previously predicted theoretically: Topics by Science.gov

Sample records for previously predicted theoretically

Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.

PubMed

Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M

2010-08-14

Ab initio prediction of the crystal packing in complexes between two flexible molecules is a particularly challenging computational chemistry problem. In this work we present results of single crystal structure determinations as well as theoretical predictions for three 1 ratio 1 complexes between hydrophobic l- and d-amino acids (pseudoracemates), known from previous crystallographic work to form structures with one of two alternative hydrogen bonding arrangements. These are accurately reproduced in the theoretical predictions together with a series of patterns that have never been observed experimentally. In this bewildering forest of potential polymorphs, hydrogen bonding arrangements and molecular conformations, the theoretical predictions succeeded, for all three complexes, in finding the correct hydrogen bonding pattern. For two of the complexes, the calculations also reproduce the exact space group and side chain orientations in the best ranked predicted structure. This includes one complex for which the observed crystal packing clearly contradicted previous experience based on experimental data for a substantial number of related amino acid complexes. The results highlight the significant recent advances that have been made in computational methods for crystal structure prediction.
Knowledge of Previous Tasks: Task Similarity Influences Bias in Task Duration Predictions

PubMed Central

Thomas, Kevin E.; König, Cornelius J.

2018-01-01

Bias in predictions of task duration has been attributed to misremembering previous task duration and using previous task duration as a basis for predictions. This research sought to further examine how previous task information affects prediction bias by manipulating task similarity and assessing the role of previous task duration feedback. Task similarity was examined through participants performing two tasks 1 week apart that were the same or different. Duration feedback was provided to all participants (Experiment 1), its recall was manipulated (Experiment 2), and its provision was manipulated (Experiment 3). In all experiments, task similarity influenced bias on the second task, with predictions being less biased when the first task was the same task. However, duration feedback did not influence bias. The findings highlight the pivotal role of knowledge about previous tasks in task duration prediction and are discussed in relation to the theoretical accounts of task duration prediction bias. PMID:29881362
Does Aid to Families with Dependent Children Displace Familial Assistance?

DTIC Science & Technology

1996-07-01

brief discussion of theoretical models of familial transfers that predict displacement as well as previous empirical studies that have examined this...summarizes the findings. Models of Familial Transfers, and Previous Empirical Studies of Displacement Theoretical Models Several models of private...transfer behavior have been posed, including altruism, exchange, and "warm glow." The altruism model (Becker, 1974; Barro, 1974) states, in terms of
Theoretical prediction of gold vein location in deposits originated by a wall magma intrusion

NASA Astrophysics Data System (ADS)

Martin, Pablo; Maass-Artigas, Fernando; Cortés-Vega, Luis

2016-05-01

The isotherm time-evolution resulting from the intrusion of a hot dike in a cold rock is analized considering the general case of nonvertical walls. This is applied to the theoretical prediction of the gold veins location due to isothermal evolution. As in previous treatments earth surface effects are considered and the gold veins are determined by the envelope of the isotherms. The locations of the gold veins in the Callao mines of Venezuela are now well predicted. The new treatment is now more elaborated and complex that in the case of vertical walls, performed in previous papers, but it is more adequated to the real cases as the one in El Callao, where the wall is not vertical.
Enhanced thermoelectric performance of graphene nanoribbon-based devices

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

Hossain, Md Sharafat, E-mail: hossain@student.unimelb.edu.au; Huynh, Duc Hau; Nguyen, Phuong Duc

There have been numerous theoretical studies on exciting thermoelectric properties of graphene nano-ribbons (GNRs); however, most of these studies are mainly based on simulations. In this work, we measure and characterize the thermoelectric properties of GNRs and compare the results with theoretical predictions. Our experimental results verify that nano-structuring and patterning graphene into nano-ribbons significantly enhance its thermoelectric power, confirming previous predictions. Although patterning results in lower conductance (G), the overall power factor (S{sup 2}G) increases for nanoribbons. We demonstrate that edge roughness plays an important role in achieving such an enhanced performance and support it through first principles simulations.more » We show that uncontrolled edge roughness, which is considered detrimental in GNR-based electronic devices, leads to enhanced thermoelectric performance of GNR-based thermoelectric devices. The result validates previously reported theoretical studies of GNRs and demonstrates the potential of GNRs for the realization of highly efficient thermoelectric devices.« less
Impact of DNA twist accumulation on progressive helical wrapping of torsionally constrained DNA.

