and Absolute Gravity

    NASA Technical Reports Server (NTRS)

    Larson, Kristine M.; vanDam, Tonie

    2000-01-01

    We compare vertical rates of deformation derived from continuous Global Positioning System (GPS) observations and episodic measurements of absolute gravity. We concentrate on four sites in a region of North America experiencing postglacial rebound. The rates of uplift from gravity and GPS agree within one standard deviation for all sites. The GPS vertical deformation rates are significantly more precise than the gravity rates, primarily because of the denser temporal spacing provided by continuous GPS tracking. We conclude that continuous GPS observations are more cost efficient and provide more precise estimates of vertical deformation rates than campaign style gravity observations where systematic errors are difficult to quantify.

  18. Dynamical rate theory of enzymatic reactions and triple-resonant coherent anti-Stokes Raman scattering microspectroscopy

    NASA Astrophysics Data System (ADS)

    Min, Wei

    Chapters 2-7 focus on physical enzymology. Despite its long history, recent single-molecule spectroscopy, among many others techniques, has generated new quantitative data that reveal unobserved features of protein dynamics and enzyme catalysis at unprecedented levels. Much of these are beyond the classic framework of transition state theory and Michalis-Menten (MM) enzyme kinetics. Due to the complexity of the problem, theoretical developments in this area have much lagged behind experiments. After an initial experimental characterization on single-molecule protein conformational fluctuations, we then develop a dynamical rate theory for enzyme catalyzed chemical reactions, from a statistical mechanics approach. Towards this goal, we formulate a two-dimensional (2D) multi-surface free energy description of the entire catalytic process that explicitly combines the concept of "fluctuating enzymes" with the MM enzyme kinetics. The outcome of this framework has two folds. On the rate theory side, going much beyond transition state theory, it connects conformational fluctuations to catalysis, allows for the interplay between energetics (e.g. Haldane's stain energy) and dynamics (e.g. Koshland's induced fit), and predicts the time dependence of single-enzyme catalysis. On the enzyme kinetics side, it gives mechanistic and unified understanding of MM and non-MM (both positive and negative cooperativity) kinetics of monomeric enzymes, in term of non-equilibrium steady state cycle on the 2D free energy surface. Chapters 8-11 present the principle and application of a new ultra-sensitive nonlinear optical microspectroscopy, femtosecond (fs) triple-resonant coherent anti-Stokes Raman scattering (CARS), in which the amplitude and phase of input fs laser pulses are optimally shaped to be in triple resonant with the molecular electronic and vibrational transitions to generate a coherent nonlinear signal beam at a new color with a highest possible efficiency. This technique

  19. Rate theory models for ion transport through rigid pores. III. Continuum vs discrete models in single file diffusion.

    PubMed

    Stephan, W; Kleutsch, B; Frehland, E

    1983-11-21

    In studying the single file model in its discrete as well as in its continuum form the relationship between the phenomenological continuum theory of diffusion and the rate theory approach is analyzed. The single file model in its original form is discrete and represents the most general rate theory model for ion transport through rigid pores in biological membranes. In neglecting the interionic interactions which the single file model takes into account, the Nernst-Planck equation of macroscopic free diffusion can be derived from single file by means of the procedure n leads to infinity (where n is the number of binding sites within a pore) and the classical diffusion theory can thereby be integrated into the more general concept of single filing transport. Moreover, the single file model has been transformed in the limit n leads to infinity into the corresponding continuum form involving interionic interactions. The essential differences between the two derived continuum forms are: In the macroscopic diffusion model, the interionic interactions are regarded in the form of a "mean field". Thus we only get one equation of motion (Nernst-Planck equation) for the ionic concentration c(x, t) within the membrane. In the continuum version of the single file model, however, we obtain a hierarchy of Fokker-Planck equations for the probability density functions Pm(x1, . . . , xm, t) (where m is the number of ions within a pore). The interactions of the single file system are incorporated in detail into the Fokker-Planck equation as well as into the corresponding boundary conditions. As a consequence, the boundary conditions are highly complex in comparison with periodic conditions or Dirichlet conditions often used for the Nernst-Planck equation in electrophysiology. Two types of boundary conditions have been found which are principally different: The first one is to regulate the entry and exit of the ions at the pore mouth by a negative feedback mechanism, the second one

  20. Kinetics of the benzyl + O(3P) reaction: a quantum chemical/statistical reaction rate theory study.

    PubMed

    da Silva, Gabriel; Bozzelli, Joseph W

    2012-12-14

    The resonance stabilized benzyl radical is an important intermediate in the combustion of aromatic hydrocarbons and in polycyclic aromatic hydrocarbon (PAH) formation in flames. Despite being a free radical, benzyl is relatively stable in thermal, oxidizing environments, and is predominantly removed through bimolecular reactions with open-shell species other than O(2). In this study the reaction of benzyl with ground-state atomic oxygen, O((3)P), is examined using quantum chemistry and statistical reaction rate theory. C(7)H(7)O energy surfaces are generated at the G3SX level, and include several novel pathways. Transition state theory is used to describe elementary reaction kinetics, with canonical variational transition state theory applied for barrierless O atom association with benzyl. Apparent rate constants and branching ratios to different product sets are obtained as a function of temperature and pressure from solving the time-dependent master equation, with RRKM theory for microcanonical k(E). These simulations indicate that the benzyl + O reaction predominantly forms the phenyl radical (C(6)H(5)) plus formaldehyde (HCHO), with lesser quantities of the C(7)H(6)O products benzaldehyde, ortho-quinone methide, and para-quinone methide (+H), along with minor amounts of the formyl radical (HCO) + benzene. Addition of O((3)P) to the methylene site in benzyl produces a highly vibrationally excited C(7)H(7)O* adduct, the benzoxyl radical, which can β-scission to benzaldehyde + H and phenyl + HCHO. In order to account for the experimental observation of benzene as the major reaction product, a roaming radical mechanism is proposed that converts the nascent products phenyl and HCHO to benzene + HCO. Oxygen atom addition at the ortho and para ring sites in benzyl, which has not been previously considered, is shown to lead to the quinone methides + H; these species are less-stable isomers of benzaldehyde that are proposed as important combustion intermediates, but

  1. Algorithmic complexity theory and the relative efficiency of financial markets

    NASA Astrophysics Data System (ADS)

    Giglio, R.; Matsushita, R.; Figueiredo, A.; Gleria, I.; Da Silva, S.

    2008-11-01

    Financial economists usually assess market efficiency in absolute terms. This is to be viewed as a shortcoming. One way of dealing with the relative efficiency of markets is to resort to the efficiency interpretation provided by algorithmic complexity theory. We employ such an approach in order to rank 36 stock exchanges and 20 US dollar exchange rates in terms of their relative efficiency.

  2. Stochastic theory of large-scale enzyme-reaction networks: finite copy number corrections to rate equation models.

    PubMed

    Thomas, Philipp; Straube, Arthur V; Grima, Ramon

    2010-11-21

    Chemical reactions inside cells occur in compartment volumes in the range of atto- to femtoliters. Physiological concentrations realized in such small volumes imply low copy numbers of interacting molecules with the consequence of considerable fluctuations in the concentrations. In contrast, rate equation models are based on the implicit assumption of infinitely large numbers of interacting molecules, or equivalently, that reactions occur in infinite volumes at constant macroscopic concentrations. In this article we compute the finite-volume corrections (or equivalently the finite copy number corrections) to the solutions of the rate equations for chemical reaction networks composed of arbitrarily large numbers of enzyme-catalyzed reactions which are confined inside a small subcellular compartment. This is achieved by applying a mesoscopic version of the quasisteady-state assumption to the exact Fokker-Planck equation associated with the Poisson representation of the chemical master equation. The procedure yields impressively simple and compact expressions for the finite-volume corrections. We prove that the predictions of the rate equations will always underestimate the actual steady-state substrate concentrations for an enzyme-reaction network confined in a small volume. In particular we show that the finite-volume corrections increase with decreasing subcellular volume, decreasing Michaelis-Menten constants, and increasing enzyme saturation. The magnitude of the corrections depends sensitively on the topology of the network. The predictions of the theory are shown to be in excellent agreement with stochastic simulations for two types of networks typically associated with protein methylation and metabolism.

  3. Stochastic theory of large-scale enzyme-reaction networks: Finite copy number corrections to rate equation models

    NASA Astrophysics Data System (ADS)

    Thomas, Philipp; Straube, Arthur V.; Grima, Ramon

    2010-11-01

    Chemical reactions inside cells occur in compartment volumes in the range of atto- to femtoliters. Physiological concentrations realized in such small volumes imply low copy numbers of interacting molecules with the consequence of considerable fluctuations in the concentrations. In contrast, rate equation models are based on the implicit assumption of infinitely large numbers of interacting molecules, or equivalently, that reactions occur in infinite volumes at constant macroscopic concentrations. In this article we compute the finite-volume corrections (or equivalently the finite copy number corrections) to the solutions of the rate equations for chemical reaction networks composed of arbitrarily large numbers of enzyme-catalyzed reactions which are confined inside a small subcellular compartment. This is achieved by applying a mesoscopic version of the quasisteady-state assumption to the exact Fokker-Planck equation associated with the Poisson representation of the chemical master equation. The procedure yields impressively simple and compact expressions for the finite-volume corrections. We prove that the predictions of the rate equations will always underestimate the actual steady-state substrate concentrations for an enzyme-reaction network confined in a small volume. In particular we show that the finite-volume corrections increase with decreasing subcellular volume, decreasing Michaelis-Menten constants, and increasing enzyme saturation. The magnitude of the corrections depends sensitively on the topology of the network. The predictions of the theory are shown to be in excellent agreement with stochastic simulations for two types of networks typically associated with protein methylation and metabolism.

  4. Reaction Coordinate-Free Approach to Recovering Kinetics from Potential-Scaled Simulations: Application of Kramers' Rate Theory.

    PubMed

    Frank, Aaron T; Andricioaei, Ioan

    2016-08-25

    Enhanced sampling techniques are used to increase the frequency of "rare events" during computer simulations of complex molecules. Although methods exist that allow accurate thermodynamics to be recovered from enhanced simulations, recovering kinetics proves to be more challenging. Here we present an extrapolation approach that allows reliable kinetics to be recovered from potential-scaled MD simulations. The approach, based on Kramers' rate theory, is simple and computationally efficient, and allows kinetics to be recovered without defining reaction coordinates. To test our approach, we use it to determine the kinetics of barrier crossing between two metastable states on the 2D-Müller potential and the C7eq to αR transition in alanine dipeptide. The mean first passage time estimates obtained are in excellent agreement with reference values obtained from direct simulations on the unscaled potentials performed over times that are orders of magnitude longer.

  5. Reaction Coordinate-Free Approach to Recovering Kinetics from Potential-Scaled Simulations: Application of Kramers' Rate Theory.

    PubMed

    Frank, Aaron T; Andricioaei, Ioan

    2016-08-25

    Enhanced sampling techniques are used to increase the frequency of "rare events" during computer simulations of complex molecules. Although methods exist that allow accurate thermodynamics to be recovered from enhanced simulations, recovering kinetics proves to be more challenging. Here we present an extrapolation approach that allows reliable kinetics to be recovered from potential-scaled MD simulations. The approach, based on Kramers' rate theory, is simple and computationally efficient, and allows kinetics to be recovered without defining reaction coordinates. To test our approach, we use it to determine the kinetics of barrier crossing between two metastable states on the 2D-Müller potential and the C7eq to αR transition in alanine dipeptide. The mean first passage time estimates obtained are in excellent agreement with reference values obtained from direct simulations on the unscaled potentials performed over times that are orders of magnitude longer. PMID:27220565

  6. Star Formation in the Gould Belt: Star Formation Rates, Evolutionary Timescales, and Implications for Star Formation Theories

    NASA Astrophysics Data System (ADS)

    Evans, Neal J.

    2014-06-01

    Results from the c2d and Gould Belt Spitzer Legacy and Herschel Key Programs provide the most complete and accurate information on star formation in nearby molecular clouds. Complementary and follow-up studies add crucial information on the nature of star forming gas and the evolution of matter as it moves from core to disk to planets. The star formation rates and gas properties provide tests of star formation laws used by extragalactic researchers and of theories of large scale star formation. The durations in the stages of star formation (envelope infall, exposed star and disk, etc.) have been refined. The data are consistent with models in which accretion onto the forming star is episodic, with possible consequences for the initial conditions in planet-forming disks. The evolution of these disks, including dustsettling, volatile evolution, and gap-clearing, has been clarified.

  7. Absolute Income, Relative Income, and Happiness

    ERIC Educational Resources Information Center

    Ball, Richard; Chernova, Kateryna

    2008-01-01

    This paper uses data from the World Values Survey to investigate how an individual's self-reported happiness is related to (i) the level of her income in absolute terms, and (ii) the level of her income relative to other people in her country. The main findings are that (i) both absolute and relative income are positively and significantly…

  8. Investigating Absolute Value: A Real World Application

    ERIC Educational Resources Information Center

    Kidd, Margaret; Pagni, David

    2009-01-01

    Making connections between various representations is important in mathematics. In this article, the authors discuss the numeric, algebraic, and graphical representations of sums of absolute values of linear functions. The initial explanations are accessible to all students who have experience graphing and who understand that absolute value simply…

  9. Preschoolers' Success at Coding Absolute Size Values.

    ERIC Educational Resources Information Center

    Russell, James

    1980-01-01

    Forty-five 2-year-old and forty-five 3-year-old children coded relative and absolute sizes using 1.5-inch, 6-inch, and 18-inch cardboard squares. Results indicate that absolute coding is possible for children of this age. (Author/RH)

  10. Introducing the Mean Absolute Deviation "Effect" Size

    ERIC Educational Resources Information Center

    Gorard, Stephen

    2015-01-01

    This paper revisits the use of effect sizes in the analysis of experimental and similar results, and reminds readers of the relative advantages of the mean absolute deviation as a measure of variation, as opposed to the more complex standard deviation. The mean absolute deviation is easier to use and understand, and more tolerant of extreme…

  11. Monolithically integrated absolute frequency comb laser system

    DOEpatents

    Wanke, Michael C.

    2016-07-12

    Rather than down-convert optical frequencies, a QCL laser system directly generates a THz frequency comb in a compact monolithically integrated chip that can be locked to an absolute frequency without the need of a frequency-comb synthesizer. The monolithic, absolute frequency comb can provide a THz frequency reference and tool for high-resolution broad band spectroscopy.

  12. Estimating the absolute wealth of households

    PubMed Central

    Gerkey, Drew; Hadley, Craig

    2015-01-01

    Abstract Objective To estimate the absolute wealth of households using data from demographic and health surveys. Methods We developed a new metric, the absolute wealth estimate, based on the rank of each surveyed household according to its material assets and the assumed shape of the distribution of wealth among surveyed households. Using data from 156 demographic and health surveys in 66 countries, we calculated absolute wealth estimates for households. We validated the method by comparing the proportion of households defined as poor using our estimates with published World Bank poverty headcounts. We also compared the accuracy of absolute versus relative wealth estimates for the prediction of anthropometric measures. Findings The median absolute wealth estimates of 1 403 186 households were 2056 international dollars per capita (interquartile range: 723–6103). The proportion of poor households based on absolute wealth estimates were strongly correlated with World Bank estimates of populations living on less than 2.00 United States dollars per capita per day (R2 = 0.84). Absolute wealth estimates were better predictors of anthropometric measures than relative wealth indexes. Conclusion Absolute wealth estimates provide new opportunities for comparative research to assess the effects of economic resources on health and human capital, as well as the long-term health consequences of economic change and inequality. PMID:26170506

  13. Absolute optical metrology : nanometers to kilometers

    NASA Technical Reports Server (NTRS)

    Dubovitsky, Serge; Lay, O. P.; Peters, R. D.; Liebe, C. C.

    2005-01-01

    We provide and overview of the developments in the field of high-accuracy absolute optical metrology with emphasis on space-based applications. Specific work on the Modulation Sideband Technology for Absolute Ranging (MSTAR) sensor is described along with novel applications of the sensor.

  14. Overspecification of color, pattern, and size: salience, absoluteness, and consistency

    PubMed Central

    Tarenskeen, Sammie; Broersma, Mirjam; Geurts, Bart

    2015-01-01

    The rates of overspecification of color, pattern, and size are compared, to investigate how salience and absoluteness contribute to the production of overspecification. Color and pattern are absolute and salient attributes, whereas size is relative and less salient. Additionally, a tendency toward consistent responses is assessed. Using a within-participants design, we find similar rates of color and pattern overspecification, which are both higher than the rate of size overspecification. Using a between-participants design, however, we find similar rates of pattern and size overspecification, which are both lower than the rate of color overspecification. This indicates that although many speakers are more likely to include color than pattern (probably because color is more salient), they may also treat pattern like color due to a tendency toward consistency. We find no increase in size overspecification when the salience of size is increased, suggesting that speakers are more likely to include absolute than relative attributes. However, we do find an increase in size overspecification when mentioning the attributes is triggered, which again shows that speakers tend to refer in a consistent manner, and that there are circumstances in which even size overspecification is frequently produced. PMID:26594190

  15. Tap density equations of granular powders based on the rate process theory and the free volume concept.

    PubMed

    Hao, Tian

    2015-02-28

    The tap density of a granular powder is often linked to the flowability via the Carr index that measures how tight a powder can be packed, under an assumption that more easily packed powders usually flow poorly. Understanding how particles are packed is important for revealing why a powder flows better than others. There are two types of empirical equations that were proposed to fit the experimental data of packing fractions vs. numbers of taps in the literature: the inverse logarithmic and the stretched exponential. Using the rate process theory and the free volume concept under the assumption that particles will obey similar thermodynamic laws during the tapping process if the "granular temperature" is defined in a different way, we obtain the tap density equations, and they are reducible to the two empirical equations currently widely used in literature. Our equations could potentially fit experimental data better with an additional adjustable parameter. The tapping amplitude and frequency, the weight of the granular materials, and the environmental temperature are grouped into this parameter that weighs the pace of the packing process. The current results, in conjunction with our previous findings, may imply that both "dry" (granular) and "wet" (colloidal and polymeric) particle systems are governed by the same physical mechanisms in term of the role of the free volume and how particles behave (a rate controlled process).

  16. Hydrogen Abstraction Reactions from Phenolic Compounds by Peroxyl Radicals: Multireference Character and Density Functional Theory Rate Constants.

    PubMed

    Galano, Annia; Muñoz-Rugeles, Leonardo; Alvarez-Idaboy, Juan Raul; Bao, Junwei Lucas; Truhlar, Donald G

    2016-07-14

    An assessment of multireference character in transition states is considered to be an important component in establishing the expected reliability of various electronic structure methods. In the present work, the multireference characters of the transition states and the forming and breaking of bonds for a large set of hydrogen abstraction reactions from phenolic compounds by peroxyl radicals have been analyzed using the T1, M, B1, and GB1 diagnostics. The extent of multireference character depends on the system and on the conditions under which the reaction takes place, and some systematic trends are observed. In particular, the multireference character is found to be reduced by solvation, the size of the phenolic compound, and deprotonation in aqueous solution. However, the deviations of calculated rate constants from experimental ones are not correlated with the extent of multireference character. The performance of single-determinant density functional theory was investigated for the kinetics of these reactions by comparing calculated rate constants to experimental data; the results from these analyses showed that the M05 functional performs well for the task at hand.

  17. Tap density equations of granular powders based on the rate process theory and the free volume concept.

    PubMed

    Hao, Tian

    2015-02-28

    The tap density of a granular powder is often linked to the flowability via the Carr index that measures how tight a powder can be packed, under an assumption that more easily packed powders usually flow poorly. Understanding how particles are packed is important for revealing why a powder flows better than others. There are two types of empirical equations that were proposed to fit the experimental data of packing fractions vs. numbers of taps in the literature: the inverse logarithmic and the stretched exponential. Using the rate process theory and the free volume concept under the assumption that particles will obey similar thermodynamic laws during the tapping process if the "granular temperature" is defined in a different way, we obtain the tap density equations, and they are reducible to the two empirical equations currently widely used in literature. Our equations could potentially fit experimental data better with an additional adjustable parameter. The tapping amplitude and frequency, the weight of the granular materials, and the environmental temperature are grouped into this parameter that weighs the pace of the packing process. The current results, in conjunction with our previous findings, may imply that both "dry" (granular) and "wet" (colloidal and polymeric) particle systems are governed by the same physical mechanisms in term of the role of the free volume and how particles behave (a rate controlled process). PMID:25589375

  18. Son preference in Indian families: absolute versus relative wealth effects.

    PubMed

    Gaudin, Sylvestre

    2011-02-01

    The desire for male children is prevalent in India, where son preference has been shown to affect fertility behavior and intrahousehold allocation of resources. Economic theory predicts less gender discrimination in wealthier households, but demographers and sociologists have argued that wealth can exacerbate bias in the Indian context. I argue that these apparently conflicting theories can be reconciled and simultaneously tested if one considers that they are based on two different notions of wealth: one related to resource constraints (absolute wealth), and the other to notions of local status (relative wealth). Using cross-sectional data from the 1998-1999 and 2005-2006 National Family and Health Surveys, I construct measures of absolute and relative wealth by using principal components analysis. A series of statistical models of son preference is estimated by using multilevel methods. Results consistently show that higher absolute wealth is strongly associated with lower son preference, and the effect is 20%-40% stronger when the household's community-specific wealth score is included in the regression. Coefficients on relative wealth are positive and significant although lower in magnitude. Results are robust to using different samples, alternative groupings of households in local areas, different estimation methods, and alternative dependent variables.

  19. Students' motivational processes and their relationship to teacher ratings in school physical education: a self-determination theory approach.

    PubMed

    Standage, Martyn; Duda, Joan L; Ntoumanis, Nikos

    2006-03-01

    In the present study, we used a model of motivation grounded in self-determination theory (Deci & Ryan, 1985, 1991; Ryan & Deci, 2000a, 2000b, 2002) to examine the relationship between physical education (PE) students' motivational processes and ratings of their effort and persistence as provided by their PE teacher. Data were obtained from 394 British secondary school students (204 boys, 189 girls, 1 gender not specified; M age = 11.97 years; SD = .89; range = 11-14 years) who responded to a multisection inventory (tapping autonomy-support, autonomy, competence, relatedness, and self-determined motivation). The students' respective PE teachers subsequently provided ratings reflecting the effort and persistence each student exhibited in their PE classes. The hypothesized relationships among the study variables were examined via structural equation modeling analysis using latent factors. Results of maximum likelihood analysis using the bootstrapping method revealed the proposed model demonstrated a good fit to the data, chi-squared (292) = 632.68, p < .001; comparative fit index = .95; incremental fit index = .95, standardized root mean square residual = .077; root mean square error of approximation (RMSEA) = .054 (90% confidence interval of RMSEA = .049 -.060). Specifically, the model showed that students who perceived an autonomy supportive environment experienced greater levels of autonomy, competence, and relatedness and had higher scores on an index of self-determination. Student-reported levels of self-determined motivation positively predicted teacher ratings of effort and persistence in PE. The findings are discussed with regard to enhancing student motivation in PE settings.

  20. Orion Absolute Navigation System Progress and Challenge

    NASA Technical Reports Server (NTRS)

    Holt, Greg N.; D'Souza, Christopher

    2012-01-01

    The absolute navigation design of NASA's Orion vehicle is described. It has undergone several iterations and modifications since its inception, and continues as a work-in-progress. This paper seeks to benchmark the current state of the design and some of the rationale and analysis behind it. There are specific challenges to address when preparing a timely and effective design for the Exploration Flight Test (EFT-1), while still looking ahead and providing software extensibility for future exploration missions. The primary onboard measurements in a Near-Earth or Mid-Earth environment consist of GPS pseudo-range and delta-range, but for future explorations missions the use of star-tracker and optical navigation sources need to be considered. Discussions are presented for state size and composition, processing techniques, and consider states. A presentation is given for the processing technique using the computationally stable and robust UDU formulation with an Agee-Turner Rank-One update. This allows for computational savings when dealing with many parameters which are modeled as slowly varying Gauss-Markov processes. Preliminary analysis shows up to a 50% reduction in computation versus a more traditional formulation. Several state elements are discussed and evaluated, including position, velocity, attitude, clock bias/drift, and GPS measurement biases in addition to bias, scale factor, misalignment, and non-orthogonalities of the accelerometers and gyroscopes. Another consideration is the initialization of the EKF in various scenarios. Scenarios such as single-event upset, ground command, and cold start are discussed as are strategies for whole and partial state updates as well as covariance considerations. Strategies are given for dealing with latent measurements and high-rate propagation using multi-rate architecture. The details of the rate groups and the data ow between the elements is discussed and evaluated.

  1. Absolute Gravity Datum in the Age of Cold Atom Gravimeters

    NASA Astrophysics Data System (ADS)

    Childers, V. A.; Eckl, M. C.

    2014-12-01

    increase in accuracy. Our presentation will also explore the impact of such an instrument on our theory of how to constrain the gravity datum and on how to ensure stability, repeatability, and reproducibility across different absolute gravimeter systems.

  2. Absolute limit on rotation of gravitationally bound stars

    NASA Astrophysics Data System (ADS)

    Glendenning, N. K.

    1994-03-01

    The authors seek an absolute limit on the rotational period for a neutron star as a function of its mass, based on the minimal constraints imposed by Einstein's theory of relativity, Le Chatelier's principle, causality, and a low-density equation of state, uncertainties which can be evaluated as to their effect on the result. This establishes a limiting curve in the mass-period plane below which no pulsar that is a neutron star can lie. For example, the minimum possible Kepler period, which is an absolute limit on rotation below which mass-shedding would occur, is 0.33 ms for a M = 1.442 solar mass neutron star (the mass of PSR1913+16). If the limit were found to be broken by any pulsar, it would signal that the confined hadronic phase of ordinary nucleons and nuclei is only metastable.

  3. Absolute limit on rotation of gravitationally bound stars

    SciTech Connect

    Glendenning, N.K.

    1994-03-01

    The authors seek an absolute limit on the rotational period for a neutron star as a function of its mass, based on the minimal constraints imposed by Einstein`s theory of relativity, Le Chatelier`s principle, causality and a low-density equation of state, uncertainties which can be evaluated as to their effect on the result. This establishes a limiting curve in the mass-period plane below which no pulsar that is a neutron star can lie. For example, the minimum possible Kepler period, which is an absolute limit on rotation below which mass-shedding would occur, is 0.33 ms for a M = 1.442 M{circle_dot} neutron star (the mass of PSR1913+16). If the limit were found to be broken by any pulsar, it would signal that the confined hadronic phase of ordinary nucleons and nuclei is only metastable, an extraordinary conclusion.

  4. Proposal for an absolute, atomic definition of mass

    NASA Astrophysics Data System (ADS)

    Wignall, J. W. G.

    1991-11-01

    It is proposed that the mass of a particle be defined absolutely as its de Broglie frequency, measured as the mean de Broglie wavelength of the particle when it has a mean speed (v) and Lorentz factor (gamma); the masses of systems too large to have a measurable de Broglie wavelength mean are then to be derived by specifying the usual inertial and additive properties of mass. This definition avoids the use of an arbitrary macroscopic standard such as the prototype kilogram, and, if present theory is correct, does not even require the choice of a specific particle as a mass standard. Suggestions are made as to how this absolute mass can be realized and measured at the macroscopic level and, finally, some comments are made on the effect of the new definition on the form of the equations of physics.

  5. Absolute cross section for photoionization of Mn+ in the 3p region

    NASA Astrophysics Data System (ADS)

    Kjeldsen, H.; Folkmann, F.; Kristensen, B.; West, J. B.; Hansen, J. E.

    2004-03-01

    The absolute cross section for photoionization of Mn+ has been measured using the merged-beam technique, focusing on the region of the 'giant' 3p rarr 3d resonance. The main discrepancy between theory and earlier experiments has been removed. However, more extensive relativistic calculations are required for a rigorous comparison with theory.

  6. A macroscale mixture theory analysis of deposition and sublimation rates during heat and mass transfer in dry snow

    NASA Astrophysics Data System (ADS)

    Hansen, A. C.; Foslien, W. E.

    2015-09-01

    The microstructure of a dry alpine snowpack is a dynamic environment where microstructural evolution is driven by seasonal density profiles and weather conditions. Notably, temperature gradients on the order of 10-20 K m-1, or larger, are known to produce a faceted snow microstructure exhibiting little strength. However, while strong temperature gradients are widely accepted as the primary driver for kinetic growth, they do not fully account for the range of experimental observations. An additional factor influencing snow metamorphism is believed to be the rate of mass transfer at the macroscale. We develop a mixture theory capable of predicting macroscale deposition and/or sublimation in a snow cover under temperature gradient conditions. Temperature gradients and mass exchange are tracked over periods ranging from 1 to 10 days. Interesting heat and mass transfer behavior is observed near the ground, near the surface, as well as immediately above and below dense ice crusts. Information about deposition (condensation) and sublimation rates may help explain snow metamorphism phenomena that cannot be accounted for by temperature gradients alone. The macroscale heat and mass transfer analysis requires accurate representations of the effective thermal conductivity and the effective mass diffusion coefficient for snow. We develop analytical models for these parameters based on first principles at the microscale. The expressions derived contain no empirical adjustments, and further, provide self consistent values for effective thermal conductivity and the effective diffusion coefficient for the limiting cases of air and solid ice. The predicted values for these macroscale material parameters are also in excellent agreement with numerical results based on microscale finite element analyses of representative volume elements generated from X-ray tomography.

  7. A macroscale mixture theory analysis of deposition and sublimation rates during heat and mass transfer in snow

    NASA Astrophysics Data System (ADS)

    Hansen, A. C.; Foslien, W. E.

    2015-03-01

    The microstructure of a dry alpine snowpack is a dynamic environment where microstructural evolution is driven by seasonal density profiles and weather conditions. Notably, temperature gradients on the order of 10-20 K m-1, or larger, are known to produce a faceted snow microstructure exhibiting little strength. However, while strong temperature gradients are widely accepted as the primary driver for kinetic growth, they do not fully account for the range of experimental observations. An additional factor influencing snow metamorphism is believed to be the rate of mass transfer at the macroscale. We develop a mixture theory capable of predicting macroscale deposition and/or sublimation in a snow cover under temperature gradient conditions. Temperature gradients and mass exchange are tracked over periods ranging from 1 to 10 days. Interesting heat and mass transfer behavior is observed near the ground, near the surface, as well as immediately above and below dense ice crusts. Information about deposition (condensation) and sublimation rates may help explain snow metamorphism phenomena that cannot be accounted for by temperature gradients alone. The macroscale heat and mass transfer analysis requires accurate representations of the thermal conductivity and the effective mass diffusion coefficient for snow. We develop analytical models for these parameters based on first principles at the microscale. The expressions derived contain no empirical adjustments, and further, provide self consistent values for thermal conductivity and the effective diffusion coefficient for the limiting cases of air and solid ice. The predicted values for these macroscale material parameters are also in excellent agreement with numerical results based on microscale finite element analyses of representative volume elements generated from X-ray tomography.

  8. Preliminary Comparison of Reaction Rate theory and Object Kinetic Monte Carlo Simulations of Defect Cluster Dynamics under Irradiation

    SciTech Connect

    Stoller, Roger E; Golubov, Stanislav I; Becquart, C. S.; Domain, C.

    2006-09-01

    The multiscale modeling scheme encompasses models from the atomistic to the continuum scale. Phenomena at the mesoscale are typically simulated using reaction rate theory (RT), Monte Carlo (MC), or phase field models. These mesoscale models are appropriate for application to problems that involve intermediate length scales ( m to >mm), and timescales from diffusion (~ s) to long-term microstructural evolution (~years). Phenomena at this scale have the most direct impact on mechanical properties in structural materials of interest to nuclear energy systems, and are also the most accessible to direct comparison between the results of simulations and experiments. Recent advances in computational power have substantially expanded the range of application for MC models. Although the RT and MC models can be used simulate the same phenomena, many of the details are handled quite differently in the two approaches. A direct comparison of the RT and MC descriptions has been made in the domain of point defect cluster dynamics modeling, which is relevant to both the nucleation and evolution of radiation-induced defect structures. The relative merits and limitations of the two approaches are discussed, and the predictions of the two approaches are compared for specific irradiation conditions.

  9. Adsorption kinetics at the solid/solution interface: statistical rate theory at initial times of adsorption and close to equilibrium.

    PubMed

    Azizian, Saeid; Bashiri, Hadis

    2008-10-21

    The kinetics of solute adsorption at the solid/solution interface has been studied by statistical rate theory (SRT) at two limiting conditions, one at initial times of adsorption and the other close to equilibrium. A new kinetic equation has been derived for initial times of adsorption on the basis of SRT. For the first time a theoretical interpretation based on SRT has been provided for the modified pseudo-first-order (MPFO) kinetic equation which was proposed empirically by Yang and Al-Duri. It has been shown that the MPFO kinetic equation can be derived from the SRT equation when the system is close to equilibrium. On the basis of numerically generated points ( t, q) by the SRT equation, it has been shown that we can apply the new equation for initial times of adsorption in a larger time range in comparison to the previous q vs radical t linear equation. Also by numerical analysis of the generated kinetic data points, it is shown that application of the MPFO equation for modeling of whole kinetic data causes a large error for the data at initial times of adsorption. The results of numerical analysis are in perfect agreement with our theoretical derivation of the MPFO kinetic equation from the SRT equation. Finally, the results of the present theoretical study were confirmed by analysis of an experimental system. PMID:18788819

  10. Absolute magnitudes of trans-neptunian objects

    NASA Astrophysics Data System (ADS)

    Duffard, R.; Alvarez-candal, A.; Pinilla-Alonso, N.; Ortiz, J. L.; Morales, N.; Santos-Sanz, P.; Thirouin, A.

    2015-10-01

    Accurate measurements of diameters of trans- Neptunian objects are extremely complicated to obtain. Radiomatric techniques applied to thermal measurements can provide good results, but precise absolute magnitudes are needed to constrain diameters and albedos. Our objective is to measure accurate absolute magnitudes for a sample of trans- Neptunian objects, many of which have been observed, and modelled, by the "TNOs are cool" team, one of Herschel Space Observatory key projects grantes with ~ 400 hours of observing time. We observed 56 objects in filters V and R, if possible. These data, along with data available in the literature, was used to obtain phase curves and to measure absolute magnitudes by assuming a linear trend of the phase curves and considering magnitude variability due to rotational light-curve. In total we obtained 234 new magnitudes for the 56 objects, 6 of them with no reported previous measurements. Including the data from the literature we report a total of 109 absolute magnitudes.

  11. A New Gimmick for Assigning Absolute Configuration.

    ERIC Educational Resources Information Center

    Ayorinde, F. O.

    1983-01-01

    A five-step procedure is provided to help students in making the assignment absolute configuration less bothersome. Examples for both single (2-butanol) and multi-chiral carbon (3-chloro-2-butanol) molecules are included. (JN)

  12. The Simplicity Argument and Absolute Morality

    ERIC Educational Resources Information Center

    Mijuskovic, Ben

    1975-01-01

    In this paper the author has maintained that there is a similarity of thought to be found in the writings of Cudworth, Emerson, and Husserl in his investigation of an absolute system of morality. (Author/RK)

  13. A generalized theory for determining the field-enhanced thermal emission rate by the reverse pulsed deep-level transient spectroscopy

    NASA Astrophysics Data System (ADS)

    Choi, Ghung G.; Li, Sheng S.

    1986-07-01

    A generalized theory for determining the field-enhanced thermal emission rates and carrier capture cross section of deep-level defects at very high field and for large trap density by the reverse pulsed deep-level transient spectroscopy technique has been developed in this paper. Using this new theory the field-enhanced emission rates for the DX center in a liquid-phase-epitaxial grown Sn-doped Al0.2Ga0.8As were determined for field strength up to 7×105 V/cm.

  14. A novel approach to gravitation from fluid theory: Titius-Bode structures, flat rotation rate of galaxies and other predictions

    NASA Astrophysics Data System (ADS)

    Munera, Hector A.

    2015-08-01

    The formal analogy between electromagnetism (EM) and gravitation was noted by Maxwell and Faraday, and later on by Heaviside in the 1890s; the analogy was extensively used in the gravito-magnetism of the 20th century. The connection between EM and fluid theory is explicit in Maxwell’s work, and the equivalence of Maxwell equations (ME) to various wave equations is explained in electrodynamics textbooks (say, Jackson’s) additionally, a little-known paper presented by Henri Malet to the Paris Academy of Sciences (1926), demonstrated that the validity of ME concurrently requires the validity of the vector and the scalar homogeneous wave equations.In the 1990s the present author reported in Foundations of Physics Letters the existence of novel solutions for the homogeneous wave equation in spherical coordinates; it turns out that one class of our solutions (the nonharmonic functions of the first-kind, NHFFK) is equivalent to the unified force of nature proposed around 1760 by Boscovich from philosophical considerations, but without a formal mathematical basis. Our finding is significant because it lends a mathematical foundation to Boscovich’s force, which has extremely interesting properties, as quantization in energy and distance —noted by J. J. Thomson before Bohr’s quantum theory.Associated with spherical surfaces in gravitational equilibrium, the family of even NHFFKs described here predict Titius-Body structures at different scales, as the solar system and the moons of Mars, Jupiter, Uranus, Saturn, and Neptune. Each calculated radius is compared to an average distance of moons/planets: the correlation and the R2 coefficients are quite high. The same NHFFK also predict the existence of ring structures, as those observed in Saturn, and in asteroids belts in our solar system. Newtonian gravity appears as the limit at very large distances from the center of force. The family of odd NHFFK exhibits a non-zero limit as distance tends to infinity, feature that

  15. Vibrational Circular Dichroism Absolute Configuration of 9,12-Cyclomulin-13-ol, a Diterpene from Azorella and Laretia Species.

    PubMed

    Muñoz, Marcelo A; San-Martín, Aurelio; Joseph-Nathan, Pedro

    2015-08-01

    The absolute configuration of the diterpenoid 9,12-cyclomulin-13-ol (1), a constituent of Azorella and Laretia species, has been established by vibrational circular dichroism spectroscopy in combination with density functional theory calculations. The obtained normal diterpene absolute configuration confirms that of azorellanol (2), which was determined by single crystal X-ray diffraction.

  16. The prognostic value of heart rate variability in the elderly, changing the perspective: from sympathovagal balance to chaos theory.

    PubMed

    Nicolini, Paola; Ciulla, Michele M; De Asmundis, Carlo; Magrini, Fabio; Brugada, Pedro

    2012-05-01

    Heart rate variability (HRV) is the temporal beat-to-beat variation in successive RR intervals on an electrocardiographic (ECG) recording and it reflects the regulation of the heart rate (HR) by the autonomic nervous system (ANS). HRV analysis is a noninvasive tool for the assessment of autonomic function that gained momentum in the late 1980s when its clinical relevance as a predictor of mortality was established by a milestone study by Kleiger et al. in patients with postacute myocardial infarction. In the last few decades, the increasing availability of commercial ECG devices offering HRV analysis has made HRV a favorite marker for risk stratification in the setting of cardiovascular disease. The rapid aging of the world population and the growing popularity of HRV have also fueled interest for the prognostic value of HRV in the elderly, outside a specific cardiological context. However, the discussion of HRV measures in the elderly is still very much centered on the rather reductionistic model of sympathovagal balance, with the orthosympathetic and parasympathetic limbs of the ANS exercising opposing effects on the heart via autonomic tone. The expanding application of nonlinear dynamics to medicine has brought to the forefront the notion of system complexity, embedded in the mathematical concepts of chaos theory and fractals, and provides an opportunity to suggest a broader interpretation for the prognostic significance of HRV, especially in the elderly. Although the use of novel indices of HRV may be hampered by practical issues, a more holistic approach to HRV may still be safeguarded if traditional time- and frequency-domain measures are viewed in terms of autonomic modulation. This review focuses on HRV in geriatric populations. It considers studies on the prognostic value of HRV in elderly subjects, discussing the potential confounding effect of erratic rhythm, and concentrates on the conceptual distinction between autonomic tone and autonomic modulation

  17. Absolute determination of local tropospheric OH concentrations

    NASA Technical Reports Server (NTRS)

    Armerding, Wolfgang; Comes, Franz-Josef

    1994-01-01

    Long path absorption (LPA) according to Lambert Beer's law is a method to determine absolute concentrations of trace gases such as tropospheric OH. We have developed a LPA instrument which is based on a rapid tuning of the light source which is a frequency doubled dye laser. The laser is tuned across two or three OH absorption features around 308 nm with a scanning speed of 0.07 cm(exp -1)/microsecond and a repetition rate of 1.3 kHz. This high scanning speed greatly reduces the fluctuation of the light intensity caused by the atmosphere. To obtain the required high sensitivity the laser output power is additionally made constant and stabilized by an electro-optical modulator. The present sensitivity is of the order of a few times 10(exp 5) OH per cm(exp 3) for an acquisition time of a minute and an absorption path length of only 1200 meters so that a folding of the optical path in a multireflection cell was possible leading to a lateral dimension of the cell of a few meters. This allows local measurements to be made. Tropospheric measurements have been carried out in 1991 resulting in the determination of OH diurnal variation at specific days in late summer. Comparison with model calculations have been made. Interferences are mainly due to SO2 absorption. The problem of OH self generation in the multireflection cell is of minor extent. This could be shown by using different experimental methods. The minimum-maximum signal to noise ratio is about 8 x 10(exp -4) for a single scan. Due to the small size of the absorption cell the realization of an open air laboratory is possible in which by use of an additional UV light source or by additional fluxes of trace gases the chemistry can be changed under controlled conditions allowing kinetic studies of tropospheric photochemistry to be made in open air.

  18. Jasminum flexile flower absolute from India--a detailed comparison with three other jasmine absolutes.

    PubMed

    Braun, Norbert A; Kohlenberg, Birgit; Sim, Sherina; Meier, Manfred; Hammerschmidt, Franz-Josef

    2009-09-01

    Jasminum flexile flower absolute from the south of India and the corresponding vacuum headspace (VHS) sample of the absolute were analyzed using GC and GC-MS. Three other commercially available Indian jasmine absolutes from the species: J. sambac, J. officinale subsp. grandiflorum, and J. auriculatum and the respective VHS samples were used for comparison purposes. One hundred and twenty-one compounds were characterized in J. flexile flower absolute, with methyl linolate, benzyl salicylate, benzyl benzoate, (2E,6E)-farnesol, and benzyl acetate as the main constituents. A detailed olfactory evaluation was also performed.

  19. The Efficiency of Behavior Rating Scales to Assess Inattentive-Overactive and Oppositional-Defiant Behavior: Applying Generalizability Theory to Streamline Assessment

    PubMed Central

    Volpe, Robert J.; Briesch, Amy M.; Gadow, Kenneth D.

    2010-01-01

    Although the efficiency with which a wide range of behavioral data can be obtained makes behavior rating scales particularly attractive tools for the purposes of screening and evaluation, feasibility concerns arise in the context of formative assessment. Specifically, informant load, or the amount of time informants are asked to contribute to the assessment process, likely has a negative impact on the quality of data over time and the informant's willingness to participate. Two important determinants of informant load in progress monitoring are the length of the rating scale (i.e., the number of items) and how frequently informants are asked to provide ratings (i.e., the number of occasions). The purpose of the current study was to investigate the dependability of the IOWA Conners Teacher Rating Scale (Loney & Milich, 1982), which is used to differentiate inattentive-overactive from oppositional-defiant behaviors. Specifically, the facets of items and occasions were examined to identify combinations of these sources of error necessary to reach an acceptable level of dependability for both absolute and relative decisions. Results from D studies elucidated a variety of possible item–occasion combinations reaching the criteria for adequate dependability. Recommendations for research and practice are discussed. PMID:21215839

  20. Enumeration of absolute cell counts using immunophenotypic techniques.

    PubMed

    Mandy, F; Brando, B

    2001-05-01

    Absolute counting of cells or cell subsets has a number of significant clinical applications: monitoring the disease status of HIV-infected patients, enumerating residual white blood cells in leukoreduced blood products, and assessing immunodeficiency in a variety of situations. The single-platform method (flow cytometry alone) has emerged as the method of choice for absolute cell enumeration. This technology counts only the cells of interest in a precisely determined blood volume. Exact cell identification is accomplished by a logical electronic gating algorithm capable of identifying lineage-specific immunofluorescent markers. Exclusion of unwanted cells is automatic. This extensive and detailed unit presents protocols for both volumetric and flow-rate determination of residual white blood cells and of leukocyte subsets. PMID:18770719

  1. Absolute Humidity and the Seasonal Onset of Influenza in the Continental United States

    PubMed Central

    Shaman, Jeffrey; Pitzer, Virginia E.; Viboud, Cécile; Grenfell, Bryan T.; Lipsitch, Marc

    2010-01-01

    Much of the observed wintertime increase of mortality in temperate regions is attributed to seasonal influenza. A recent reanalysis of laboratory experiments indicates that absolute humidity strongly modulates the airborne survival and transmission of the influenza virus. Here, we extend these findings to the human population level, showing that the onset of increased wintertime influenza-related mortality in the United States is associated with anomalously low absolute humidity levels during the prior weeks. We then use an epidemiological model, in which observed absolute humidity conditions temper influenza transmission rates, to successfully simulate the seasonal cycle of observed influenza-related mortality. The model results indicate that direct modulation of influenza transmissibility by absolute humidity alone is sufficient to produce this observed seasonality. These findings provide epidemiological support for the hypothesis that absolute humidity drives seasonal variations of influenza transmission in temperate regions. PMID:20186267

  2. Asteroid rotation. I - Tabulation and analysis of rates, pole positions and shapes. II - A theory for the collisional evolution of rotation rates

    NASA Technical Reports Server (NTRS)

    Harris, A. W.; Burns, J. A.