PubMed

Li, Wei; Wang, Peng-Ye; Yan, Jie; Li, Ming

2012-11-21

DNA wrapping is an important mechanism for chromosomal DNA packaging in cells and viruses. Previous studies of DNA wrapping have been performed mostly on torsionally unconstrained DNA, while in vivo DNA is often under torsional constraint. In this study, we extend a previously proposed theoretical model for wrapping of torsionally unconstrained DNA to a new model including the contribution of DNA twist energy, which influences DNA wrapping drastically. In particular, due to accumulation of twist energy during DNA wrapping, it predicts a finite amount of DNA that can be wrapped on a helical spool. The predictions of the new model are tested by single-molecule study of DNA wrapping under torsional constraint using magnetic tweezers. The theoretical predictions and the experimental results are consistent with each other and their implications are discussed.
Theoretical kinetics of O + C 2H 4

DOE PAGES

Li, Xiaohu; Jasper, Ahren W.; Zádor, Judit; ...

2016-06-01

The reaction of atomic oxygen with ethylene is a fundamental oxidation step in combustion and is prototypical of reactions in which oxygen adds to double bonds. For 3O+C 2H 4 and for this class of reactions generally, decomposition of the initial adduct via spin-allowed reaction channels on the triplet surface competes with intersystem crossing (ISC) and a set of spin-forbidden reaction channels on the ground-state singlet surface. The two surfaces share some bimolecular products but feature different intermediates, pathways, and transition states. In addition, the overall product branching is therefore a sensitive function of the ISC rate. The 3O+C 2Hmore » 4 reaction has been extensively studied, but previous experimental work has not provided detailed branching information at elevated temperatures, while previous theoretical studies have employed empirical treatments of ISC. Here we predict the kinetics of 3O+C 2H 4 using an ab initio transition state theory based master equation (AITSTME) approach that includes an a priori description of ISC. Specifically, the ISC rate is calculated using Landau–Zener statistical theory, consideration of the four lowest-energy electronic states, and a direct classical trajectory study of the product branching immediately after ISC. The present theoretical results are largely in good agreement with existing low-temperature experimental kinetics and molecular beam studies. Good agreement is also found with past theoretical work, with the notable exception of the predicted product branching at elevated temperatures. Above ~1000 K, we predict CH 2CHO+H and CH 2+CH 2O as the major products, which differs from the room temperature preference for CH 3+HCO (which is assumed to remain at higher temperatures in some models) and from the prediction of a previous detailed master equation study.« less
Prospective Predictors of Suicidality: Defeat and Entrapment Lead to Changes in Suicidal Ideation over Time

ERIC Educational Resources Information Center

Taylor, Peter James; Gooding, Patricia A.; Wood, Alex M.; Johnson, Judith; Tarrier, Nicholas

2011-01-01

Theoretical perspectives into suicidality have suggested that heightened perceptions of defeat and entrapment lead to suicidality. However, all previous empirical work has been cross-sectional. We provide the first longitudinal test of the theoretical predictions, in a sample of 79 students who reported suicidality. Participants completed…
Thrust imbalance of solid rocket motor pairs on Space Shuttle flights

NASA Technical Reports Server (NTRS)

Foster, W. A., Jr.; Shu, P. H.; Sforzini, R. H.

1986-01-01

This analysis extends the investigation presented at the 17th Joint Propulsion Conference in 1981 to include fifteen sets of Space Shuttle flight data. The previous report dealt only with static test data and the first flight pair. The objective is to compare the authors' previous theoretical analysis of thrust imbalance with actual Space Shuttle performance. The theoretical prediction method, which involves a Monte Carlo technique, is reviewed briefly as are salient features of the flight instrumentation system and the statistical analysis. A scheme for smoothing flight data is discussed. The effects of changes in design parameters are discussed with special emphasis on the filament wound motor case being developed to replace the steel case. Good agreement between the predictions and the flight data is demonstrated.
Weighted bi-prediction for light field image coding

NASA Astrophysics Data System (ADS)

Conti, Caroline; Nunes, Paulo; Ducla Soares, Luís.

2017-09-01

Light field imaging based on a single-tier camera equipped with a microlens array - also known as integral, holoscopic, and plenoptic imaging - has currently risen up as a practical and prospective approach for future visual applications and services. However, successfully deploying actual light field imaging applications and services will require developing adequate coding solutions to efficiently handle the massive amount of data involved in these systems. In this context, self-similarity compensated prediction is a non-local spatial prediction scheme based on block matching that has been shown to achieve high efficiency for light field image coding based on the High Efficiency Video Coding (HEVC) standard. As previously shown by the authors, this is possible by simply averaging two predictor blocks that are jointly estimated from a causal search window in the current frame itself, referred to as self-similarity bi-prediction. However, theoretical analyses for motion compensated bi-prediction have suggested that it is still possible to achieve further rate-distortion performance improvements by adaptively estimating the weighting coefficients of the two predictor blocks. Therefore, this paper presents a comprehensive study of the rate-distortion performance for HEVC-based light field image coding when using different sets of weighting coefficients for self-similarity bi-prediction. Experimental results demonstrate that it is possible to extend the previous theoretical conclusions to light field image coding and show that the proposed adaptive weighting coefficient selection leads to up to 5 % of bit savings compared to the previous self-similarity bi-prediction scheme.
Revised and improved value of the QED tenth-order electron anomalous magnetic moment