    1979-01-01

    Rotation properties and shape data for 182 asteroids are compiled and analyzed, and a collisional model for the evolution of the mean rotation rate of asteroids is proposed. Tabulations of asteroid rotation rates, taxonomic types, pole positions, sizes and shapes and plots of rotation frequency and light curve amplitude against size indicate that asteroid rotational frequency increases with decreasing size for all asteroids except those of the C or S classes. Light curve data also indicate that small asteroids are more irregular in shape than large asteroids. The dispersion in rotation rates observed is well represented by a three dimensional Maxwellian distribution, suggestive of collisional encounters between asteroids. In the proposed model, the rotation rate is found to tend toward an equilibrium value, at which spin-up due to infrequent, large collisions is balanced by a drag due to the larger number of small collisions. The lower mean rotation rate of C-type asteroids is attributed to a lower means density of that class, and the increase in rotation rate with decreasing size is interpreted as indicative of a substantial population of strong asteroids.

  3. Absolute calibration in vivo measurement systems

    SciTech Connect

    Kruchten, D.A.; Hickman, D.P.

    1991-02-01

    Lawrence Livermore National Laboratory (LLNL) is currently investigating a new method for obtaining absolute calibration factors for radiation measurement systems used to measure internally deposited radionuclides in vivo. Absolute calibration of in vivo measurement systems will eliminate the need to generate a series of human surrogate structures (i.e., phantoms) for calibrating in vivo measurement systems. The absolute calibration of in vivo measurement systems utilizes magnetic resonance imaging (MRI) to define physiological structure, size, and composition. The MRI image provides a digitized representation of the physiological structure, which allows for any mathematical distribution of radionuclides within the body. Using Monte Carlo transport codes, the emission spectrum from the body is predicted. The in vivo measurement equipment is calibrated using the Monte Carlo code and adjusting for the intrinsic properties of the detection system. The calibration factors are verified using measurements of existing phantoms and previously obtained measurements of human volunteers. 8 refs.

  4. Absolute photoacoustic thermometry in deep tissue.

    PubMed

    Yao, Junjie; Ke, Haixin; Tai, Stephen; Zhou, Yong; Wang, Lihong V

    2013-12-15

    Photoacoustic thermography is a promising tool for temperature measurement in deep tissue. Here we propose an absolute temperature measurement method based on the dual temperature dependences of the Grüneisen parameter and the speed of sound in tissue. By taking ratiometric measurements at two adjacent temperatures, we can eliminate the factors that are temperature irrelevant but difficult to correct for in deep tissue. To validate our method, absolute temperatures of blood-filled tubes embedded ~9 mm deep in chicken tissue were measured in a biologically relevant range from 28°C to 46°C. The temperature measurement accuracy was ~0.6°C. The results suggest that our method can be potentially used for absolute temperature monitoring in deep tissue during thermotherapy.

  5. Molecular iodine absolute frequencies. Final report

    SciTech Connect

    Sansonetti, C.J.

    1990-06-25

    Fifty specified lines of {sup 127}I{sub 2} were studied by Doppler-free frequency modulation spectroscopy. For each line the classification of the molecular transition was determined, hyperfine components were identified, and one well-resolved component was selected for precise determination of its absolute frequency. In 3 cases, a nearby alternate line was selected for measurement because no well-resolved component was found for the specified line. Absolute frequency determinations were made with an estimated uncertainty of 1.1 MHz by locking a dye laser to the selected hyperfine component and measuring its wave number with a high-precision Fabry-Perot wavemeter. For each line results of the absolute measurement, the line classification, and a Doppler-free spectrum are given.

  6. Absolute Stability And Hyperstability In Hilbert Space

    NASA Technical Reports Server (NTRS)

    Wen, John Ting-Yung

    1989-01-01

    Theorems on stabilities of feedback control systems proved. Paper presents recent developments regarding theorems of absolute stability and hyperstability of feedforward-and-feedback control system. Theorems applied in analysis of nonlinear, adaptive, and robust control. Extended to provide sufficient conditions for stability in system including nonlinear feedback subsystem and linear time-invariant (LTI) feedforward subsystem, state space of which is Hilbert space, and input and output spaces having finite numbers of dimensions. (In case of absolute stability, feedback subsystem memoryless and possibly time varying. For hyperstability, feedback system dynamical system.)

  7. Absolute doubly differential bremsstrahlung cross sections from rare gas atoms

    NASA Astrophysics Data System (ADS)

    Portillo, Salvador

    The absolute doubly differential bremsstrahlung cross section has been measured for 28 and 50 keV electrons incident on the rare gases Xe, Kr, Ar and Ne. The cross sections are differential with respect to energy and photon emission. A SiLi solid state detector measured data at 90° with respect to the beam line. A thorough analysis of the experimental systematic error yielded a high degree of confidence in the experimental data. The absolute bremsstrahlung doubly differential cross sections provided for a rigorous test of the normal bremsstrahlung theory, tabulated by Kissel, Quarles and Pratt1 (KQP) and of the SA theory2 that includes the contribution from polarization bremsstrahlung. To test the theories a comparison of the overall magnitude of the cross section as well as comparison of the photon energy dependence was carried out. The KQP theoretical values underestimated the magnitude of the cross section for all targets and for both energies. The SA values were in excellent agreement with the 28 keV data. For the 50keV data the fit was also very good. However, there were energy regions where there was a small discrepancy between the theory and the data. This suggests that the Polarization Bremsstrahlung (PB) mechanism does contribute to the overall spectrum and is detectable in this parameter space. 1Kissel, L., Quarles, C. A., Pratt, R. H., Atom. Data Nucl. Data Tables 28, 381 (1983). 2Avdonina N. B., Pratt, R. H., J. Phys. B: At. Mol. Opt. Phys. 32 4261 (1999).

  8. Absolute Points for Multiple Assignment Problems

    ERIC Educational Resources Information Center

    Adlakha, V.; Kowalski, K.

    2006-01-01

    An algorithm is presented to solve multiple assignment problems in which a cost is incurred only when an assignment is made at a given cell. The proposed method recursively searches for single/group absolute points to identify cells that must be loaded in any optimal solution. Unlike other methods, the first solution is the optimal solution. The…

  9. Absolute partial photoionization cross sections of ozone.

    SciTech Connect

    Berkowitz, J.; Chemistry

    2008-04-01

    Despite the current concerns about ozone, absolute partial photoionization cross sections for this molecule in the vacuum ultraviolet (valence) region have been unavailable. By eclectic re-evaluation of old/new data and plausible assumptions, such cross sections have been assembled to fill this void.

  10. Stimulus Probability Effects in Absolute Identification

    ERIC Educational Resources Information Center

    Kent, Christopher; Lamberts, Koen

    2016-01-01

    This study investigated the effect of stimulus presentation probability on accuracy and response times in an absolute identification task. Three schedules of presentation were used to investigate the interaction between presentation probability and stimulus position within the set. Data from individual participants indicated strong effects of…

  11. Teaching Absolute Value Inequalities to Mature Students

    ERIC Educational Resources Information Center

    Sierpinska, Anna; Bobos, Georgeana; Pruncut, Andreea

    2011-01-01

    This paper gives an account of a teaching experiment on absolute value inequalities, whose aim was to identify characteristics of an approach that would realize the potential of the topic to develop theoretical thinking in students enrolled in prerequisite mathematics courses at a large, urban North American university. The potential is…

  12. Solving Absolute Value Equations Algebraically and Geometrically

    ERIC Educational Resources Information Center

    Shiyuan, Wei

    2005-01-01

    The way in which students can improve their comprehension by understanding the geometrical meaning of algebraic equations or solving algebraic equation geometrically is described. Students can experiment with the conditions of the absolute value equation presented, for an interesting way to form an overall understanding of the concept.

  13. Increasing Capacity: Practice Effects in Absolute Identification

    ERIC Educational Resources Information Center

    Dodds, Pennie; Donkin, Christopher; Brown, Scott D.; Heathcote, Andrew

    2011-01-01

    In most of the long history of the study of absolute identification--since Miller's (1956) seminal article--a severe limit on performance has been observed, and this limit has resisted improvement even by extensive practice. In a startling result, Rouder, Morey, Cowan, and Pfaltz (2004) found substantially improved performance with practice in the…

  14. Absolute Radiometric Calibration Of The Thematic Mapper

    NASA Astrophysics Data System (ADS)

    Slater, P. N.; Biggar, S. F.; Holm, R. G.; Jackson, R. D.; Mao, Y.; Moran, M. S.; Palmer, J. M.; Yuan, B.

    1986-11-01

    The results are presented of five in-flight absolute radiometric calibrations, made in the period July 1984 to November 1985, at White Sands, New Mexico, of the solar reflective bands of the Landsat-5 Thematic Mapper (TM) . The 23 bandcalibrations made on the five dates show a ± 2.8% RMS variation from the mean as a percentage of the mean.

  15. On Relative and Absolute Conviction in Mathematics

    ERIC Educational Resources Information Center

    Weber, Keith; Mejia-Ramos, Juan Pablo

    2015-01-01

    Conviction is a central construct in mathematics education research on justification and proof. In this paper, we claim that it is important to distinguish between absolute conviction and relative conviction. We argue that researchers in mathematics education frequently have not done so and this has lead to researchers making unwarranted claims…

  16. First-principles calculation of photo-induced electron transfer rate constants in phthalocyanine-C60 organic photovoltaic materials: Beyond Marcus theory

    NASA Astrophysics Data System (ADS)

    Lee, Myeong H.; Dunietz, Barry D.; Geva, Eitan

    2014-03-01

    Classical Marcus theory is commonly adopted in solvent-mediated charge transfer (CT) process to obtain the CT rate constant, but it can become questionable when the intramolecular vibrational modes dominate the CT process as in OPV devices because Marcus theory treats these modes classically and therefore nuclear tunneling is not accounted for. We present a computational scheme to obtain the electron transfer rate constant beyond classical Marcus theory. Within this approach, the nuclear vibrational modes are treated quantum-mechanically and a short-time approximation is avoided. Ab initio calculations are used to obtain the basic parameters needed for calculating the electron transfer rate constant. We apply our methodology to phthalocyanine(H2PC)-C60 organic photovoltaic system where one C60 acceptor and one or two H2PC donors are included to model the donor-acceptor interface configuration. We obtain the electron transfer and recombination rate constants for all accessible charge transfer (CT) states, from which the CT exciton dynamics is determined by employing a master equation. The role of higher lying excited states in CT exciton dynamics is discussed. This work is pursued as part of the Center for Solar and Thermal Energy Conversion, an Energy Frontier Research Center funded by the US Department of Energy Office of Science, Office of Basic Energy Sciences under 390 Award No. DE-SC0000957.

  17. Combined Use of Absolute and Differential Seismic Arrival Time Data to Improve Absolute Event Location

    NASA Astrophysics Data System (ADS)

    Myers, S.; Johannesson, G.

    2012-12-01

    Arrival time measurements based on waveform cross correlation are becoming more common as advanced signal processing methods are applied to seismic data archives and real-time data streams. Waveform correlation can precisely measure the time difference between the arrival of two phases, and differential time data can be used to constrain relative location of events. Absolute locations are needed for many applications, which generally requires the use of absolute time data. Current methods for measuring absolute time data are approximately two orders of magnitude less precise than differential time measurements. To exploit the strengths of both absolute and differential time data, we extend our multiple-event location method Bayesloc, which previously used absolute time data only, to include the use of differential time measurements that are based on waveform cross correlation. Fundamentally, Bayesloc is a formulation of the joint probability over all parameters comprising the multiple event location system. The Markov-Chain Monte Carlo method is used to sample from the joint probability distribution given arrival data sets. The differential time component of Bayesloc includes scaling a stochastic estimate of differential time measurement precision based the waveform correlation coefficient for each datum. For a regional-distance synthetic data set with absolute and differential time measurement error of 0.25 seconds and 0.01 second, respectively, epicenter location accuracy is improved from and average of 1.05 km when solely absolute time data are used to 0.28 km when absolute and differential time data are used jointly (73% improvement). The improvement in absolute location accuracy is the result of conditionally limiting absolute location probability regions based on the precise relative position with respect to neighboring events. Bayesloc estimates of data precision are found to be accurate for the synthetic test, with absolute and differential time measurement

  18. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2007-07-03

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  19. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2008-10-21

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  20. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2007-07-17

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  1. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2007-10-02

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  2. Method of differential-phase/absolute-amplitude QAM

    DOEpatents

    Dimsdle, Jeffrey William

    2009-09-01

    A method of quadrature amplitude modulation involving encoding phase differentially and amplitude absolutely, allowing for a high data rate and spectral efficiency in data transmission and other communication applications, and allowing for amplitude scaling to facilitate data recovery; amplitude scale tracking to track-out rapid and severe scale variations and facilitate successful demodulation and data retrieval; 2.sup.N power carrier recovery; incoherent demodulation where coherent carrier recovery is not possible or practical due to signal degradation; coherent demodulation; multipath equalization to equalize frequency dependent multipath; and demodulation filtering.

  3. A high sensitivity fiber optic macro-bend based gas flow rate transducer for low flow rates: Theory, working principle, and static calibration

    SciTech Connect

    Schena, Emiliano; Saccomandi, Paola; Silvestri, Sergio

    2013-02-15

    A novel fiber optic macro-bend based gas flowmeter for low flow rates is presented. Theoretical analysis of the sensor working principle, design, and static calibration were performed. The measuring system consists of: an optical fiber, a light emitting diode (LED), a Quadrant position sensitive Detector (QD), and an analog electronic circuit for signal processing. The fiber tip undergoes a deflection in the flow, acting like a cantilever. The consequent displacement of light spot center is monitored by the QD generating four unbalanced photocurrents which are function of fiber tip position. The analog electronic circuit processes the photocurrents providing voltage signal proportional to light spot position. A circular target was placed on the fiber in order to increase the sensing surface. Sensor, tested in the measurement range up to 10 l min{sup -1}, shows a discrimination threshold of 2 l min{sup -1}, extremely low fluid dynamic resistance (0.17 Pa min l{sup -1}), and high sensitivity, also at low flow rates (i.e., 33 mV min l{sup -1} up to 4 l min{sup -1} and 98 mV min l{sup -1} from 4 l min{sup -1} up to 10 l min{sup -1}). Experimental results agree with the theoretical predictions. The high sensitivity, along with the reduced dimension and negligible pressure drop, makes the proposed transducer suitable for medical applications in neonatal ventilation.

  4. A high sensitivity fiber optic macro-bend based gas flow rate transducer for low flow rates: Theory, working principle, and static calibration

    NASA Astrophysics Data System (ADS)

    Schena, Emiliano; Saccomandi, Paola; Silvestri, Sergio

    2013-02-01

    A novel fiber optic macro-bend based gas flowmeter for low flow rates is presented. Theoretical analysis of the sensor working principle, design, and static calibration were performed. The measuring system consists of: an optical fiber, a light emitting diode (LED), a Quadrant position sensitive Detector (QD), and an analog electronic circuit for signal processing. The fiber tip undergoes a deflection in the flow, acting like a cantilever. The consequent displacement of light spot center is monitored by the QD generating four unbalanced photocurrents which are function of fiber tip position. The analog electronic circuit processes the photocurrents providing voltage signal proportional to light spot position. A circular target was placed on the fiber in order to increase the sensing surface. Sensor, tested in the measurement range up to 10 l min-1, shows a discrimination threshold of 2 l min-1, extremely low fluid dynamic resistance (0.17 Pa min l-1), and high sensitivity, also at low flow rates (i.e., 33 mV min l-1 up to 4 l min-1 and 98 mV min l-1 from 4 l min-1 up to 10 l min-1). Experimental results agree with the theoretical predictions. The high sensitivity, along with the reduced dimension and negligible pressure drop, makes the proposed transducer suitable for medical applications in neonatal ventilation.

  5. On a novel rate theory for transport in narrow ion channels and its application to the study of flux optimization via geometric effects

    NASA Astrophysics Data System (ADS)

    Abad, E.; Reingruber, J.; Sansom, M. S. P.

    2009-02-01

    We present a novel rate theory based on the notions of splitting probability and mean first passage time to describe single-ion conduction in narrow, effectively one-dimensional membrane channels. In contrast to traditional approaches such as transition state theory or Kramers theory, transitions between different conduction states in our model are governed by rates which depend on the full geometry of the potential of mean force (PMF) resulting from the superposition of an equilibrium free energy profile and a transmembrane potential induced by a nonequilibrium constraint. If a detailed theoretical PMF is available (e.g., from atomistic molecular dynamics simulations), it can be used to compute characteristic conductance curves in the framework of our model, thereby bridging the gap between the atomistic and the mesoscopic level of description. Explicit analytic solutions for the rates, the ion flux, and the associated electric current can be obtained by approximating the actual PMF by a piecewise linear potential. As illustrative examples, we consider both a theoretical and an experimental application of the model. The theoretical example is based on a hypothetical channel with a fully symmetric sawtooth equilibrium PMF. For this system, we explore how changes in the spatial extent of the binding sites affect the rate of transport when a linear voltage ramp is applied. Already for the case of a single binding site, we find that there is an optimum size of the site which maximizes the current through the channel provided that the applied voltage exceeds a threshold value given by the binding energy of the site. The above optimization effect is shown to arise from the complex interplay between the channel structure and the applied electric field, expressed by a nonlinear dependence of the rates with respect to the linear size of the binding site. In studying the properties of current-voltage curves, we find a double crossover between sublinear and superlinear

  6. If Not Absolute Objectivity, Then What? A Reply to Kauffman and Sasso

    ERIC Educational Resources Information Center

    Gallagher, Deborah J.

    2006-01-01

    Because researchers cannot achieve theory-free observation, it is therefore impossible to attain absolute objectivity. This realization has led to issues of major consequence concerning our understanding of educational research and of ourselves as educational researchers. Specifically, serious questions have been raised about the nature of…

  7. If the Shoe Fits: Virtue and Absolute Beauty in Fairy Tale Drama.

    ERIC Educational Resources Information Center

    Thompson, Melissa C.

    2000-01-01

    Examines five versions of the Cinderella story. Argues that children's fairy tale drama presents female beauty as a moral absolute, not merely as a physical characteristic. Cites feminist theories of the female body to demonstrate ways in which fairy tale drama establishes female beauty as an unchanging, "universal" concept. Considers the…

  8. Computing decay rates for new physics theories with FEYNRULES  and MADGRAPH 5_AMC@NLO

    NASA Astrophysics Data System (ADS)

    Alwall, Johan; Duhr, Claude; Fuks, Benjamin; Mattelaer, Olivier; Öztürk, Deniz Gizem; Shen, Chia-Hsien

    2015-12-01

    We present new features of the FEYNRULES  and MADGRAPH 5_AMC@NLO  programs for the automatic computation of decay widths that consistently include channels of arbitrary final-state multiplicity. The implementations are generic enough so that they can be used in the framework of any quantum field theory, possibly including higher-dimensional operators. We extend at the same time the conventions of the Universal FEYNRULES  Output (or UFO) format to include decay tables and information on the total widths. We finally provide a set of representative examples of the usage of the new functions of the different codes in the framework of the Standard Model, the Higgs Effective Field Theory, the Strongly Interacting Light Higgs model and the Minimal Supersymmetric Standard Model and compare the results to available literature and programs for validation purposes.

  9. An absolute measure for a key currency

    NASA Astrophysics Data System (ADS)

    Oya, Shunsuke; Aihara, Kazuyuki; Hirata, Yoshito

    It is generally considered that the US dollar and the euro are the key currencies in the world and in Europe, respectively. However, there is no absolute general measure for a key currency. Here, we investigate the 24-hour periodicity of foreign exchange markets using a recurrence plot, and define an absolute measure for a key currency based on the strength of the periodicity. Moreover, we analyze the time evolution of this measure. The results show that the credibility of the US dollar has not decreased significantly since the Lehman shock, when the Lehman Brothers bankrupted and influenced the economic markets, and has increased even relatively better than that of the euro and that of the Japanese yen.

  10. Probing absolute spin polarization at the nanoscale.

    PubMed

    Eltschka, Matthias; Jäck, Berthold; Assig, Maximilian; Kondrashov, Oleg V; Skvortsov, Mikhail A; Etzkorn, Markus; Ast, Christian R; Kern, Klaus

    2014-12-10

    Probing absolute values of spin polarization at the nanoscale offers insight into the fundamental mechanisms of spin-dependent transport. Employing the Zeeman splitting in superconducting tips (Meservey-Tedrow-Fulde effect), we introduce a novel spin-polarized scanning tunneling microscopy that combines the probing capability of the absolute values of spin polarization with precise control at the atomic scale. We utilize our novel approach to measure the locally resolved spin polarization of magnetic Co nanoislands on Cu(111). We find that the spin polarization is enhanced by 65% when increasing the width of the tunnel barrier by only 2.3 Å due to the different decay of the electron orbitals into vacuum. PMID:25423049

  11. From Hubble's NGSL to Absolute Fluxes

    NASA Technical Reports Server (NTRS)

    Heap, Sara R.; Lindler, Don

    2012-01-01

    Hubble's Next Generation Spectral Library (NGSL) consists of R-l000 spectra of 374 stars of assorted temperature, gravity, and metallicity. Each spectrum covers the wavelength range, 0.18-1.00 microns. The library can be viewed and/or downloaded from the website, http://archive.stsci.edu/prepds/stisngsll. Stars in the NGSL are now being used as absolute flux standards at ground-based observatories. However, the uncertainty in the absolute flux is about 2%, which does not meet the requirements of dark-energy surveys. We are therefore developing an observing procedure that should yield fluxes with uncertainties less than 1 % and will take part in an HST proposal to observe up to 15 stars using this new procedure.

  12. Impact of Winko on absolute discharges.

    PubMed

    Balachandra, Krishna; Swaminath, Sam; Litman, Larry C

    2004-01-01

    In Canada, case laws have had a significant impact on the way mentally ill offenders are managed, both in the criminal justice system and in the forensic mental health system. The Supreme Court of Canada's decision with respect to Winko has set a major precedent in the application of the test of significant risk to the safety of the public in making dispositions by the Ontario Review Board and granting absolute discharges to the mentally ill offenders in the forensic health system. Our study examines the impact of the Supreme Court of Canada's decision before and after Winko. The results show that the numbers of absolute discharges have increased post-Winko, which was statistically significant, but there could be other factors influencing this increase.

  13. Asteroid absolute magnitudes and slope parameters

    NASA Technical Reports Server (NTRS)

    Tedesco, Edward F.

    1991-01-01

    A new listing of absolute magnitudes (H) and slope parameters (G) has been created and published in the Minor Planet Circulars; this same listing will appear in the 1992 Ephemerides of Minor Planets. Unlike previous listings, the values of the current list were derived from fits of data at the V band. All observations were reduced in the same fashion using, where appropriate, a single basis default value of 0.15 for the slope parameter. Distances and phase angles were computed for each observation. The data for 113 asteroids was of sufficiently high quality to permit derivation of their H and G. These improved absolute magnitudes and slope parameters will be used to deduce the most reliable bias-corrected asteroid size-frequency distribution yet made.

  14. Absolute-magnitude distributions of supernovae

    SciTech Connect

    Richardson, Dean; Wright, John; Jenkins III, Robert L.; Maddox, Larry

    2014-05-01

    The absolute-magnitude distributions of seven supernova (SN) types are presented. The data used here were primarily taken from the Asiago Supernova Catalogue, but were supplemented with additional data. We accounted for both foreground and host-galaxy extinction. A bootstrap method is used to correct the samples for Malmquist bias. Separately, we generate volume-limited samples, restricted to events within 100 Mpc. We find that the superluminous events (M{sub B} < –21) make up only about 0.1% of all SNe in the bias-corrected sample. The subluminous events (M{sub B} > –15) make up about 3%. The normal Ia distribution was the brightest with a mean absolute blue magnitude of –19.25. The IIP distribution was the dimmest at –16.75.

  15. Absolute and relative dosimetry for ELIMED

    SciTech Connect

    Cirrone, G. A. P.; Schillaci, F.; Scuderi, V.; Cuttone, G.; Candiano, G.; Musumarra, A.; Pisciotta, P.; Romano, F.; Carpinelli, M.; Presti, D. Lo; Raffaele, L.; Tramontana, A.; Cirio, R.; Sacchi, R.; Monaco, V.; Marchetto, F.; Giordanengo, S.

    2013-07-26

    The definition of detectors, methods and procedures for the absolute and relative dosimetry of laser-driven proton beams is a crucial step toward the clinical use of this new kind of beams. Hence, one of the ELIMED task, will be the definition of procedures aiming to obtain an absolute dose measure at the end of the transport beamline with an accuracy as close as possible to the one required for clinical applications (i.e. of the order of 5% or less). Relative dosimetry procedures must be established, as well: they are necessary in order to determine and verify the beam dose distributions and to monitor the beam fluence and the energetic spectra during irradiations. Radiochromic films, CR39, Faraday Cup, Secondary Emission Monitor (SEM) and transmission ionization chamber will be considered, designed and studied in order to perform a fully dosimetric characterization of the ELIMED proton beam.

  16. Competing segregating effects of gravity and shear rate gradients in dense granular flows in a drum: theory and simulations

    NASA Astrophysics Data System (ADS)

    Hill, Kimberly; Tan, Danielle

    2012-11-01

    A well-known rule of thumb for sheared mixtures of different-sized (same density) particles is that larger particles tend to go up (toward the free surface), and the smaller particles, down, commonly referred to as the ``Brazil-nut problem'' or ``kinetic sieving.'' However, it has been recently shown that in a sheared granular mixture, larger particles may rise or fall relative to the small particles, or even rise only partway to some steady-state height in a sheared mixture. We present a theory that accounts for this complex behavior as a balance between gravity-driven segregation effects and, effectively, granular temperature gradients driven by the shear. Then, we test this theory using discrete element method simulations of different mixtures rotated in a partially-filled drum. Using the theory and simulations, we show that for all mixtures we test, the segregation fluxes are driven by the difference between the partitioning of kinetic and contact stresses among the species in the mixture subjected to a gravity-induced contact stress gradient. Specifically, all particles bear a fraction of the local contact stress equal to their local concentration in the mixture, but the smaller particles bear a higher fraction of the local kinetic stress (akin to granular temperature). This presents a new physical mechanism for kinetic sieving: even where the total granular temperature is small, the higher granular temperature of the smaller particles segregates them downward, in the direction of gravity, towards high stress and low temperature regions.

  17. Absolute photoionization cross sections of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Pareek, P. N.

    1985-01-01

    The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

  18. Absolute photoionization cross sections of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Pareek, P. N.

    1982-01-01

    The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

  19. Relative errors can cue absolute visuomotor mappings.

    PubMed

    van Dam, Loes C J; Ernst, Marc O

    2015-12-01

    When repeatedly switching between two visuomotor mappings, e.g. in a reaching or pointing task, adaptation tends to speed up over time. That is, when the error in the feedback corresponds to a mapping switch, fast adaptation occurs. Yet, what is learned, the relative error or the absolute mappings? When switching between mappings, errors with a size corresponding to the relative difference between the mappings will occur more often than other large errors. Thus, we could learn to correct more for errors with this familiar size (Error Learning). On the other hand, it has been shown that the human visuomotor system can store several absolute visuomotor mappings (Mapping Learning) and can use associated contextual cues to retrieve them. Thus, when contextual information is present, no error feedback is needed to switch between mappings. Using a rapid pointing task, we investigated how these two types of learning may each contribute when repeatedly switching between mappings in the absence of task-irrelevant contextual cues. After training, we examined how participants changed their behaviour when a single error probe indicated either the often-experienced error (Error Learning) or one of the previously experienced absolute mappings (Mapping Learning). Results were consistent with Mapping Learning despite the relative nature of the error information in the feedback. This shows that errors in the feedback can have a double role in visuomotor behaviour: they drive the general adaptation process by making corrections possible on subsequent movements, as well as serve as contextual cues that can signal a learned absolute mapping. PMID:26280315

  20. The absolute spectrophotometric catalog by Anita Cochran

    NASA Astrophysics Data System (ADS)

    Burnashev, V. I.; Burnasheva, B. A.; Ruban, E. V.; Hagen-Torn, E. I.

    2014-06-01

    The absolute spectrophotometric catalog by Anita Cochran is presented in a machine-readable form. The catalog systematizes observations acquired at the McDonald Observatory in 1977-1978. The data are compared with other sources, in particular, the calculated broadband stellar magnitudes are compared with photometric observations by other authors, to show that the observational data given in the catalog are reliable and suitable for a variety of applications. Observations of variable stars of different types make Cochran's catalog especially valuable.

  1. Absolute magnitudes and kinematics of barium stars.

    NASA Astrophysics Data System (ADS)

    Gomez, A. E.; Luri, X.; Grenier, S.; Prevot, L.; Mennessier, M. O.; Figueras, F.; Torra, J.

    1997-03-01

    The absolute magnitude of barium stars has been obtained from kinematical data using a new algorithm based on the maximum-likelihood principle. The method allows to separate a sample into groups characterized by different mean absolute magnitudes, kinematics and z-scale heights. It also takes into account, simultaneously, the censorship in the sample and the errors on the observables. The method has been applied to a sample of 318 barium stars. Four groups have been detected. Three of them show a kinematical behaviour corresponding to disk population stars. The fourth group contains stars with halo kinematics. The luminosities of the disk population groups spread a large range. The intrinsically brightest one (M_v_=-1.5mag, σ_M_=0.5mag) seems to be an inhomogeneous group containing barium binaries as well as AGB single stars. The most numerous group (about 150 stars) has a mean absolute magnitude corresponding to stars in the red giant branch (M_v_=0.9mag, σ_M_=0.8mag). The third group contains barium dwarfs, the obtained mean absolute magnitude is characteristic of stars on the main sequence or on the subgiant branch (M_v_=3.3mag, σ_M_=0.5mag). The obtained mean luminosities as well as the kinematical results are compatible with an evolutionary link between barium dwarfs and classical barium giants. The highly luminous group is not linked with these last two groups. More high-resolution spectroscopic data will be necessary in order to better discriminate between barium and non-barium stars.

  2. Determination of rates of reaction in the gas-phase in the troposphere. Theory and practice. Part 4: Rate of indirect photoreaction

    NASA Astrophysics Data System (ADS)

    Leifer, A.

    1992-02-01

    The document describes a test guideline (section 796.3900) which can be used under sections four and five of the Toxic Substances Control Act (TSCA) to regulate industrial chemicals. It describes structure/reactivity (S/R) relationships of Atkinson of the University of California/Riverside for estimating the second order rate constant of k(OH) and the associated half life t(sub 0.5)E for the reaction of an organic chemical with hydroxyl radicals in the gas phase in the troposphere. All pertinent parameters and equations are listed in the report to enable a scientist to calculate k(OH) and t(sub 0.5)E. Sixteen organic chemicals, covering a range of molecular structures, are used to illustrate the use of S/R relationships of Atkinson to estimate k(OH). A hypothetical example is given to illustrate the use of these S/R relationships to define testing under section four of TSCA. A mathematical synopsis of the S/R relationships of Atkinson is given in section four of the report.

  3. Chemical composition of French mimosa absolute oil.

    PubMed

    Perriot, Rodolphe; Breme, Katharina; Meierhenrich, Uwe J; Carenini, Elise; Ferrando, Georges; Baldovini, Nicolas

    2010-02-10

    Since decades mimosa (Acacia dealbata) absolute oil has been used in the flavor and perfume industry. Today, it finds an application in over 80 perfumes, and its worldwide industrial production is estimated five tons per year. Here we report on the chemical composition of French mimosa absolute oil. Straight-chain analogues from C6 to C26 with different functional groups (hydrocarbons, esters, aldehydes, diethyl acetals, alcohols, and ketones) were identified in the volatile fraction. Most of them are long-chain molecules: (Z)-heptadec-8-ene, heptadecane, nonadecane, and palmitic acid are the most abundant, and constituents such as 2-phenethyl alcohol, methyl anisate, and ethyl palmitate are present in smaller amounts. The heavier constituents were mainly triterpenoids such as lupenone and lupeol, which were identified as two of the main components. (Z)-Heptadec-8-ene, lupenone, and lupeol were quantified by GC-MS in SIM mode using external standards and represents 6%, 20%, and 7.8% (w/w) of the absolute oil. Moreover, odorant compounds were extracted by SPME and analyzed by GC-sniffing leading to the perception of 57 odorant zones, of which 37 compounds were identified by their odorant description, mass spectrum, retention index, and injection of the reference compound. PMID:20070087

  4. Measurement of absolute gravity acceleration in Firenze

    NASA Astrophysics Data System (ADS)

    de Angelis, M.; Greco, F.; Pistorio, A.; Poli, N.; Prevedelli, M.; Saccorotti, G.; Sorrentino, F.; Tino, G. M.

    2011-01-01

    This paper reports the results from the accurate measurement of the acceleration of gravity g taken at two separate premises in the Polo Scientifico of the University of Firenze (Italy). In these laboratories, two separate experiments aiming at measuring the Newtonian constant and testing the Newtonian law at short distances are in progress. Both experiments require an independent knowledge on the local value of g. The only available datum, pertaining to the italian zero-order gravity network, was taken more than 20 years ago at a distance of more than 60 km from the study site. Gravity measurements were conducted using an FG5 absolute gravimeter, and accompanied by seismic recordings for evaluating the noise condition at the site. The absolute accelerations of gravity at the two laboratories are (980 492 160.6 ± 4.0) μGal and (980 492 048.3 ± 3.0) μGal for the European Laboratory for Non-Linear Spectroscopy (LENS) and Dipartimento di Fisica e Astronomia, respectively. Other than for the two referenced experiments, the data here presented will serve as a benchmark for any future study requiring an accurate knowledge of the absolute value of the acceleration of gravity in the study region.

  5. A Methodology for Absolute Isotope Composition Measurement

    NASA Astrophysics Data System (ADS)

    Shen, J. J.; Lee, D.; Liang, W.

    2007-12-01

    Double spike technique was a well defined method for isotope composition measurement by TIMS of samples which have natural mass fractionation effect, but it is still a problem to define the isotope composition for double spike itself. In this study, we modified the old double spike technique and found that we could use the modified technique to solve the ¡§true¡¨ isotope composition of double spike itself. According the true isotope composition of double spike, we can measure the absolute isotope composition if the sample has natural fractionation effect. A new vector analytical method has been developed in order to obtain the true isotopic composition of a 42Ca-48Ca double spike, and this is achieved by using two different sample-spike mixtures combined with the double spike and the natural Ca data. Because the natural sample, the two mixtures, and the spike should all lie on a single mixing line, we are able to constrain the true isotopic composition of our double spike using this new approach. This method not only can be used in Ca system but also in Ti, Cr, Fe, Ni, Zn, Mo, Ba and Pb systems. The absolute double spike isotopic ratio is important, which can save a lot of time to check different reference standards. Especially for Pb, radiogenic isotope system, the decay systems embodied in three of four naturally occurring isotopes induce difficult to obtain true isotopic ratios for absolute dating.

  6. Chemical composition of French mimosa absolute oil.

    PubMed

    Perriot, Rodolphe; Breme, Katharina; Meierhenrich, Uwe J; Carenini, Elise; Ferrando, Georges; Baldovini, Nicolas

    2010-02-10

    Since decades mimosa (Acacia dealbata) absolute oil has been used in the flavor and perfume industry. Today, it finds an application in over 80 perfumes, and its worldwide industrial production is estimated five tons per year. Here we report on the chemical composition of French mimosa absolute oil. Straight-chain analogues from C6 to C26 with different functional groups (hydrocarbons, esters, aldehydes, diethyl acetals, alcohols, and ketones) were identified in the volatile fraction. Most of them are long-chain molecules: (Z)-heptadec-8-ene, heptadecane, nonadecane, and palmitic acid are the most abundant, and constituents such as 2-phenethyl alcohol, methyl anisate, and ethyl palmitate are present in smaller amounts. The heavier constituents were mainly triterpenoids such as lupenone and lupeol, which were identified as two of the main components. (Z)-Heptadec-8-ene, lupenone, and lupeol were quantified by GC-MS in SIM mode using external standards and represents 6%, 20%, and 7.8% (w/w) of the absolute oil. Moreover, odorant compounds were extracted by SPME and analyzed by GC-sniffing leading to the perception of 57 odorant zones, of which 37 compounds were identified by their odorant description, mass spectrum, retention index, and injection of the reference compound.

  7. The Carina Project: Absolute and Relative Calibrations

    NASA Astrophysics Data System (ADS)

    Corsi, C. E.; Bono, G.; Walker, A. R.; Brocato, E.; Buonanno, R.; Caputo, F.; Castellani, M.; Castellani, V.; Dall'Ora, M.; Marconi, M.; Monelli, M.; Nonino, M.; Pulone, L.; Ripepi, V.; Smith, H. A.

    We discuss the reduction strategy adopted to perform the relative and the absolute calibration of the Wide Field Imager (WFI) available at the 2.2m ESO/MPI telescope and of the Mosaic Camera (MC) available at the 4m CTIO Blanco telescope. To properly constrain the occurrence of deceptive systematic errors in the relative calibration we observed with each chip the same set of stars. Current photometry seems to suggest that the WFI shows a positional effect when moving from the top to the bottom of individual chips. Preliminary results based on an independent data set collected with the MC suggest that this camera is only marginally affected by the same problem. To perform the absolute calibration we observed with each chip the same set of standard stars. The sample covers a wide color range and the accuracy both in the B and in the V-band appears to be of the order of a few hundredths of magnitude. Finally, we briefly outline the observing strategy to improve both relative and absolute calibrations of mosaic CCD cameras.

  8. Quartz dissolution. I - Negative crystal experiments and a rate law. II - Theory of rough and smooth surfaces

    NASA Technical Reports Server (NTRS)

    Gratz, Andrew J.; Bird, Peter

    1993-01-01

    The range of the measured quartz dissolution rates, as a function of temperature and pOH, extent of saturation, and ionic strength, is extended to cover a wider range of solution chemistries, using the negative crystal methodology of Gratz et al. (1990) to measure the dissolution rate. A simple rate law describing the quartz dissolution kinetics above the point of zero charge of quartz is derived for ionic strengths above 0.003 m. Measurements were performed on some defective crystals, and the mathematics of step motion was developed for quartz dissolution and was compared with rough-face behavior using two different models.

  9. Communication: The absolute shielding scales of oxygen and sulfur revisited

    SciTech Connect

    Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Ruud, Kenneth; Gauss, Jürgen

    2015-03-07

    We present an updated semi-experimental absolute shielding scale for the {sup 17}O and {sup 33}S nuclei. These new shielding scales are based on accurate rotational microwave data for the spin–rotation constants of H{sub 2}{sup 17}O [Puzzarini et al., J. Chem. Phys. 131, 234304 (2009)], C{sup 17}O [Cazzoli et al., Phys. Chem. Chem. Phys. 4, 3575 (2002)], and H{sub 2}{sup 33}S [Helgaker et al., J. Chem. Phys. 139, 244308 (2013)] corrected both for vibrational and temperature effects estimated at the CCSD(T) level of theory as well as for the relativistic corrections to the relation between the spin–rotation constant and the absolute shielding constant. Our best estimate for the oxygen shielding constants of H{sub 2}{sup 17}O is 328.4(3) ppm and for C{sup 17}O −59.05(59) ppm. The relativistic correction for the sulfur shielding of H{sub 2}{sup 33}S amounts to 3.3%, and the new sulfur shielding constant for this molecule is 742.9(4.6) ppm.

  10. Absolute properties of the triple star HP Aurigae

    SciTech Connect

    Lacy, Claud H. Sandberg; Burks, Charles L.; Torres, Guillermo; Wolf, Marek E-mail: clburks@email.uark.edu E-mail: wolf@cesnet.cz

    2014-01-01

    New photometric, spectroscopic, and eclipse timing observations of the eclipsing binary star HP Aur allow for very accurate orbital determinations, even in the presence of a third body and transient starspot activity. The eclipsing binary masses are determined to an accuracy of ±0.4% and the radii to ±0.6%. The masses are 0.9543 ± 0.0041 and 0.8094 ± 0.0036 solar masses, and the radii are 1.0278 ± 0.0042 and 0.7758 ± 0.0034 solar radii, respectively. The orbital period in the outer orbit is accurately determined for the first time: 4.332 ± 0.011 yr. A comparison with current theories of stellar evolution shows that the components' absolute properties can be well-matched by the current models at an age of about 7 billion years.

  11. Rydberg gas theory of a glow discharge plasma: II. Electrode kinetics (probe theory) and the thermal rate constant for Symmetrical charge transfer involving Rydberg atoms of Ar.

    PubMed

    Mason, Rod S

    2010-04-21

    A steady state chemical kinetic model is developed to describe the conduction of electrical current between two probes, of relatively large surface area, immersed in a fast flowing plasma by the mechanism of charge transfer through a gas of Rydberg atoms. It correctly predicts the shape of current-voltage profiles which are similar to those of Langmuir, or floating double probe measurements. The difference is that the plateau current at the probe reflects the transport limited ion current at the cathodic electrode, even when the probe is being scanned in the anodic region. The sharp gradient leading up to the plateau of the I-V curve is associated with the field dependence of the efficiency of Rydberg atom ionisation, not the electron temperature. This approach gives a good qualitative explanation of experimental behaviour over a wide range of probe bias voltages and includes the occurrence of electron impact ionisation at the anode. It also gives a value for the thermal rate coefficient of symmetrical charge transfer between Rydberg atoms of Ar (8.2 x 10(-7) molecule(-1) cm(3) s(-1), at 313 K; plasma density approximately = 10(10) atoms cm(-3), total pressure = 2.7 mbar).

  12. Item Response Theory Analyses of Parent and Teacher Ratings of the ADHD Symptoms for Recoded Dichotomous Scores

    ERIC Educational Resources Information Center

    Gomez, Rapson; Vance, Alasdair; Gomez, Andre

    2011-01-01

    Objective: The two-parameter logistic model (2PLM) was used to evaluate the psychometric properties of the inattention (IA) and hyperactivity/impulsivity (HI) symptoms. Method: To accomplish this, parents and teachers completed the Disruptive Behavior Rating Scale (DBRS) for a group of 934 primary school-aged children. Results: The results for the…

  13. Theory for rates, equilibrium constants, and Brønsted slopes in F1-ATPase single molecule imaging experiments

    PubMed Central

    Volkán-Kacsó, Sándor; Marcus, Rudolph A.

    2015-01-01

    A theoretical model of elastically coupled reactions is proposed for single molecule imaging and rotor manipulation experiments on F1-ATPase. Stalling experiments are considered in which rates of individual ligand binding, ligand release, and chemical reaction steps have an exponential dependence on rotor angle. These data are treated in terms of the effect of thermodynamic driving forces on reaction rates, and lead to equations relating rate constants and free energies to the stalling angle. These relations, in turn, are modeled using a formalism originally developed to treat electron and other transfer reactions. During stalling the free energy profile of the enzymatic steps is altered by a work term due to elastic structural twisting. Using biochemical and single molecule data, the dependence of the rate constant and equilibrium constant on the stall angle, as well as the Børnsted slope are predicted and compared with experiment. Reasonable agreement is found with stalling experiments for ATP and GTP binding. The model can be applied to other torque-generating steps of reversible ligand binding, such as ADP and Pi release, when sufficient data become available. PMID:26483483

  14. Theory for rates, equilibrium constants, and Brønsted slopes in F1-ATPase single molecule imaging experiments.

    PubMed

    Volkán-Kacsó, Sándor; Marcus, Rudolph A

    2015-11-17

    A theoretical model of elastically coupled reactions is proposed for single molecule imaging and rotor manipulation experiments on F1-ATPase. Stalling experiments are considered in which rates of individual ligand binding, ligand release, and chemical reaction steps have an exponential dependence on rotor angle. These data are treated in terms of the effect of thermodynamic driving forces on reaction rates, and lead to equations relating rate constants and free energies to the stalling angle. These relations, in turn, are modeled using a formalism originally developed to treat electron and other transfer reactions. During stalling the free energy profile of the enzymatic steps is altered by a work term due to elastic structural twisting. Using biochemical and single molecule data, the dependence of the rate constant and equilibrium constant on the stall angle, as well as the Børnsted slope are predicted and compared with experiment. Reasonable agreement is found with stalling experiments for ATP and GTP binding. The model can be applied to other torque-generating steps of reversible ligand binding, such as ADP and Pi release, when sufficient data become available.

  15. Absolute Radiometric Calibration of EUNIS-06

    NASA Technical Reports Server (NTRS)

    Thomas, R. J.; Rabin, D. M.; Kent, B. J.; Paustian, W.

    2007-01-01

    The Extreme-Ultraviolet Normal-Incidence Spectrometer (EUNIS) is a soundingrocket payload that obtains imaged high-resolution spectra of individual solar features, providing information about the Sun's corona and upper transition region. Shortly after its successful initial flight last year, a complete end-to-end calibration was carried out to determine the instrument's absolute radiometric response over its Longwave bandpass of 300 - 370A. The measurements were done at the Rutherford-Appleton Laboratory (RAL) in England, using the same vacuum facility and EUV radiation source used in the pre-flight calibrations of both SOHO/CDS and Hinode/EIS, as well as in three post-flight calibrations of our SERTS sounding rocket payload, the precursor to EUNIS. The unique radiation source provided by the Physikalisch-Technische Bundesanstalt (PTB) had been calibrated to an absolute accuracy of 7% (l-sigma) at 12 wavelengths covering our bandpass directly against the Berlin electron storage ring BESSY, which is itself a primary radiometric source standard. Scans of the EUNIS aperture were made to determine the instrument's absolute spectral sensitivity to +- 25%, considering all sources of error, and demonstrate that EUNIS-06 was the most sensitive solar E W spectrometer yet flown. The results will be matched against prior calibrations which relied on combining measurements of individual optical components, and on comparisons with theoretically predicted 'insensitive' line ratios. Coordinated observations were made during the EUNIS-06 flight by SOHO/CDS and EIT that will allow re-calibrations of those instruments as well. In addition, future EUNIS flights will provide similar calibration updates for TRACE, Hinode/EIS, and STEREO/SECCHI/EUVI.

  16. Achieving Climate Change Absolute Accuracy in Orbit

    NASA Technical Reports Server (NTRS)

    Wielicki, Bruce A.; Young, D. F.; Mlynczak, M. G.; Thome, K. J; Leroy, S.; Corliss, J.; Anderson, J. G.; Ao, C. O.; Bantges, R.; Best, F.; Bowman, K.; Brindley, H.; Butler, J. J.; Collins, W.; Dykema, J. A.; Doelling, D. R.; Feldman, D. R.; Fox, N.; Huang, X.; Holz, R.; Huang, Y.; Jennings, D.; Jin, Z.; Johnson, D. G.; Jucks, K.; Kato, S.; Kratz, D. P.; Liu, X.; Lukashin, C.; Mannucci, A. J.; Phojanamongkolkij, N.; Roithmayr, C. M.; Sandford, S.; Taylor, P. C.; Xiong, X.

    2013-01-01

    The Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission will provide a calibration laboratory in orbit for the purpose of accurately measuring and attributing climate change. CLARREO measurements establish new climate change benchmarks with high absolute radiometric accuracy and high statistical confidence across a wide range of essential climate variables. CLARREO's inherently high absolute accuracy will be verified and traceable on orbit to Système Internationale (SI) units. The benchmarks established by CLARREO will be critical for assessing changes in the Earth system and climate model predictive capabilities for decades into the future as society works to meet the challenge of optimizing strategies for mitigating and adapting to climate change. The CLARREO benchmarks are derived from measurements of the Earth's thermal infrared spectrum (5-50 micron), the spectrum of solar radiation reflected by the Earth and its atmosphere (320-2300 nm), and radio occultation refractivity from which accurate temperature profiles are derived. The mission has the ability to provide new spectral fingerprints of climate change, as well as to provide the first orbiting radiometer with accuracy sufficient to serve as the reference transfer standard for other space sensors, in essence serving as a "NIST [National Institute of Standards and Technology] in orbit." CLARREO will greatly improve the accuracy and relevance of a wide range of space-borne instruments for decadal climate change. Finally, CLARREO has developed new metrics and methods for determining the accuracy requirements of climate observations for a wide range of climate variables and uncertainty sources. These methods should be useful for improving our understanding of observing requirements for most climate change observations.

  17. Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation.

    PubMed

    Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G

    2016-06-22

    Understanding the falloff in rate constants of gas-phase unimolecular reaction rate constants as the pressure is lowered is a fundamental problem in chemical kinetics, with practical importance for combustion, atmospheric chemistry, and essentially all gas-phase reaction mechanisms. In the present work, we use our recently developed system-specific quantum RRK theory, calibrated by canonical variational transition state theory with small-curvature tunneling, combined with the Lindemann-Hinshelwood mechanism, to model the dissociation reaction of fluoroform (CHF3), which provides a definitive test for falloff modeling. Our predicted pressure-dependent thermal rate constants are in excellent agreement with experimental values over a wide range of pressures and temperatures. The present validation of our methodology, which is able to include variational transition state effects, multidimensional tunneling based on the directly calculated potential energy surface along the tunneling path, and torsional and other vibrational anharmonicity, together with state-of-the-art reaction-path-based direct dynamics calculations, is important because the method is less empirical than models routinely used for generating full mechanisms, while also being simpler in key respects than full master equation treatments and the full reduced falloff curve and modified strong collision methods of Troe. PMID:27273734

  18. Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation.

    PubMed

    Bao, Junwei Lucas; Zhang, Xin; Truhlar, Donald G

    2016-06-22

    Understanding the falloff in rate constants of gas-phase unimolecular reaction rate constants as the pressure is lowered is a fundamental problem in chemical kinetics, with practical importance for combustion, atmospheric chemistry, and essentially all gas-phase reaction mechanisms. In the present work, we use our recently developed system-specific quantum RRK theory, calibrated by canonical variational transition state theory with small-curvature tunneling, combined with the Lindemann-Hinshelwood mechanism, to model the dissociation reaction of fluoroform (CHF3), which provides a definitive test for falloff modeling. Our predicted pressure-dependent thermal rate constants are in excellent agreement with experimental values over a wide range of pressures and temperatures. The present validation of our methodology, which is able to include variational transition state effects, multidimensional tunneling based on the directly calculated potential energy surface along the tunneling path, and torsional and other vibrational anharmonicity, together with state-of-the-art reaction-path-based direct dynamics calculations, is important because the method is less empirical than models routinely used for generating full mechanisms, while also being simpler in key respects than full master equation treatments and the full reduced falloff curve and modified strong collision methods of Troe.

  19. Absolute calibration of the Auger fluorescence detectors

    SciTech Connect

    Bauleo, P.; Brack, J.; Garrard, L.; Harton, J.; Knapik, R.; Meyhandan, R.; Rovero, A.C.; Tamashiro, A.; Warner, D.

    2005-07-01

    Absolute calibration of the Pierre Auger Observatory fluorescence detectors uses a light source at the telescope aperture. The technique accounts for the combined effects of all detector components in a single measurement. The calibrated 2.5 m diameter light source fills the aperture, providing uniform illumination to each pixel. The known flux from the light source and the response of the acquisition system give the required calibration for each pixel. In the lab, light source uniformity is studied using CCD images and the intensity is measured relative to NIST-calibrated photodiodes. Overall uncertainties are presently 12%, and are dominated by systematics.

  20. Characterization of the DARA solar absolute radiometer

    NASA Astrophysics Data System (ADS)

    Finsterle, W.; Suter, M.; Fehlmann, A.; Kopp, G.

    2011-12-01

    The Davos Absolute Radiometer (DARA) prototype is an Electrical Substitution Radiometer (ESR) which has been developed as a successor of the PMO6 type on future space missions and ground based TSI measurements. The DARA implements an improved thermal design of the cavity detector and heat sink assembly to minimize air-vacuum differences and to maximize thermal symmetry of measuring and compensating cavity. The DARA also employs an inverted viewing geometry to reduce internal stray light. We will report on the characterization and calibration experiments which were carried out at PMOD/WRC and LASP (TRF).

  1. Absolute Priority for a Vehicle in VANET

    NASA Astrophysics Data System (ADS)

    Shirani, Rostam; Hendessi, Faramarz; Montazeri, Mohammad Ali; Sheikh Zefreh, Mohammad

    In today's world, traffic jams waste hundreds of hours of our life. This causes many researchers try to resolve the problem with the idea of Intelligent Transportation System. For some applications like a travelling ambulance, it is important to reduce delay even for a second. In this paper, we propose a completely infrastructure-less approach for finding shortest path and controlling traffic light to provide absolute priority for an emergency vehicle. We use the idea of vehicular ad-hoc networking to reduce the imposed travelling time. Then, we simulate our proposed protocol and compare it with a centrally controlled traffic light system.

  2. Absolute method of measuring magnetic susceptibility

    USGS Publications Warehouse

    Thorpe, A.; Senftle, F.E.

    1959-01-01

    An absolute method of standardization and measurement of the magnetic susceptibility of small samples is presented which can be applied to most techniques based on the Faraday method. The fact that the susceptibility is a function of the area under the curve of sample displacement versus distance of the magnet from the sample, offers a simple method of measuring the susceptibility without recourse to a standard sample. Typical results on a few substances are compared with reported values, and an error of less than 2% can be achieved. ?? 1959 The American Institute of Physics.

  3. Equilibrium Fermi's Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory.

    PubMed

    Sun, Xiang; Geva, Eitan

    2016-05-19

    In this article, we present a comprehensive comparison between the linearized semiclassical expression for the equilibrium Fermi's golden rule rate constant and the progression of more approximate expressions that lead to the classical Marcus expression. We do so within the context of the canonical Marcus model, where the donor and acceptor potential energy surface are parabolic and identical except for a shift in both the free energies and equilibrium geometries, and within the Condon region. The comparison is performed for two different spectral densities and over a wide range of frictions and temperatures, thereby providing a clear test for the validity, or lack thereof, of the more approximate expressions. We also comment on the computational cost and scaling associated with numerically calculating the linearized semiclassical expression for the rate constant and its dependence on the spectral density, temperature, and friction.

  4. Organ-specific rates of cellular respiration in developing sunflower seedlings and their bearing on metabolic scaling theory.

    PubMed

    Kutschera, Ulrich; Niklas, Karl J

    2012-10-01

    Fifty years ago Max Kleiber described what has become known as the "mouse-to-elephant" curve, i.e., a log-log plot of basal metabolic rate versus body mass. From these data, "Kleiber's 3/4 law" was deduced, which states that metabolic activity scales as the three fourths-power of body mass. However, for reasons unknown so far, no such "universal scaling law" has been discovered for land plants (embryophytes). Here, we report that the metabolic rates of four different organs (cotyledons, cotyledonary hook, hypocotyl, and roots) of developing sunflower (Helianthus annuus L.) seedlings grown in darkness (skotomorphogenesis) and in white light (photomorphogenesis) differ by a factor of 2 to 5 and are largely independent of light treatment. The organ-specific respiration rate (oxygen uptake per minute per gram of fresh mass) of the apical hook, which is composed of cells with densely packaged cytoplasm, is much higher than that of the hypocotyl, an organ that contains vacuolated cells. Data for cell length, cell density, and DNA content reveal that (1) hook opening in white light is caused by a stimulation of cell elongation on the inside of the curved organ, (2) respiration, cell density and DNA content are much higher in the hook than in the stem, and (3) organ-specific respiration rates and the DNA contents of tissues are statistically correlated. We conclude that, due to the heterogeneity of the plant body caused by the vacuolization of the cells, Kleiber's law, which was deduced using mammals as a model system, cannot be applied to embryophytes. In plants, this rule may reflect scaling phenomena at the level of the metabolically active protoplasmic contents of the cells.

  5. Damping rates and mean free paths of soft fermion collective excitations in a hot fermion-gauge-scalar theory

    SciTech Connect

    Wang, S.-Y.; Boyanovsky, D.; Vega, H. J. de; Lee, D.-S.; Ng, Y. J.

    2000-03-15

    We study the transport coefficients, damping rates, and mean free paths of soft fermion collective excitations in a hot fermion-gauge-scalar plasma with the goal of understanding the main physical mechanisms that determine transport of chirality in scenarios of nonlocal electroweak baryogenesis. The focus is on identifying the different transport coefficients for the different branches of soft collective excitations of the fermion spectrum. These branches correspond to collective excitations with opposite ratios of chirality to helicity and different dispersion relations. By combining results from the hard thermal loop (HTL) resummation program with a novel mechanism of fermion damping through heavy scalar decay, we obtain a robust description of the different damping rates and mean free paths for the soft collective excitations to leading order in HTL and lowest order in the Yukawa coupling. The space-time evolution of wave packets of collective excitations unambiguously reveals the respective mean free paths. We find that whereas both the gauge and scalar contribution to the damping rates are different for the different branches, the difference of mean free paths for both branches is mainly determined by the decay of the heavy scalar into a hard fermion and a soft collective excitation. We argue that these mechanisms are robust and are therefore relevant for nonlocal scenarios of baryogenesis either in the standard model or extensions thereof. (c) 2000 The American Physical Society.

  6. Sentinel-2/MSI absolute calibration: first results

    NASA Astrophysics Data System (ADS)

    Lonjou, V.; Lachérade, S.; Fougnie, B.; Gamet, P.; Marcq, S.; Raynaud, J.-L.; Tremas, T.

    2015-10-01

    Sentinel-2 is an optical imaging mission devoted to the operational monitoring of land and coastal areas. It is developed in partnership between the European Commission and the European Space Agency. The Sentinel-2 mission is based on a satellites constellation deployed in polar sun-synchronous orbit. It will offer a unique combination of global coverage with a wide field of view (290km), a high revisit (5 days with two satellites), a high resolution (10m, 20m and 60m) and multi-spectral imagery (13 spectral bands in visible and shortwave infra-red domains). CNES is involved in the instrument commissioning in collaboration with ESA. This paper reviews all the techniques that will be used to insure an absolute calibration of the 13 spectral bands better than 5% (target 3%), and will present the first results if available. First, the nominal calibration technique, based on an on-board sun diffuser, is detailed. Then, we show how vicarious calibration methods based on acquisitions over natural targets (oceans, deserts, and Antarctica during winter) will be used to check and improve the accuracy of the absolute calibration coefficients. Finally, the verification scheme, exploiting photometer in-situ measurements over Lacrau plain, is described. A synthesis, including spectral coherence, inter-methods agreement and temporal evolution, will conclude the paper.

  7. Experimental results for absolute cylindrical wavefront testing

    NASA Astrophysics Data System (ADS)

    Reardon, Patrick J.; Alatawi, Ayshah

    2014-09-01

    Applications for Cylindrical and near-cylindrical surfaces are ever-increasing. However, fabrication of high quality cylindrical surfaces is limited by the difficulty of accurate and affordable metrology. Absolute testing of such surfaces represents a challenge to the optical testing community as cylindrical reference wavefronts are difficult to produce. In this paper, preliminary results for a new method of absolute testing of cylindrical wavefronts are presented. The method is based on the merging of the random ball test method with the fiber optic reference test. The random ball test assumes a large number of interferograms of a good quality sphere with errors that are statistically distributed such that the average of the errors goes to zero. The fiber optic reference test utilizes a specially processed optical fiber to provide a clean high quality reference wave from an incident line focus from the cylindrical wave under test. By taking measurements at different rotation and translations of the fiber, an analogous procedure can be employed to determine the quality of the converging cylindrical wavefront with high accuracy. This paper presents and discusses the results of recent tests of this method using a null optic formed by a COTS cylindrical lens and a free-form polished corrector element.

  8. Absolute Electron Extraction Efficiency of Liquid Xenon

    NASA Astrophysics Data System (ADS)

    Kamdin, Katayun; Mizrachi, Eli; Morad, James; Sorensen, Peter

    2016-03-01

    Dual phase liquid/gas xenon time projection chambers (TPCs) currently set the world's most sensitive limits on weakly interacting massive particles (WIMPs), a favored dark matter candidate. These detectors rely on extracting electrons from liquid xenon into gaseous xenon, where they produce proportional scintillation. The proportional scintillation from the extracted electrons serves to internally amplify the WIMP signal; even a single extracted electron is detectable. Credible dark matter searches can proceed with electron extraction efficiency (EEE) lower than 100%. However, electrons systematically left at the liquid/gas boundary are a concern. Possible effects include spontaneous single or multi-electron proportional scintillation signals in the gas, or charging of the liquid/gas interface or detector materials. Understanding EEE is consequently a serious concern for this class of rare event search detectors. Previous EEE measurements have mostly been relative, not absolute, assuming efficiency plateaus at 100%. I will present an absolute EEE measurement with a small liquid/gas xenon TPC test bed located at Lawrence Berkeley National Laboratory.

  9. Why to compare absolute numbers of mitochondria.

    PubMed

    Schmitt, Sabine; Schulz, Sabine; Schropp, Eva-Maria; Eberhagen, Carola; Simmons, Alisha; Beisker, Wolfgang; Aichler, Michaela; Zischka, Hans

    2014-11-01

    Prompted by pronounced structural differences between rat liver and rat hepatocellular carcinoma mitochondria, we suspected these mitochondrial populations to differ massively in their molecular composition. Aiming to reveal these mitochondrial differences, we came across the issue on how to normalize such comparisons and decided to focus on the absolute number of mitochondria. To this end, fluorescently stained mitochondria were quantified by flow cytometry. For rat liver mitochondria, this approach resulted in mitochondrial protein contents comparable to earlier reports using alternative methods. We determined similar protein contents for rat liver, heart and kidney mitochondria. In contrast, however, lower protein contents were determined for rat brain mitochondria and for mitochondria from the rat hepatocellular carcinoma cell line McA 7777. This result challenges mitochondrial comparisons that rely on equal protein amounts as a typical normalization method. Exemplarily, we therefore compared the activity and susceptibility toward inhibition of complex II of rat liver and hepatocellular carcinoma mitochondria and obtained significant discrepancies by either normalizing to protein amount or to absolute mitochondrial number. Importantly, the latter normalization, in contrast to the former, demonstrated a lower complex II activity and higher susceptibility toward inhibition in hepatocellular carcinoma mitochondria compared to liver mitochondria. These findings demonstrate that solely normalizing to protein amount may obscure essential molecular differences between mitochondrial populations.

  10. Absolute Proper Motions of Southern Globular Clusters

    NASA Astrophysics Data System (ADS)

    Dinescu, D. I.; Girard, T. M.; van Altena, W. F.

    1996-05-01

    Our program involves the determination of absolute proper motions with respect to galaxies for a sample of globular clusters situated in the southern sky. The plates cover a 6(deg) x 6(deg) area and are taken with the 51-cm double astrograph at Cesco Observatory in El Leoncito, Argentina. We have developed special methods to deal with the modelling error of the plate transformation and we correct for magnitude equation using the cluster stars. This careful astrometric treatment leads to accuracies of from 0.5 to 1.0 mas/yr for the absolute proper motion of each cluster, depending primarily on the number of measurable cluster stars which in turn is related to the cluster's distance. Space velocities are then derived which, in association with metallicities, provide key information for the formation scenario of the Galaxy, i.e. accretion and/or dissipational collapse. Here we present results for NGC 1851, NGC 6752, NGC 6584, NGC 6362 and NGC 288.

  11. Relational versus absolute representation in categorization.

    PubMed

    Edwards, Darren J; Pothos, Emmanuel M; Perlman, Amotz

    2012-01-01

    This study explores relational-like and absolute-like representations in categorization. Although there is much evidence that categorization processes can involve information about both the particular physical properties of studied instances and abstract (relational) properties, there has been little work on the factors that lead to one kind of representation as opposed to the other. We tested 370 participants in 6 experiments, in which participants had to classify new items into predefined artificial categories. In 4 experiments, we observed a predominantly relational-like mode of classification, and in 2 experiments we observed a shift toward an absolute-like mode of classification. These results suggest 3 factors that promote a relational-like mode of classification: fewer items per group, more training groups, and the presence of a time delay. Overall, we propose that less information about the distributional properties of a category or weaker memory traces for the category exemplars (induced, e.g., by having smaller categories or a time delay) can encourage relational-like categorization.

  12. Absolute memory for musical pitch: evidence from the production of learned melodies.

    PubMed

    Levitin, D J

    1994-10-01

    Evidence for the absolute nature of long-term auditory memory is provided by analyzing the production of familiar melodies. Additionally, a two-component theory of absolute pitch is presented, in which this rare ability is conceived as consisting of a more common ability, pitch memory, and a separate, less common ability, pitch labeling. Forty-six subjects sang two different popular songs, and their productions were compared with the actual pitches used in recordings of those songs. Forty percent of the subjects sang the correct pitch on at least one trial; 12% of the subjects hit the correct pitch on both trials, and 44% came within two semitones of the correct pitch on both trials. The results show a convergence with previous studies on the stability of auditory imagery and latent absolute pitch ability; the results further suggest that individuals might possess representations of pitch that are more stable and accurate than previously recognized. PMID:7984397

  13. A Conceptual Approach to Absolute Value Equations and Inequalities

    ERIC Educational Resources Information Center

    Ellis, Mark W.; Bryson, Janet L.

    2011-01-01

    The absolute value learning objective in high school mathematics requires students to solve far more complex absolute value equations and inequalities. When absolute value problems become more complex, students often do not have sufficient conceptual understanding to make any sense of what is happening mathematically. The authors suggest that the…

  14. Using, Seeing, Feeling, and Doing Absolute Value for Deeper Understanding

    ERIC Educational Resources Information Center

    Ponce, Gregorio A.

    2008-01-01

    Using sticky notes and number lines, a hands-on activity is shared that anchors initial student thinking about absolute value. The initial point of reference should help students successfully evaluate numeric problems involving absolute value. They should also be able to solve absolute value equations and inequalities that are typically found in…

  15. On the Theory of Oxidation-Reduction Reactions Involving Electron Transfer. V. Comparison and Properties of Electrochemical and Chemical Rate Constants

    DOE R&D Accomplishments Database

    Marcus, R. A.

    1962-01-01

    Using a theory of electron transfers which takes cognizance of reorganization of the medium outside the inner coordination shell and of changes of bond lengths inside it, relations between electrochemical and related chemical rate constants are deduced and compared with the experimental data. A correlation is found, without the use of arbitrary parameters. Effects of weak complexes with added electrolytes are included under specified conditions. The deductions offer a way of coordinating a variety of data in the two fields, internally as well as with each those in another. For example, the rate of oxidation or reduction of a series of related reactants by one reagent is correlated with that of another and with that of the corresponding electrochemical oxidation-reduction reaction, under certain specified conditions. These correlations may also provide a test for distinguishing an electron from an atom transfer mechanism. (auth)

  16. Separating climate change signals into thermodynamic, lapse-rate and circulation effects: theory and application to the European summer climate

    NASA Astrophysics Data System (ADS)

    Kröner, Nico; Kotlarski, Sven; Fischer, Erich; Lüthi, Daniel; Zubler, Elias; Schär, Christoph

    2016-07-01

    Climate models robustly project a strong overall summer warming across Europe showing a characteristic north-south gradient with enhanced warming and drying in southern Europe. However, the processes that are responsible for this pattern are not fully understood. We here employ an extended surrogate or pseudo-warming approach to disentangle the contribution of different mechanisms to this response pattern. The basic idea of the surrogate technique is to use a regional climate model and apply a large-scale warming to the lateral boundary conditions of a present-day reference simulation, while maintaining the relative humidity (and thus implicitly increasing the specific moisture content). In comparison to previous studies, our approach includes two important extensions: first, different vertical warming profiles are applied in order to separate the effects of a mean warming from lapse-rate effects. Second, a twin-design is used, in which the climate change signals are not only added to present-day conditions, but also subtracted from a scenario experiment. We demonstrate that these extensions provide an elegant way to separate the full climate change signal into contributions from large-scale thermodynamic (TD), lapse-rate (LR), and circulation and other remaining effects (CO). The latter in particular include changes in land-ocean contrast and spatial variations of the SST warming patterns. We find that the TD effect yields a large-scale warming across Europe with no distinct latitudinal gradient. The LR effect, which is quantified for the first time in our study, leads to a stronger warming and some drying in southern Europe. It explains about 50 % of the warming amplification over the Iberian Peninsula, thus demonstrating the important role of lapse-rate changes. The effect is linked to an extending Hadley circulation. The CO effect as inherited from the driving GCM is shown to further amplify the north-south temperature change gradient. In terms of mean summer

  17. Separating climate change signals into thermodynamic, lapse-rate and circulation effects: Theory and application to the European summer climate

    NASA Astrophysics Data System (ADS)

    Kroener, Nico; Kotlarski, Sven; Fischer, Erich; Lüthi, Daniel; Zubler, Elias; Schär, Christoph

    2016-04-01

    Climate models robustly project a strong overall summer warming across Europe showing a characteristic north-south gradient with enhanced warming and drying in southern Europe. However, the processes that are responsible for this pattern are not fully understood. We here employ an extended surrogate or pseudo-warming approach to disentangle the contribution of different mechanisms to this response pattern. The basic idea of the surrogate technique is to use a regional climate model and apply a large-scale warming to the lateral boundary conditions of a present-day reference simulation, while maintaining the relative humidity (and thus implicitly increasing the specific moisture content). In comparison to previous studies, our approach includes two important extensions: First, different vertical warming profiles are applied in order to separate the effects of a mean warming from lapse-rate effects. Second, a twin-design is used, in which the temperature change signal is not only added to present-day conditions, but also subtracted from a scenario experiment. We use the regional climate model COSMO-CLM with a grid spacing of approximately 50 km (EURO-CORDEX EUR-44 setup) using transient simulations (1950-2100) with the RCP8.5 emissions scenario. We demonstrate that the aforementioned extensions provide an elegant way to separate the full climate change signal into contributions from large-scale thermodynamics (LST), lapse-rate (LR) and large-scale circulation (LSC). In our framework the LSC effect also includes effects due to changes in land-sea contrast and the spatial variations of the SST warming pattern. We find that the LST effect yields a large-scale warming across Europe without any distinct latitudinal gradient. The LR effect, which is quantified for the first time in our study, leads to a stronger warming and some drying in Southern Europe. It explains about 50% of the warming amplification over the Iberian Peninsula, thus demonstrating the important role of

  18. A nonmusical paradigm for identifying absolute pitch possessors

    NASA Astrophysics Data System (ADS)

    Ross, David A.; Olson, Ingrid R.; Marks, Lawrence E.; Gore, John C.

    2004-09-01

    The ability to identify and reproduce sounds of specific frequencies is remarkable and uncommon. The etiology and defining characteristics of this skill, absolute pitch (AP), have been very controversial. One theory suggests that AP requires a specific type of early musical training and that the ability to encode and remember tones depends on these learned musical associations. An alternate theory argues that AP may be strongly dependent on hereditary factors and relatively independent of musical experience. To date, it has been difficult to test these hypotheses because all previous paradigms for identifying AP have required subjects to employ knowledge of musical nomenclature. As such, these tests are insensitive to the possibility of discovering AP in either nonmusicians or musicians of non-Western training. Based on previous literature in pitch memory, a paradigm is presented that is intended to distinguish between AP possessors and nonpossessors independent of the subjects' musical experience. The efficacy of this method is then tested with 20 classically defined AP possessors and 22 nonpossessors. Data from these groups strongly support the validity of the paradigm. The use of a nonmusical paradigm to identify AP may facilitate research into many aspects of this phenomenon.

  19. The Absolute Radiometric Calibration of Space - Sensors.

    NASA Astrophysics Data System (ADS)

    Holm, Ronald Gene

    1987-09-01

    The need for absolute radiometric calibration of space-based sensors will continue to increase as new generations of space sensors are developed. A reflectance -based in-flight calibration procedure is used to determine the radiance reaching the entrance pupil of the sensor. This procedure uses ground-based measurements coupled with a radiative transfer code to characterize the effects the atmosphere has on the signal reaching the sensor. The computed radiance is compared to the digital count output of the sensor associated with the image of a test site. This provides an update to the preflight calibration of the system and a check on the on-board internal calibrator. This calibration procedure was used to perform a series of five calibrations of the Landsat-5 Thematic Mapper (TM). For the 12 measurements made in TM bands 1-3, the RMS variation from the mean as a percentage of the mean is (+OR-) 1.9%, and for measurements in the IR, TM bands 4,5, and 7, the value is (+OR-) 3.4%. The RMS variation for all 23 measurements is (+OR-) 2.8%. The absolute calibration techniques were put to another test with a series of three calibration of the SPOT-1 High Resolution Visible, (HRV), sensors. The ratio, HRV-2/HRV-1, of absolute calibration coefficients compared very well with ratios of histogrammed data obtained when the cameras simultaneously imaged the same ground site. Bands PA, B1 and B3 agreed to within 3%, while band B2 showed a 7% difference. The procedure for performing a satellite calibration was then used to demonstrate how a calibrated satellite sensor can be used to quantitatively evaluate surface reflectance over a wide range of surface features. Predicted reflectance factors were compared to values obtained from aircraft -based radiometer data. This procedure was applied on four dates with two different surface conditions per date. A strong correlation, R('2) = .996, was shown between reflectance values determined from satellite imagery and low-flying aircraft

  20. The interactions between temperature and activity levels in driving metabolic rate: theory, with empirical validation from contrasting ectotherms.

    PubMed

    Halsey, L G; Matthews, P G D; Rezende, E L; Chauvaud, L; Robson, A A

    2015-04-01

    The rate of change in resting metabolic rate (RMR) as a result of a temperature increase of 10 °C is termed the temperature coefficient (Q10), which is often used to predict how an organism's total MR will change with temperature. However, this method neglects a potentially key component of MR; changes in activity level (and thus activity MR; AMR) with temperature may significantly alter the relationship between MR and temperature. The present study seeks to describe how thermal effects on total MR estimated from RMR-temperature measurements can be misleading when the contribution of activity to total MR is neglected. A simple conceptual framework illustrates that since the relationship between activity levels and temperature can be different to the relationship between RMR and temperature, a consistent relationship between RMR and total MR cannot be assumed. Thus the thermal effect on total MR can be considerably different to the thermal effect on RMR. Simultaneously measured MR and activity from three ectotherm species with differing behavioural and physiological ecologies were used to empirically examine how changes in temperature drive changes in RMR, activity level, AMR and the Q10 of MR. These species exhibited varied activity- and MR-temperature relationships, underlining the difficulty in predicting thermal influences on activity levels and total MR. These data support a model showing that thermal effects on total MR will deviate from predictions based solely on RMR; this deviation will depend upon the difference in Q10 between AMR and RMR, and the relative contribution of AMR to total MR. To develop mechanistic, predictive models for species' metabolic responses to temperature changes, empirical information about the relationships between activity levels, MR and temperature, such as reported here, is required. This will supersede predictions based on RMR alone.

  1. The interactions between temperature and activity levels in driving metabolic rate: theory, with empirical validation from contrasting ectotherms.

    PubMed

    Halsey, L G; Matthews, P G D; Rezende, E L; Chauvaud, L; Robson, A A

    2015-04-01

    The rate of change in resting metabolic rate (RMR) as a result of a temperature increase of 10 °C is termed the temperature coefficient (Q10), which is often used to predict how an organism's total MR will change with temperature. However, this method neglects a potentially key component of MR; changes in activity level (and thus activity MR; AMR) with temperature may significantly alter the relationship between MR and temperature. The present study seeks to describe how thermal effects on total MR estimated from RMR-temperature measurements can be misleading when the contribution of activity to total MR is neglected. A simple conceptual framework illustrates that since the relationship between activity levels and temperature can be different to the relationship between RMR and temperature, a consistent relationship between RMR and total MR cannot be assumed. Thus the thermal effect on total MR can be considerably different to the thermal effect on RMR. Simultaneously measured MR and activity from three ectotherm species with differing behavioural and physiological ecologies were used to empirically examine how changes in temperature drive changes in RMR, activity level, AMR and the Q10 of MR. These species exhibited varied activity- and MR-temperature relationships, underlining the difficulty in predicting thermal influences on activity levels and total MR. These data support a model showing that thermal effects on total MR will deviate from predictions based solely on RMR; this deviation will depend upon the difference in Q10 between AMR and RMR, and the relative contribution of AMR to total MR. To develop mechanistic, predictive models for species' metabolic responses to temperature changes, empirical information about the relationships between activity levels, MR and temperature, such as reported here, is required. This will supersede predictions based on RMR alone. PMID:25575673

  2. Use of Absolute and Comparative Performance Feedback in Absolute and Comparative Judgments and Decisions

    ERIC Educational Resources Information Center

    Moore, Don A.; Klein, William M. P.

    2008-01-01

    Which matters more--beliefs about absolute ability or ability relative to others? This study set out to compare the effects of such beliefs on satisfaction with performance, self-evaluations, and bets on future performance. In Experiment 1, undergraduate participants were told they had answered 20% correct, 80% correct, or were not given their…

  3. Spectroscopic determination of electrical conductivity in an MHD duct from absolute intensity measurements

    NASA Technical Reports Server (NTRS)

    Wang, S. Y.; Smith, J. M.

    1977-01-01

    Measurements of the electrical conductivity in the NASA Lewis cesium seeded, H2-O2 MHD duct made by applying a voltage across the channel from one end electrode to the other, measuring the current, and using the inner electrodes as probes to monitor the voltage distribution along the channel were found to be in good agreement with theory except at low combustion pressures and/or high ratios of seed/oxygen mass flows. To corroborate these measurements and to analyze the possibility of nonuniform seed injection as a cause of the above deviations, a spectroscopic investigation of the plasma conductivity was undertaken. Radial profiles of emission coefficient were obtained from measured transverse profiles of the absolute integrated intensity by Abel inversion. Radial profiles of electrical conductivity were then obtained under two different assumptions. In the first the Cs seed fraction is assumed uniform and equal to the measured flow rate at the time when the temperature and conductivity were obtained. In the second method the local temperature and pressure are taken to be those given by a one-dimensional channel calculation including heat transfer and friction. The results of the two methods are compared to the previously measured conductivity.

  4. Absolute calibration of ultraviolet filter photometry

    NASA Technical Reports Server (NTRS)

    Bless, R. C.; Fairchild, T.; Code, A. D.

    1972-01-01

    The essential features of the calibration procedure can be divided into three parts. First, the shape of the bandpass of each photometer was determined by measuring the transmissions of the individual optical components and also by measuring the response of the photometer as a whole. Secondly, each photometer was placed in the essentially-collimated synchrotron radiation bundle maintained at a constant intensity level, and the output signal was determined from about 100 points on the objective. Finally, two or three points on the objective were illuminated by synchrotron radiation at several different intensity levels covering the dynamic range of the photometers. The output signals were placed on an absolute basis by the electron counting technique described earlier.

  5. Absolute measurements of fast neutrons using yttrium

    SciTech Connect

    Roshan, M. V.; Springham, S. V.; Rawat, R. S.; Lee, P.; Krishnan, M.

    2010-08-15

    Yttrium is presented as an absolute neutron detector for pulsed neutron sources. It has high sensitivity for detecting fast neutrons. Yttrium has the property of generating a monoenergetic secondary radiation in the form of a 909 keV gamma-ray caused by inelastic neutron interaction. It was calibrated numerically using MCNPX and does not need periodic recalibration. The total yttrium efficiency for detecting 2.45 MeV neutrons was determined to be f{sub n}{approx}4.1x10{sup -4} with an uncertainty of about 0.27%. The yttrium detector was employed in the NX2 plasma focus experiments and showed the neutron yield of the order of 10{sup 8} neutrons per discharge.

  6. Absolute Measurement of Electron Cloud Density

    SciTech Connect

    Covo, M K; Molvik, A W; Cohen, R H; Friedman, A; Seidl, P A; Logan, G; Bieniosek, F; Baca, D; Vay, J; Orlando, E; Vujic, J L

    2007-06-21

    Beam interaction with background gas and walls produces ubiquitous clouds of stray electrons that frequently limit the performance of particle accelerator and storage rings. Counterintuitively we obtained the electron cloud accumulation by measuring the expelled ions that are originated from the beam-background gas interaction, rather than by measuring electrons that reach the walls. The kinetic ion energy measured with a retarding field analyzer (RFA) maps the depressed beam space-charge potential and provides the dynamic electron cloud density. Clearing electrode current measurements give the static electron cloud background that complements and corroborates with the RFA measurements, providing an absolute measurement of electron cloud density during a 5 {micro}s duration beam pulse in a drift region of the magnetic transport section of the High-Current Experiment (HCX) at LBNL.

  7. Micron Accurate Absolute Ranging System: Range Extension

    NASA Technical Reports Server (NTRS)

    Smalley, Larry L.; Smith, Kely L.

    1999-01-01

    The purpose of this research is to investigate Fresnel diffraction as a means of obtaining absolute distance measurements with micron or greater accuracy. It is believed that such a system would prove useful to the Next Generation Space Telescope (NGST) as a non-intrusive, non-contact measuring system for use with secondary concentrator station-keeping systems. The present research attempts to validate past experiments and develop ways to apply the phenomena of Fresnel diffraction to micron accurate measurement. This report discusses past research on the phenomena, and the basis of the use Fresnel diffraction distance metrology. The apparatus used in the recent investigations, experimental procedures used, preliminary results are discussed in detail. Continued research and equipment requirements on the extension of the effective range of the Fresnel diffraction systems is also described.

  8. Absolute calibration of remote sensing instruments

    NASA Astrophysics Data System (ADS)

    Biggar, S. F.; Bruegge, C. J.; Capron, B. A.; Castle, K. R.; Dinguirard, M. C.; Holm, R. G.; Lingg, L. J.; Mao, Y.; Palmer, J. M.; Phillips, A. L.

    1985-12-01

    Source-based and detector-based methods for the absolute radiometric calibration of a broadband field radiometer are described. Using such a radiometer, calibrated by both methods, the calibration of the integrating sphere used in the preflight calibration of the Thematic Mapper was redetermined. The results are presented. The in-flight calibration of space remote sensing instruments is discussed. A method which uses the results of ground-based reflectance and atmospheric measurements as input to a radiative transfer code to predict the radiance at the instrument is described. A calibrated, helicopter-mounted radiometer is used to determine the radiance levels at intermediate altitudes to check the code predictions. Results of such measurements for the calibration of the Thematic Mapper on Landsat 5 and an analysis that shows the value of such measurements are described.

  9. Absolute radiometric calibration of the Thematic Mapper

    NASA Technical Reports Server (NTRS)

    Slater, P. N.; Biggar, S. F.; Holm, R. G.; Jackson, R. D.; Mao, Y.

    1986-01-01

    Calibration data for the solar reflective bands of the Landsat-5 TM obtained from five in-flight absolute radiometric calibrations from July 1984-November 1985 at White Sands, New Mexico are presented and analyzed. Ground reflectance and atmospheric data were utilized to predict the spectral radiance at the entrance pupil of the TM and the average number of digital counts in each TM band. The calibration of each of the TM solar reflective bands was calculated in terms of average digital counts/unit spectral radiance for each band. It is observed that for the 12 reflectance-based measurements the rms variation from the means as a percentage of the mean is + or - 1.9 percent; for the 11 measurements in the IR bands, it is + or - 3.4 percent; and the rms variation for all 23 measurements is + or - 2.8 percent.

  10. MAGSAT: Vector magnetometer absolute sensor alignment determination

    NASA Technical Reports Server (NTRS)

    Acuna, M. H.

    1981-01-01

    A procedure is described for accurately determining the absolute alignment of the magnetic axes of a triaxial magnetometer sensor with respect to an external, fixed, reference coordinate system. The method does not require that the magnetic field vector orientation, as generated by a triaxial calibration coil system, be known to better than a few degrees from its true position, and minimizes the number of positions through which a sensor assembly must be rotated to obtain a solution. Computer simulations show that accuracies of better than 0.4 seconds of arc can be achieved under typical test conditions associated with existing magnetic test facilities. The basic approach is similar in nature to that presented by McPherron and Snare (1978) except that only three sensor positions are required and the system of equations to be solved is considerably simplified. Applications of the method to the case of the MAGSAT Vector Magnetometer are presented and the problems encountered discussed.

  11. Evaluation of the difference in the rate coefficients of F2 + NOx (x = 1 or 2) → F + FNOx by the stereochemical arrangement using the density functional theory.

    PubMed

    Tajima, Satomi; Hayashi, Toshio; Hori, Masaru

    2015-02-26

    The rate coefficient of F2 + NO → F + FNO is 2 to 5 orders of magnitude higher than that of F2 + NO2 → F + FNO2 even though bond energies of FNO and FNO2 only differ by ∼0.2 eV. To understand the cause of having different rate coefficients of these two reactions, the change in total energies was calculated by varying the stereochemical arrangement of F2 with respect to NOx (x = 1 or 2) by the density functional theory (DFT), using CAM-B3LYP/6-311 G+(d) in the Gaussian program. The permitted approaching angle between the x-axis and the plane consisting of O, N, F, and ϕ plays a key role to restrict the reaction of NO2 and F2 compared to the reaction of NO and F2. This restriction in the reaction space is considered to be the main cause of different rate coefficients depending on the selection of x = 1 or 2 of the reaction of F2 + NOx → F + FNOx, which was also confirmed by the difference in Si etch rate using the F formed by those reactions. PMID:25599135

  12. Evaluation of the difference in the rate coefficients of F2 + NOx (x = 1 or 2) → F + FNOx by the stereochemical arrangement using the density functional theory.

    PubMed

    Tajima, Satomi; Hayashi, Toshio; Hori, Masaru

    2015-02-26

    The rate coefficient of F2 + NO → F + FNO is 2 to 5 orders of magnitude higher than that of F2 + NO2 → F + FNO2 even though bond energies of FNO and FNO2 only differ by ∼0.2 eV. To understand the cause of having different rate coefficients of these two reactions, the change in total energies was calculated by varying the stereochemical arrangement of F2 with respect to NOx (x = 1 or 2) by the density functional theory (DFT), using CAM-B3LYP/6-311 G+(d) in the Gaussian program. The permitted approaching angle between the x-axis and the plane consisting of O, N, F, and ϕ plays a key role to restrict the reaction of NO2 and F2 compared to the reaction of NO and F2. This restriction in the reaction space is considered to be the main cause of different rate coefficients depending on the selection of x = 1 or 2 of the reaction of F2 + NOx → F + FNOx, which was also confirmed by the difference in Si etch rate using the F formed by those reactions.

  13. Effects of reinforcer rate and reinforcer quality on time allocation: Extensions of matching theory to educational settings.

    PubMed

    Neef, N A

    1992-01-01

    We examined how 3 special education students allocated their responding across two concurrently available tasks associated with unequal rates and equal versus unequal qualities of reinforcement. The students completed math problems from two alternative sets on concurrent variable-interval (VI) 30-s VI 120-s schedules of reinforcement. During the equal-quality reinforcer condition, high-quality (nickels) and low-quality items ("program money" in the school's token economy) were alternated across sessions as the reinforcer for both sets of problems. During the unequal-quality reinforcer condition, the low-quality reinforcer was used for the set of problems on the VI 30-s schedule, and the high-quality reinforcer was used for the set of problems on the VI 120-s schedule. Equal- and unequal-quality reinforcer conditions were alternated using a reversal design. Results showed that sensitivity to the features of the VI reinforcement schedules developed only after the reinforcement intervals were signaled through countdown timers. Thereafter, when reinforcer quality was equal, the time allocated to concurrent response alternatives was approximately proportional to obtained reinforcement, as predicted by the matching law. However the matching relation was disrupted when, as occurs in most natural choice situations, the quality of the reinforcers differed across the response options.

  14. Frequency sweep rates of rising tone electromagnetic ion cyclotron waves: Comparison between nonlinear theory and Cluster observation

    SciTech Connect

    He, Zhaoguo; Zong, Qiugang Wang, Yongfu; Liu, Siqing; Lin, Ruilin; Shi, Liqin

    2014-12-15

    Resonant pitch angle scattering by electromagnetic ion cyclotron (EMIC) waves has been suggested to account for the rapid loss of ring current ions and radiation belt electrons. For the rising tone EMIC wave (classified as triggered EMIC emission), its frequency sweep rate strongly affects the efficiency of pitch-angle scattering. Based on the Cluster observations, we analyze three typical cases of rising tone EMIC waves. Two cases locate at the nightside (22.3 and 22.6 magnetic local time (MLT)) equatorial region and one case locates at the duskside (18MLT) higher magnetic latitude (λ = –9.3°) region. For the three cases, the time-dependent wave amplitude, cold electron density, and cold ion density ratio are derived from satellite data; while the ambient magnetic field, thermal proton perpendicular temperature, and the wave spectral can be directly provided by observation. These parameters are input into the nonlinear wave growth model to simulate the time-frequency evolutions of the rising tones. The simulated results show good agreements with the observations of the rising tones, providing further support for the previous finding that the rising tone EMIC wave is excited through the nonlinear wave growth process.

  15. An effective rate equation approach to reaction kinetics in small volumes: Theory and application to biochemical reactions in nonequilibrium steady-state conditions

    NASA Astrophysics Data System (ADS)

    Grima, R.

    2010-07-01

    parameter space in which there are maximum differences between the solutions of the master equation and the corresponding rate equations. We show that these differences depend sensitively on the Fano factors and on the inherent structure and topology of the chemical network. The theory of effective mesoscopic rate equations generalizes the conventional rate equations of physical chemistry to describe kinetics in systems of mesoscopic size such as biological cells.

  16. An effective rate equation approach to reaction kinetics in small volumes: theory and application to biochemical reactions in nonequilibrium steady-state conditions.

    PubMed

    Grima, R

    2010-07-21

    regions of parameter space in which there are maximum differences between the solutions of the master equation and the corresponding rate equations. We show that these differences depend sensitively on the Fano factors and on the inherent structure and topology of the chemical network. The theory of effective mesoscopic rate equations generalizes the conventional rate equations of physical chemistry to describe kinetics in systems of mesoscopic size such as biological cells.

  17. Intracellular ice formation in mouse zygotes and early morulae vs. cooling rate and temperature-experimental vs. theory.

    PubMed

    Jin, Bo; Seki, Shinsuke; Paredes, Estefania; Qiu, Juan; Shi, Yanbin; Zhang, Zhenqiang; Ma, Chao; Jiang, Shuyan; Li, Jiaqi; Yuan, Feng; Wang, Shu; Shao, Xiaoguang; Mazur, Peter

    2016-10-01

    In this study, mature female mice of the ICR strain were induced to superovultate, mated, and collected at either zygote or early morula stages. Embryos suspended in 1 M ethylene glycol in PBS containing 10 mg/L Snomax for 15 min, then transferred in sample holder to Linkam cryostage, cooled to and seeded at 7 °C, and then observed and photographed while being cooled to -70 °C at 0.5-20 °C/min. Intracellular ice formation (IIF) was observed as abrupt ''flashing''. Two types of flashing or IIF were observed in this study. Extracellular freezing occurred at a mean of -7.7 °C. In morulae, about 25% turned dark within ±1 °C of extracellular ice formation (EIF). These we refer to as "high temperature'' flashers. In zygotes, there were no high temperature flashers. All the zygotes flashed at temperatures well below the temperature for EIF. Presumably high temperature flashers were a consequence of membrane damage prior to EIF or damage from EIF. We shall not discuss them further. In the majority of cases, IIF occurred well below -7.7 °C; these we call ''low temperature'' flashers. None flashed with cooling rate (CR) of 0.5 °C/min in either zygotes or morulae. Nearly all flashed with CR of 4 °C/min or higher, but the distribution of temperatures is much broader with morulae than with zygotes. Also, the mean flashing temperature is much higher with morulae (-20.9 °C) than with zygotes (-40.3 °C). We computed the kinetics of water loss with respect to CR and temperature in both mouse zygotes and in morulae based on published estimates of Lp and it is Ea. The resulting dehydration curves combined with knowledge of the embryo nucleation temperature permits an estimate of the likelihood of IIF as a function of CR and subzero temperature. The agreement between these computed probabilities and the observed values are good. PMID:27481511

  18. Absolute measurement of the ultrafast nonlinear electronic and rovibrational response in H2 and D2

    NASA Astrophysics Data System (ADS)

    Wahlstrand, J. K.; Zahedpour, S.; Cheng, Y.-H.; Palastro, J. P.; Milchberg, H. M.

    2015-12-01

    The electronic, rotational, and vibrational components of the ultrafast optical nonlinearity in H2 and D2 are measured directly and absolutely at intensities up to the ionization threshold of ˜1014W/cm 2 . As the most basic nonlinear interactions of the simplest molecules exposed to high fields, these results constitute a benchmark for high-field laser-matter theory and simulation.

  19. Primacy and frequency effects in absolute judgments of visual velocity.

    PubMed

    Sokolov, A; Pavlova, M; Ehrenstein, W H

    2000-07-01

    In absolute judgment tasks, identical stimuli are rated higher (or lower) when presented in a series of more frequent small (or large) stimuli. Using visual stimuli differing in velocity, we show that this conventional frequency effect is largely modulated by the primacy effect--that is, by the stimuli occurring on the early trials of a run. In Experiment 1, a frequency-like primacy effect was obtained with equal-frequent velocities. Identical velocities were rated faster when mainly slow rather than fast ones occurred on initial trials. In Experiment 2, we contrasted the frequency effect and the primacy effect: In runs with frequent slow velocities, mainly fast ones occurred earlier, whereas in runs with infrequent slow velocities, mainly slow ones did so. Lack of differences of ratings in the two conditions suggests that the two effects canceled each other. In Experiment 3, when mainly frequent velocities occurred earlier, the conventional frequency effect was obtained. We conclude that the conventional frequency effect represents a combination of the primacy effect and the pure frequency effect.

  20. Application of the Zero-Order Reaction Rate Model and Transition State Theory to predict porous Ti6Al4V bending strength.

    PubMed

    Reig, L; Amigó, V; Busquets, D; Calero, J A; Ortiz, J L

    2012-08-01

    Porous Ti6Al4V samples were produced by microsphere sintering. The Zero-Order Reaction Rate Model and Transition State Theory were used to model the sintering process and to estimate the bending strength of the porous samples developed. The evolution of the surface area during the sintering process was used to obtain sintering parameters (sintering constant, activation energy, frequency factor, constant of activation and Gibbs energy of activation). These were then correlated with the bending strength in order to obtain a simple model with which to estimate the evolution of the bending strength of the samples when the sintering temperature and time are modified: σY=P+B·[lnT·t-ΔGa/R·T]. Although the sintering parameters were obtained only for the microsphere sizes analysed here, the strength of intermediate sizes could easily be estimated following this model. PMID:24364968

  1. Application of the Zero-Order Reaction Rate Model and Transition State Theory to predict porous Ti6Al4V bending strength.

    PubMed

    Reig, L; Amigó, V; Busquets, D; Calero, J A; Ortiz, J L

    2012-08-01

    Porous Ti6Al4V samples were produced by microsphere sintering. The Zero-Order Reaction Rate Model and Transition State Theory were used to model the sintering process and to estimate the bending strength of the porous samples developed. The evolution of the surface area during the sintering process was used to obtain sintering parameters (sintering constant, activation energy, frequency factor, constant of activation and Gibbs energy of activation). These were then correlated with the bending strength in order to obtain a simple model with which to estimate the evolution of the bending strength of the samples when the sintering temperature and time are modified: σY=P+B·[lnT·t-ΔGa/R·T]. Although the sintering parameters were obtained only for the microsphere sizes analysed here, the strength of intermediate sizes could easily be estimated following this model.

  2. On the absolute alignment of GONG images

    NASA Astrophysics Data System (ADS)

    Toner, C. G.

    2001-01-01

    In order to combine data from the six instruments in the GONG network the alignment of all of the images must be known to a fairly high precision (~0°.1 for GONG Classic and ~0°.01 for GONG+). The relative orientation is obtained using the angular cross-correlation method described by (Toner & Harvey, 1998). To obtain the absolute orientation the Project periodically records a day of drift scans, where the image of the Sun is allowed to drift across the CCD repeatedly throughout the day. These data are then analyzed to deduce the direction of Terrestrial East-West as a function of hour angle (i.e., time) for that instrument. The transit of Mercury on Nov. 15, 1999, which was recorded by three of the GONG instruments, provided an independent check on the current alignment procedures. Here we present a comparison of the alignment of GONG images as deduced from both drift scans and the Mercury transit for two GONG sites: Tucson (GONG+ camera) and Mauna Loa (GONG Classic camera). The agreement is within ~0°.01 for both cameras, however, the scatter is substantially larger for GONG Classic: ~0°.03 compared to ~0°.01 for GONG+.

  3. Climate Absolute Radiance and Refractivity Observatory (CLARREO)

    NASA Technical Reports Server (NTRS)

    Leckey, John P.

    2015-01-01

    The Climate Absolute Radiance and Refractivity Observatory (CLARREO) is a mission, led and developed by NASA, that will measure a variety of climate variables with an unprecedented accuracy to quantify and attribute climate change. CLARREO consists of three separate instruments: an infrared (IR) spectrometer, a reflected solar (RS) spectrometer, and a radio occultation (RO) instrument. The mission will contain orbiting radiometers with sufficient accuracy, including on orbit verification, to calibrate other space-based instrumentation, increasing their respective accuracy by as much as an order of magnitude. The IR spectrometer is a Fourier Transform spectrometer (FTS) working in the 5 to 50 microns wavelength region with a goal of 0.1 K (k = 3) accuracy. The FTS will achieve this accuracy using phase change cells to verify thermistor accuracy and heated halos to verify blackbody emissivity, both on orbit. The RS spectrometer will measure the reflectance of the atmosphere in the 0.32 to 2.3 microns wavelength region with an accuracy of 0.3% (k = 2). The status of the instrumentation packages and potential mission options will be presented.

  4. Absolute flux measurements for swift atoms

    NASA Technical Reports Server (NTRS)

    Fink, M.; Kohl, D. A.; Keto, J. W.; Antoniewicz, P.

    1987-01-01

    While a torsion balance in vacuum can easily measure the momentum transfer from a gas beam impinging on a surface attached to the balance, this measurement depends on the accommodation coefficients of the atoms with the surface and the distribution of the recoil. A torsion balance is described for making absolute flux measurements independent of recoil effects. The torsion balance is a conventional taut suspension wire design and the Young modulus of the wire determines the relationship between the displacement and the applied torque. A compensating magnetic field is applied to maintain zero displacement and provide critical damping. The unique feature is to couple the impinging gas beam to the torsion balance via a Wood's horn, i.e., a thin wall tube with a gradual 90 deg bend. Just as light is trapped in a Wood's horn by specular reflection from the curved surfaces, the gas beam diffuses through the tube. Instead of trapping the beam, the end of the tube is open so that the atoms exit the tube at 90 deg to their original direction. Therefore, all of the forward momentum of the gas beam is transferred to the torsion balance independent of the angle of reflection from the surfaces inside the tube.

  5. Gyrokinetic Statistical Absolute Equilibrium and Turbulence

    SciTech Connect

    Jian-Zhou Zhu and Gregory W. Hammett

    2011-01-10

    A paradigm based on the absolute equilibrium of Galerkin-truncated inviscid systems to aid in understanding turbulence [T.-D. Lee, "On some statistical properties of hydrodynamical and magnetohydrodynamical fields," Q. Appl. Math. 10, 69 (1952)] is taken to study gyrokinetic plasma turbulence: A finite set of Fourier modes of the collisionless gyrokinetic equations are kept and the statistical equilibria are calculated; possible implications for plasma turbulence in various situations are discussed. For the case of two spatial and one velocity dimension, in the calculation with discretization also of velocity v with N grid points (where N + 1 quantities are conserved, corresponding to an energy invariant and N entropy-related invariants), the negative temperature states, corresponding to the condensation of the generalized energy into the lowest modes, are found. This indicates a generic feature of inverse energy cascade. Comparisons are made with some classical results, such as those of Charney-Hasegawa-Mima in the cold-ion limit. There is a universal shape for statistical equilibrium of gyrokinetics in three spatial and two velocity dimensions with just one conserved quantity. Possible physical relevance to turbulence, such as ITG zonal flows, and to a critical balance hypothesis are also discussed.

  6. Swarm Absolute Scalar Magnetometers first in-orbit results

    NASA Astrophysics Data System (ADS)

    Fratter, Isabelle; Léger, Jean-Michel; Bertrand, François; Jager, Thomas; Hulot, Gauthier; Brocco, Laura; Vigneron, Pierre

    2016-04-01

    The ESA Swarm mission will provide the best ever survey of the Earth's magnetic field and its temporal evolution. This will be achieved by a constellation of three identical satellites, launched together on the 22nd of November 2013. In order to observe the magnetic field thoroughly, each satellite carries two magnetometers: a Vector Field Magnetometer (VFM) coupled with a star tracker camera, to measure the direction of the magnetic field in space, and an Absolute Scalar Magnetometer (ASM), to measure its intensity. The ASM is the French contribution to the Swarm mission. This new generation instrument was designed by CEA-Leti and developed in close partnership with CNES, with scientific support from IPGP. Its operating principle is based on the atomic spectroscopy of the helium 4 metastable state. It makes use of the Zeeman's effect to transduce the magnetic field into a frequency, the signal being amplified by optical pumping. The primary role of the ASM is to provide absolute measurements of the magnetic field's strength at 1 Hz, for the in-flight calibration of the VFM. As the Swarm magnetic reference, the ASM scalar performance is crucial for the mission's success. Thanks to its innovative design, the ASM offers the best precision, resolution and absolute accuracy ever attained in space, with similar performance all along the orbit. In addition, thanks to an original architecture, the ASM implements on an experimental basis a capacity for providing simultaneously vector measurements at 1 Hz. This new feature makes it the first instrument capable of delivering both scalar and vector measurements simultaneously at the same point. Swarm offers a unique opportunity to validate the ASM vector data in orbit by comparison with the VFM's. Furthermore, the ASM can provide scalar data at a much higher sampling rate, when run in "burst" mode at 250 Hz, with a 100 Hz measurement bandwidth. An analysis of the spectral content of the magnetic field above 1 Hz becomes thus

  7. Heats of formation of t-butyl peroxy radical and t-butyl diazyl ion: RRKM vs SSACM rate theories in systems with kinetic and competitive shifts.

    PubMed

    Shuman, Nicholas S; Bodi, Andras; Baer, Tomas

    2010-01-14

    The dissociations of energy-selected di-t-butyl peroxide and di-t-butyl diazene ions have been studied by threshold photoelectron-photoion coincidence (TPEPICO) spectroscopy. Di-t-butyl peroxide ions dissociate via two parallel channels: (1) methyl loss at a 0 K onset (E0) of 9.58 +/- 0.04 eV followed by a sequential dissociation of the daughter ion to produce C4H9O+ and acetone; and (2) the dominant dissociation channel, producing t-butyl ion and t-butyl peroxy radical at an E0 of 9.758 +/- 0.020 eV. Di-t-butyl diazene ions dissociate through three parallel channels: (1) a rearrangement to form isobutene ion; (2) C-N bond cleavage with the charge staying on the t-butyl diazyl species (E0 = 8.069 +/- 0.050 eV); and (3) C-N bond cleavage with the charge instead on the t-butyl (E0 = 8.122 +/- 0.050 eV); the coproduct for this latter channel is a weakly, or possibly unbound, N2...t-butyl structure. Both the peroxide and diazene ion dissociations produce metastable daughters, and the dissociation rates are modeled with two rate theories: the Rice-Ramsperger-Kassel-Marcus (RRKM) theory and a simplified version of the statistical adiabatic channel model (SSACM). Due to a large kinetic shift, RRKM incorrectly models the peroxide ion rate curve. Using SSACM, the heat of formation of t-butyl peroxy radical is determined to be DeltaH0Kdegrees = - 81.1 +/- 3.9 kJ mol-1, and, using B3LYP/6-311++G(d,p) thermal energy, DeltaH298Kdegrees = - 109.7 +/- 3.9 kJ mol-1. Due to a competitive shift of the higher energy channel onsets, RRKM also incorrectly models the diazene rate curves. The 298 K heat of formation of the t-butyl diazyl ion, which is bound by 14 kJ mol-1, is determined to be 701.2 +/- 5.9 kJ mol-1.

  8. Issues in Absolute Spectral Radiometric Calibration: Intercomparison of Eight Sources

    NASA Technical Reports Server (NTRS)

    Goetz, Alexander F. H.; Kindel, Bruce; Pilewskie, Peter

    1998-01-01

    The application of atmospheric models to AVIRIS and other spectral imaging data to derive surface reflectance requires that the sensor output be calibrated to absolute radiance. Uncertainties in absolute calibration are to be expected, and claims of 92% accuracy have been published. Measurements of accurate surface albedos and cloud absorption to be used in radiative balance calculations depend critically on knowing the absolute spectral-radiometric response of the sensor. The Earth Observing System project is implementing a rigorous program of absolute radiometric calibration for all optical sensors. Since a number of imaging instruments that provide output in terms of absolute radiance are calibrated at different sites, it is important to determine the errors that can be expected among calibration sites. Another question exists about the errors in the absolute knowledge of the exoatmospheric spectral solar irradiance.

  9. Absolute nuclear material assay using count distribution (LAMBDA) space

    SciTech Connect

    Prasad, Mano K.; Snyderman, Neal J.; Rowland, Mark S.

    2015-12-01

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  10. Absolute nuclear material assay using count distribution (LAMBDA) space

    DOEpatents

    Prasad, Manoj K.; Snyderman, Neal J.; Rowland, Mark S.

    2012-06-05

    A method of absolute nuclear material assay of an unknown source comprising counting neutrons from the unknown source and providing an absolute nuclear material assay utilizing a model to optimally compare to the measured count distributions. In one embodiment, the step of providing an absolute nuclear material assay comprises utilizing a random sampling of analytically computed fission chain distributions to generate a continuous time-evolving sequence of event-counts by spreading the fission chain distribution in time.

  11. Antifungal activity of tuberose absolute and some of its constituents.

    PubMed

    Nidiry, Eugene Sebastian J; Babu, C S Bujji

    2005-05-01

    The antifungal activity of the absolute of tuberose (Polianthes tuberosa ) and some of its constituents were evaluated against the mycelial growth of Colletotrichum gloeosporioides on potato-dextrose-agar medium. Tuberose absolute showed only mild activity at a concentration of 500 mg/L. However, three constituents present in the absolute, namely geraniol, indole and methyl anthranilate exhibited significant activity showing total inhibition of the mycelial growth at this concentration.

  12. Kinetics of solute adsorption at solid/solution interfaces: a theoretical development of the empirical pseudo-first and pseudo-second order kinetic rate equations, based on applying the statistical rate theory of interfacial transport.

    PubMed

    Rudzinski, Wladyslaw; Plazinski, Wojciech

    2006-08-24

    For practical applications of solid/solution adsorption processes, the kinetics of these processes is at least as much essential as their features at equilibrium. Meanwhile, the general understanding of this kinetics and its corresponding theoretical description are far behind the understanding and the level of theoretical interpretation of adsorption equilibria in these systems. The Lagergren empirical equation proposed at the end of 19th century to describe the kinetics of solute sorption at the solid/solution interfaces has been the most widely used kinetic equation until now. This equation has also been called the pseudo-first order kinetic equation because it was intuitively associated with the model of one-site occupancy adsorption kinetics governed by the rate of surface reaction. More recently, its generalization for the two-sites-occupancy adsorption was proposed and called the pseudo-second-order kinetic equation. However, the general use and the wide applicability of these empirical equations during more than one century have not resulted in a corresponding fundamental search for their theoretical origin. Here the first theoretical development of these equations is proposed, based on applying the new fundamental approach to kinetics of interfacial transport called the Statistical Rate Theory. It is shown that these empirical equations are simplified forms of a more general equation developed here, for the case when the adsorption kinetics is governed by the rate of surface reactions. The features of that general equation are shown by presenting exhaustive model investigations, and the applicability of that equation is tested by presenting a quantitative analysis of some experimental data reported in the literature.

  13. The absolute disparity anomaly and the mechanism of relative disparities.

    PubMed

    Chopin, Adrien; Levi, Dennis; Knill, David; Bavelier, Daphne

    2016-06-01

    There has been a long-standing debate about the mechanisms underlying the perception of stereoscopic depth and the computation of the relative disparities that it relies on. Relative disparities between visual objects could be computed in two ways: (a) using the difference in the object's absolute disparities (Hypothesis 1) or (b) using relative disparities based on the differences in the monocular separations between objects (Hypothesis 2). To differentiate between these hypotheses, we measured stereoscopic discrimination thresholds for lines with different absolute and relative disparities. Participants were asked to judge the depth of two lines presented at the same distance from the fixation plane (absolute disparity) or the depth between two lines presented at different distances (relative disparity). We used a single stimulus method involving a unique memory component for both conditions, and no extraneous references were available. We also measured vergence noise using Nonius lines. Stereo thresholds were substantially worse for absolute disparities than for relative disparities, and the difference could not be explained by vergence noise. We attribute this difference to an absence of conscious readout of absolute disparities, termed the absolute disparity anomaly. We further show that the pattern of correlations between vergence noise and absolute and relative disparity acuities can be explained jointly by the existence of the absolute disparity anomaly and by the assumption that relative disparity information is computed from absolute disparities (Hypothesis 1).

  14. The absolute disparity anomaly and the mechanism of relative disparities

    PubMed Central

    Chopin, Adrien; Levi, Dennis; Knill, David; Bavelier, Daphne

    2016-01-01

    There has been a long-standing debate about the mechanisms underlying the perception of stereoscopic depth and the computation of the relative disparities that it relies on. Relative disparities between visual objects could be computed in two ways: (a) using the difference in the object's absolute disparities (Hypothesis 1) or (b) using relative disparities based on the differences in the monocular separations between objects (Hypothesis 2). To differentiate between these hypotheses, we measured stereoscopic discrimination thresholds for lines with different absolute and relative disparities. Participants were asked to judge the depth of two lines presented at the same distance from the fixation plane (absolute disparity) or the depth between two lines presented at different distances (relative disparity). We used a single stimulus method involving a unique memory component for both conditions, and no extraneous references were available. We also measured vergence noise using Nonius lines. Stereo thresholds were substantially worse for absolute disparities than for relative disparities, and the difference could not be explained by vergence noise. We attribute this difference to an absence of conscious readout of absolute disparities, termed the absolute disparity anomaly. We further show that the pattern of correlations between vergence noise and absolute and relative disparity acuities can be explained jointly by the existence of the absolute disparity anomaly and by the assumption that relative disparity information is computed from absolute disparities (Hypothesis 1). PMID:27248566

  15. Alignment and absolute wavelength calibration of imaging Bragg spectrometers

    NASA Astrophysics Data System (ADS)

    Bertschinger, G.; Marchuk, O.; Barnsley, R.

    2016-11-01

    In the present and the next generation of fusion devices, imaging Bragg spectrometers are key diagnostics to measure plasma parameters in the hot core, especially ion temperature and plasma rotation. The latter quantities are routinely obtained using the Doppler-width and -shift of the emitted spectral lines, respectively. Line shift measurements require absolute accuracies Δλ/λ of about 10 ppm, where λ-is the observed wavelength. For ITER and the present fusion devices, spectral lines of He-and H-like argon, iron, and krypton as well as Ne-like tungsten are foreseen for the measurements. For these lines, Kα lines can be found, some in higher order, which fit into the narrow energy window of the spectrometers. For arbitrary wavelength settings, Kα lines are also used to measure the miscut of the spherical crystals; afterwards the spectrometers can be set according to the geometrical imaging properties using coordinate measurement machines. For the spectrometers measuring Lyα lines of H-like ions, fluorescence targets can provide in situ localized calibration lines on the spectra. The fluorescence targets are used best in transmission and are excited by the thermal x-ray radiation of the plasma. An analytic theory of fluorescence is worked out.

  16. Absolute measurement of dielectronic recombination for C{sup 3+} in a known external field

    SciTech Connect

    Savin, D.W.; Gardner, L.D.; Reisenfeld, D.B.; Young, A.R.; Kohl, J.L.

    1996-01-01

    An absolute measurement of the rate coefficient for dielectronic recombination (DR) of C{sup 3+}, via the 2{ital s}-2{ital p} core excitation, in an external electric field of 11.4{plus_minus}0.9(1{sigma}) Vcm{sup {minus}1} is presented. An inclined-beam arrangement is used and the stabilizing photons at {approximately}155 nm are detected in delayed coincidence with the recombined ions. The full width at half maximum of the electron energy spread in the ion rest frame is 1.74{plus_minus}0.22(1{sigma}) eV. The measured DR rate, at a mean electron energy of 8.26{plus_minus}0.07(1{sigma}) eV, is (2.76{plus_minus}0.75){times}10{sup {minus}10} cm{sup 3}s{sup {minus}1}. The uncertainty quoted for the DR rate is the total uncertainty, systematic and statistical, at the 1{sigma} level. In comparing the present results to theory, a semiempirical formula is used to determine which recombined ion states are ionized by the 4.65 kVcm{sup {minus}1} fields in the final-charge-state analyzer and not detected. For the present results, any DR of the incident electrons into {ital n} levels greater than 44 is assumed to be field ionized in the final-charge-state analyzer. A more precise treatment of field ionization, which includes the lifetime of the C{sup 2+} ions before they are ionized and the time evolution and rotation of the fields experienced by the recombined ions, is needed before a definitive comparison between experiment and theory can be made. Our DR measurement, within the limits of that approach, agrees reasonably well with an intermediate coupling calculation that uses an isolated resonance, single-configuration approximation, but does not agree with pure {ital LS}-coupling calculations. {copyright} {ital 1996 The American Physical Society.}

  17. A test of the formal and modern theories of matching.

    PubMed

    Dallery, Jesse; Soto, Paul L; McDowell, J J

    2005-09-01

    The present study tested a formal, or purely mathematical, theory of matching, and a modern account derived by McDowell (1986) that incorporates deviations from strict matching-bias and sensitivity. Six humans pressed a lever for monetary reinforcers on five concurrent variable interval (VI) schedules of reinforcement. All schedules were presented during each session. The magnitude on one alternative remained constant, and five magnitudes were presented across sessions on the other alternative. To test the formal account, two absolute response rate equations were fitted to the response and reinforcement rates at each alternative at each magnitude. Although the equations accounted for a high percentage of variance, there was a significant negative correlation between the standardized residuals and the predicted response rates. To test the modern account, an ensemble of four equations was fitted to the data. The equations predicted relative and absolute responding, and the independent variables in each equation were adjusted for bias and sensitivity. The equations accounted for a high percentage of variance, and the standardized residuals were not correlated with the predicted response rates. The values of the parameters were consistent with empirical findings and theoretical predictions, including the prediction that k should remain constant across changes in reinforcer magnitude. The results suggest that the formal theory of matching does not describe the data, and that the modern theory may provide an accurate and coherent description of concurrent and single-alternative responding.

  18. Absolute Plate Velocities from Seismic Anisotropy

    NASA Astrophysics Data System (ADS)

    Kreemer, Corné; Zheng, Lin; Gordon, Richard

    2015-04-01

    The orientation of seismic anisotropy inferred beneath plate interiors may provide a means to estimate the motions of the plate relative to the sub-asthenospheric mantle. Here we analyze two global sets of shear-wave splitting data, that of Kreemer [2009] and an updated and expanded data set, to estimate plate motions and to better understand the dispersion of the data, correlations in the errors, and their relation to plate speed. We also explore the effect of using geologically current plate velocities (i.e., the MORVEL set of angular velocities [DeMets et al. 2010]) compared with geodetically current plate velocities (i.e., the GSRM v1.2 angular velocities [Kreemer et al. 2014]). We demonstrate that the errors in plate motion azimuths inferred from shear-wave splitting beneath any one tectonic plate are correlated with the errors of other azimuths from the same plate. To account for these correlations, we adopt a two-tier analysis: First, find the pole of rotation and confidence limits for each plate individually. Second, solve for the best fit to these poles while constraining relative plate angular velocities to consistency with the MORVEL relative plate angular velocities. The SKS-MORVEL absolute plate angular velocities (based on the Kreemer [2009] data set) are determined from the poles from eight plates weighted proportionally to the root-mean-square velocity of each plate. SKS-MORVEL indicates that eight plates (Amur, Antarctica, Caribbean, Eurasia, Lwandle, Somalia, Sundaland, and Yangtze) have angular velocities that differ insignificantly from zero. The net rotation of the lithosphere is 0.25±0.11° Ma-1 (95% confidence limits) right-handed about 57.1°S, 68.6°E. The within-plate dispersion of seismic anisotropy for oceanic lithosphere (σ=19.2° ) differs insignificantly from that for continental lithosphere (σ=21.6° ). The between-plate dispersion, however, is significantly smaller for oceanic lithosphere (σ=7.4° ) than for continental

  19. Evaluation of the Absolute Regional Temperature Potential

    NASA Technical Reports Server (NTRS)

    Shindell, D. T.

    2012-01-01

    The Absolute Regional Temperature Potential (ARTP) is one of the few climate metrics that provides estimates of impacts at a sub-global scale. The ARTP presented here gives the time-dependent temperature response in four latitude bands (90-28degS, 28degS-28degN, 28-60degN and 60-90degN) as a function of emissions based on the forcing in those bands caused by the emissions. It is based on a large set of simulations performed with a single atmosphere-ocean climate model to derive regional forcing/response relationships. Here I evaluate the robustness of those relationships using the forcing/response portion of the ARTP to estimate regional temperature responses to the historic aerosol forcing in three independent climate models. These ARTP results are in good accord with the actual responses in those models. Nearly all ARTP estimates fall within +/-20%of the actual responses, though there are some exceptions for 90-28degS and the Arctic, and in the latter the ARTP may vary with forcing agent. However, for the tropics and the Northern Hemisphere mid-latitudes in particular, the +/-20% range appears to be roughly consistent with the 95% confidence interval. Land areas within these two bands respond 39-45% and 9-39% more than the latitude band as a whole. The ARTP, presented here in a slightly revised form, thus appears to provide a relatively robust estimate for the responses of large-scale latitude bands and land areas within those bands to inhomogeneous radiative forcing and thus potentially to emissions as well. Hence this metric could allow rapid evaluation of the effects of emissions policies at a finer scale than global metrics without requiring use of a full climate model.

  20. Absolute Radiometric Calibration of KOMPSAT-3A

    NASA Astrophysics Data System (ADS)

    Ahn, H. Y.; Shin, D. Y.; Kim, J. S.; Seo, D. C.; Choi, C. U.

    2016-06-01

    This paper presents a vicarious radiometric calibration of the Korea Multi-Purpose Satellite-3A (KOMPSAT-3A) performed by the Korea Aerospace Research Institute (KARI) and the Pukyong National University Remote Sensing Group (PKNU RSG) in 2015.The primary stages of this study are summarized as follows: (1) A field campaign to determine radiometric calibrated target fields was undertaken in Mongolia and South Korea. Surface reflectance data obtained in the campaign were input to a radiative transfer code that predicted at-sensor radiance. Through this process, equations and parameters were derived for the KOMPSAT-3A sensor to enable the conversion of calibrated DN to physical units, such as at-sensor radiance or TOA reflectance. (2) To validate the absolute calibration coefficients for the KOMPSAT-3A sensor, we performed a radiometric validation with a comparison of KOMPSAT-3A and Landsat-8 TOA reflectance using one of the six PICS (Libya 4). Correlations between top-of-atmosphere (TOA) radiances and the spectral band responses of the KOMPSAT-3A sensors at the Zuunmod, Mongolia and Goheung, South Korea sites were significant for multispectral bands. The average difference in TOA reflectance between KOMPSAT-3A and Landsat-8 image over the Libya 4, Libya site in the red-green-blue (RGB) region was under 3%, whereas in the NIR band, the TOA reflectance of KOMPSAT-3A was lower than the that of Landsat-8 due to the difference in the band passes of two sensors. The KOMPSAT-3Aensor includes a band pass near 940 nm that can be strongly absorbed by water vapor and therefore displayed low reflectance. Toovercome this, we need to undertake a detailed analysis using rescale methods, such as the spectral bandwidth adjustment factor.

  1. Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Yeo, Sang Chul; Lo, Yu Chieh; Li, Ju; Lee, Hyuck Mo

    2014-10-01

    Ammonia (NH3) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (Eb) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (Eb) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH3 nitridation rate on the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH3 nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH3 nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH3 nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.

  2. Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study

    SciTech Connect

    Yeo, Sang Chul; Lee, Hyuck Mo; Lo, Yu Chieh; Li, Ju

    2014-10-07

    Ammonia (NH{sub 3}) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (E{sub b}) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (E{sub b}) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH{sub 3} nitridation rate on the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH{sub 3} nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH{sub 3} nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH{sub 3} nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.

  3. Radical scavenging ability of gallic acid toward OH and OOH radicals. Reaction mechanism and rate constants from the density functional theory.

    PubMed

    Marino, Tiziana; Galano, Annia; Russo, Nino

    2014-09-01

    Gallic acid is a ubiquitous compound, widely distributed in the vegetal kingdom and frequently found in the human diet. In the present work, its primary antioxidant activity has been investigated using the density functional theory (DFT), and the quantum mechanics-based test for overall free radical scavenging activity (QM-ORSA) protocol. It was found that gallic acid is a better antioxidant than the reference compound, Trolox, regardless of the polarity of the environment. In addition, gallic acid is predicted to be among the best peroxyl radical scavengers identified so far in nonpolar (lipid) media. This compound is capable of scavenging hydroxyl radicals at diffusion-limited rates, and hydroperoxyl radicals with rate constants in the order of 10(5) M(-1) s(-1). The deprotonation of gallic acid, in aqueous solution, is predicted to increase the protective action of this compound against oxidative stress. Gallic acid was also identified as a versatile scavenger, capable of rapidly deactivating a wide variety of reactive oxygen species (ROS) and reactive nitrogen species (RNS) via electron transfer at physiological pH. PMID:25119432

  4. Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing.

    PubMed

    Althorpe, Stuart C; Hele, Timothy J H

    2013-08-28

    In Paper I [T. J. H. Hele and S. C. Althorpe, J. Chem. Phys. 138, 084108 (2013)] we derived a quantum transition-state theory (TST) by taking the t → 0+ limit of a new form of quantum flux-side time-correlation function containing a ring-polymer dividing surface. This t → 0+ limit appears to be unique in giving positive-definite Boltzmann statistics, and is identical to ring-polymer molecular dynamics (RPMD) TST. Here, we show that quantum TST (i.e., RPMD-TST) is exact if there is no recrossing (by the real-time quantum dynamics) of the ring-polymer dividing surface, nor of any surface orthogonal to it in the space describing fluctuations in the polymer-bead positions along the reaction coordinate. In practice, this means that RPMD-TST gives a good approximation to the exact quantum rate for direct reactions, provided the temperature is not too far below the cross-over to deep tunnelling. We derive these results by comparing the t → ∞ limit of the ring-polymer flux-side time-correlation function with that of a hybrid flux-side time-correlation function (containing a ring-polymer flux operator and a Miller-Schwarz-Tromp side function), and by representing the resulting ring-polymer momentum integrals as hypercubes. Together with Paper I, the results of this article validate a large number of RPMD calculations of reaction rates.

  5. New identification method for Hammerstein models based on approximate least absolute deviation

    NASA Astrophysics Data System (ADS)

    Xu, Bao-Chang; Zhang, Ying-Dan

    2016-07-01

    Disorder and peak noises or large disturbances can deteriorate the identification effects of Hammerstein non-linear models when using the least-square (LS) method. The least absolute deviation technique can be used to resolve this problem; however, its absolute value cannot meet the need of differentiability required by most algorithms. To improve robustness and resolve the non-differentiable problem, an approximate least absolute deviation (ALAD) objective function is established by introducing a deterministic function that exhibits the characteristics of absolute value under certain situations. A new identification method for Hammerstein models based on ALAD is thus developed in this paper. The basic idea of this method is to apply the stochastic approximation theory in the process of deriving the recursive equations. After identifying the parameter matrix of the Hammerstein model via the new algorithm, the product terms in the matrix are separated by calculating the average values. Finally, algorithm convergence is proven by applying the ordinary differential equation method. The proposed algorithm has a better robustness as compared to other LS methods, particularly when abnormal points exist in the measured data. Furthermore, the proposed algorithm is easier to apply and converges faster. The simulation results demonstrate the efficacy of the proposed algorithm.

  6. Effects of confining pressure, pore pressure and temperature on absolute permeability. SUPRI TR-27

    SciTech Connect

    Gobran, B.D.; Ramey, H.J. Jr.; Brigham, W.E.

    1981-10-01

    This study investigates absolute permeability of consolidated sandstone and unconsolidated sand cores to distilled water as a function of the confining pressure on the core, the pore pressure of the flowing fluid and the temperature of the system. Since permeability measurements are usually made in the laboratory under conditions very different from those in the reservoir, it is important to know the effect of various parameters on the measured value of permeability. All studies on the effect of confining pressure on absolute permeability have found that when the confining pressure is increased, the permeability is reduced. The studies on the effect of temperature have shown much less consistency. This work contradicts the past Stanford studies by finding no effect of temperature on the absolute permeability of unconsolidated sand or sandstones to distilled water. The probable causes of the past errors are discussed. It has been found that inaccurate measurement of temperature at ambient conditions and non-equilibrium of temperature in the core can lead to a fictitious permeability reduction with temperature increase. The results of this study on the effect of confining pressure and pore pressure support the theory that as confining pressure is increased or pore pressure decreased, the permeability is reduced. The effects of confining pressure and pore pressure changes on absolute permeability are given explicitly so that measurements made under one set of confining pressure/pore pressure conditions in the laboratory can be extrapolated to conditions more representative of the reservoir.

  7. Characterizing absolute piezoelectric microelectromechanical system displacement using an atomic force microscope

    SciTech Connect

    Evans, J. Chapman, S.

    2014-08-14

    Piezoresponse Force Microscopy (PFM) is a popular tool for the study of ferroelectric and piezoelectric materials at the nanometer level. Progress in the development of piezoelectric MEMS fabrication is highlighting the need to characterize absolute displacement at the nanometer and Ångstrom scales, something Atomic Force Microscopy (AFM) might do but PFM cannot. Absolute displacement is measured by executing a polarization measurement of the ferroelectric or piezoelectric capacitor in question while monitoring the absolute vertical position of the sample surface with a stationary AFM cantilever. Two issues dominate the execution and precision of such a measurement: (1) the small amplitude of the electrical signal from the AFM at the Ångstrom level and (2) calibration of the AFM. The authors have developed a calibration routine and test technique for mitigating the two issues, making it possible to use an atomic force microscope to measure both the movement of a capacitor surface as well as the motion of a micro-machine structure actuated by that capacitor. The theory, procedures, pitfalls, and results of using an AFM for absolute piezoelectric measurement are provided.

  8. Mid-infrared absolute spectral responsivity scale based on an absolute cryogenic radiometer and an optical parametric oscillator laser

    NASA Astrophysics Data System (ADS)

    Zhao, Kun; Shi, Xueshun; Chen, Haidong; Liu, Yulong; Liu, Changming; Chen, Kunfeng; Li, Ligong; Gan, Haiyong; Ma, Chong

    2016-06-01

    We are reporting on a laser-based absolute spectral responsivity scale in the mid-infrared spectral range. By using a mid-infrared tunable optical parametric oscillator as the laser source, the absolute responsivity scale has been established by calibrating thin-film thermopile detectors against an absolute cryogenic radiometer. The thin-film thermopile detectors can be then used as transfer standard detectors. The extended uncertainty of the absolute spectral responsivity measurement has been analyzed to be 0.58%–0.68% (k  =  2).

  9. Mid-infrared absolute spectral responsivity scale based on an absolute cryogenic radiometer and an optical parametric oscillator laser

    NASA Astrophysics Data System (ADS)

    Zhao, Kun; Shi, Xueshun; Chen, Haidong; Liu, Yulong; Liu, Changming; Chen, Kunfeng; Li, Ligong; Gan, Haiyong; Ma, Chong

    2016-06-01

    We are reporting on a laser-based absolute spectral responsivity scale in the mid-infrared spectral range. By using a mid-infrared tunable optical parametric oscillator as the laser source, the absolute responsivity scale has been established by calibrating thin-film thermopile detectors against an absolute cryogenic radiometer. The thin-film thermopile detectors can be then used as transfer standard detectors. The extended uncertainty of the absolute spectral responsivity measurement has been analyzed to be 0.58%-0.68% (k  =  2).

  10. Moral absolutism and abortion: Alan Donagan on the hysterectomy and craniotomy cases.

    PubMed

    Reynolds, Terrence

    1985-07-01

    Reynolds argues that the nonconsequentialist moral theory proposed by Alan Donagan in his book The Theory of Morality (University of Chicago Press; 1977) does not resolve the cases in which craniotomy or removal of a cancerous uterus appears necessary to save the life of a pregnant woman. Donagan's absolute prohibition against the murder of the innocent and his rejection of the principle of double effect have led him to view the fetus as a pursuer or assailant or to assert the theory of proleptic agreement--that in risk taking ventures the parties may agree that killing one person to save the lives of the others will be accepted. Reynolds holds these arguments to be inapplicable in therapeutic abortions involving craniotomy or hysterectomy and concludes that Donagan's absolutist theory must be reexamined.

  11. Moral absolutism and abortion: Alan Donagan on the hysterectomy and craniotomy cases.

    PubMed

    Reynolds, Terrence

    1985-07-01

    Reynolds argues that the nonconsequentialist moral theory proposed by Alan Donagan in his book The Theory of Morality (University of Chicago Press; 1977) does not resolve the cases in which craniotomy or removal of a cancerous uterus appears necessary to save the life of a pregnant woman. Donagan's absolute prohibition against the murder of the innocent and his rejection of the principle of double effect have led him to view the fetus as a pursuer or assailant or to assert the theory of proleptic agreement--that in risk taking ventures the parties may agree that killing one person to save the lives of the others will be accepted. Reynolds holds these arguments to be inapplicable in therapeutic abortions involving craniotomy or hysterectomy and concludes that Donagan's absolutist theory must be reexamined. PMID:11658636

  12. Novalis' Poetic Uncertainty: A "Bildung" with the Absolute

    ERIC Educational Resources Information Center

    Mika, Carl

    2016-01-01

    Novalis, the Early German Romantic poet and philosopher, had at the core of his work a mysterious depiction of the "absolute." The absolute is Novalis' name for a substance that defies precise knowledge yet calls for a tentative and sensitive speculation. How one asserts a truth, represents an object, and sets about encountering things…

  13. Absolute Pitch in Infant Auditory Learning: Evidence for Developmental Reorganization.

    ERIC Educational Resources Information Center

    Saffran, Jenny R.; Griepentrog, Gregory J.

    2001-01-01

    Two experiments examined 8-month-olds' use of absolute and relative pitch cues in a tone-sequence statistical learning task. Results suggest that, given unsegmented stimuli that do not conform to rules of musical composition, infants are more likely to track patterns of absolute pitches than of relative pitches. A third experiment found that adult…

  14. Supplementary and Enrichment Series: Absolute Value. Teachers' Commentary. SP-25.

    ERIC Educational Resources Information Center

    Bridgess, M. Philbrick, Ed.

    This is one in a series of manuals for teachers using SMSG high school supplementary materials. The pamphlet includes commentaries on the sections of the student's booklet, answers to the exercises, and sample test questions. Topics covered include addition and multiplication in terms of absolute value, graphs of absolute value in the Cartesian…

  15. Supplementary and Enrichment Series: Absolute Value. SP-24.

    ERIC Educational Resources Information Center

    Bridgess, M. Philbrick, Ed.

    This is one in a series of SMSG supplementary and enrichment pamphlets for high school students. This series is designed to make material for the study of topics of special interest to students readily accessible in classroom quantity. Topics covered include absolute value, addition and multiplication in terms of absolute value, graphs of absolute…

  16. Absolute dimensions of unevolved O type close binaries

    SciTech Connect

    Doom, C.; de Loore, C.

    1984-03-15

    A method is presented to derive the absolute dimensions of early-type detached binaries by combining the observed parameters with results of evolutionary computations. The method is used to obtain the absolute dimensions of nine close binaries. We find that most systems have an initial masss ratio near 1.

  17. Determination of Absolute Zero Using a Computer-Based Laboratory

    ERIC Educational Resources Information Center

    Amrani, D.

    2007-01-01

    We present a simple computer-based laboratory experiment for evaluating absolute zero in degrees Celsius, which can be performed in college and undergraduate physical sciences laboratory courses. With a computer, absolute zero apparatus can help demonstrators or students to observe the relationship between temperature and pressure and use…

  18. Absolute radiometric calibration of advanced remote sensing systems

    NASA Technical Reports Server (NTRS)

    Slater, P. N.

    1982-01-01

    The distinction between the uses of relative and absolute spectroradiometric calibration of remote sensing systems is discussed. The advantages of detector-based absolute calibration are described, and the categories of relative and absolute system calibrations are listed. The limitations and problems associated with three common methods used for the absolute calibration of remote sensing systems are addressed. Two methods are proposed for the in-flight absolute calibration of advanced multispectral linear array systems. One makes use of a sun-illuminated panel in front of the sensor, the radiance of which is monitored by a spectrally flat pyroelectric radiometer. The other uses a large, uniform, high-radiance reference ground surface. The ground and atmospheric measurements required as input to a radiative transfer program to predict the radiance level at the entrance pupil of the orbital sensor are discussed, and the ground instrumentation is described.

  19. Absolute Position Encoders With Vertical Image Binning

    NASA Technical Reports Server (NTRS)

    Leviton, Douglas B.

    2005-01-01

    Improved optoelectronic patternrecognition encoders that measure rotary and linear 1-dimensional positions at conversion rates (numbers of readings per unit time) exceeding 20 kHz have been invented. Heretofore, optoelectronic pattern-recognition absoluteposition encoders have been limited to conversion rates <15 Hz -- too low for emerging industrial applications in which conversion rates ranging from 1 kHz to as much as 100 kHz are required. The high conversion rates of the improved encoders are made possible, in part, by use of vertically compressible or binnable (as described below) scale patterns in combination with modified readout sequences of the image sensors [charge-coupled devices (CCDs)] used to read the scale patterns. The modified readout sequences and the processing of the images thus read out are amenable to implementation by use of modern, high-speed, ultra-compact microprocessors and digital signal processors or field-programmable gate arrays. This combination of improvements makes it possible to greatly increase conversion rates through substantial reductions in all three components of conversion time: exposure time, image-readout time, and image-processing time.

  20. Noninvasive absolute cerebral oximetry with frequency-domain near-infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Hallacoglu, Bertan

    Near-infrared spectroscopy (NIRS) measurements of absolute concentrations of oxy-hemoglobin and deoxy-hemoglobin in the human brain can provide critical information about cerebral physiology in terms of cerebral blood volume, blood flow, oxygen delivery, and metabolic rate of oxygen. We developed several frequency domain NIRS data acquisition and analysis methods aimed at absolute measurements of hemoglobin concentration and saturation in cerebral tissue of adult human subjects. Extensive experimental investigations were carried out in various homogenous and two-layered tissue-mimicking phantoms, and biological tissues. The advantages and limitations of commonly used homogenous models and inversion strategies were thoroughly investigated. Prior to human subjects, extensive studies were carried out in in vivo animal models. In rabbits, absolute hemoglobin oxygen desaturation was shown to depend strongly on surgically induced testicular torsion. Methods developed in this study were then adapted for measurements in the rat brain. Absolute values were demonstrated to discern cerebrovascular impairment in a rat model of diet-induced vascular cognitive impairment. These results facilitated the development of clinically useful optical measures of cerebrovascular health. In a large group of human subjects, employing a homogeneous model for absolute measurements was shown to be reliable and robust. However, it was also shown to be limited due to the relatively thick extracerebral tissue. The procedure we develop in this work and the thesis thereof performs a nonlinear inversion procedure with six unknown parameters with no other prior knowledge for the retrieval of the optical coefficients and top layer thickness with high accuracy on two-layered media. Our absolute measurements of cerebral hemoglobin concentration and saturation are based on the discrimination of extracerebral and cerebral tissue layers, and they can enhance the impact of NIRS for cerebral hemodynamics and