NASA Astrophysics Data System (ADS)

Aoyama, Tatsumi; Kinoshita, Toichiro; Nio, Makiko

2018-02-01

In order to improve the theoretical prediction of the electron anomalous magnetic moment ae we have carried out a new numerical evaluation of the 389 integrals of Set V, which represent 6,354 Feynman vertex diagrams without lepton loops. During this work, we found that one of the integrals, called X 024 , was given a wrong value in the previous calculation due to an incorrect assignment of integration variables. The correction of this error causes a shift of -1.26 to the Set V contribution, and hence to the tenth-order universal (i.e., mass-independent) term A1(10 ). The previous evaluation of all other 388 integrals is free from errors and consistent with the new evaluation. Combining the new and the old (excluding X 024 ) calculations statistically, we obtain 7.606 (192 )(α /π )5 as the best estimate of the Set V contribution. Including the contribution of the diagrams with fermion loops, the improved tenth-order universal term becomes A1(10 )=6.675 (192 ) . Adding hadronic and electroweak contributions leads to the theoretical prediction ae(theory)=1 159 652 182.032 (720 )×10-12 . From this and the best measurement of ae, we obtain the inverse fine-structure constant α-1(ae)=137.035 999 1491 (331 ) . The theoretical prediction of the muon anomalous magnetic moment is also affected by the update of QED contribution and the new value of α , but the shift is much smaller than the theoretical uncertainty.
Permutation entropy of fractional Brownian motion and fractional Gaussian noise

NASA Astrophysics Data System (ADS)

Zunino, L.; Pérez, D. G.; Martín, M. T.; Garavaglia, M.; Plastino, A.; Rosso, O. A.

2008-06-01

We have worked out theoretical curves for the permutation entropy of the fractional Brownian motion and fractional Gaussian noise by using the Bandt and Shiha [C. Bandt, F. Shiha, J. Time Ser. Anal. 28 (2007) 646] theoretical predictions for their corresponding relative frequencies. Comparisons with numerical simulations show an excellent agreement. Furthermore, the entropy-gap in the transition between these processes, observed previously via numerical results, has been here theoretically validated. Also, we have analyzed the behaviour of the permutation entropy of the fractional Gaussian noise for different time delays.
Shear properties of pultruded fiber reinforced polymer composite materials

NASA Astrophysics Data System (ADS)

Seo, J. H.; Kim, S. H.; Ok, D. M.; An, D. J.; Yoon, S. J.

2018-06-01

This paper focuses on the mechanical properties of PFRP composite materials. Especially, relationship between shear property and the other mechanical properties of PFRP composite materials is investigated through comparison between experimental and theoretical results. The shear property of PFRP composite specimen is calculated from the theoretical equations which were suggested in previous studies. In addition, comparison between the shear property determined by the tensile test and the shear property calculated from theoretical equations is conducted and discussed. It was found that the theoretically predicted shear modulus of elasticity considering contiguity is close to the shear modulus of elasticity obtained by the 45° off-axis tensile test.
Applications of system identification methods to the prediction of helicopter stability, control and handling characteristics

NASA Technical Reports Server (NTRS)

Padfield, G. D.; Duval, R. K.

1982-01-01

A set of results on rotorcraft system identification is described. Flight measurements collected on an experimental Puma helicopter are reviewed and some notable characteristics highlighted. Following a brief review of previous work in rotorcraft system identification, the results of state estimation and model structure estimation processes applied to the Puma data are presented. The results, which were obtained using NASA developed software, are compared with theoretical predictions of roll, yaw and pitching moment derivatives for a 6 degree of freedom model structure. Anomalies are reported. The theoretical methods used are described. A framework for reduced order modelling is outlined.
Confirmation of theoretical colour predictions for layering dental composite materials.

PubMed

Mikhail, Sarah S; Johnston, William M

2014-04-01

The aim of this study is to confirm the theoretical colour predictions for single and double layers of dental composite materials on an opaque backing. Single and double layers of composite resins were fabricated, placed in optical contact with a grey backing and measured for spectral radiance. The spectral reflectance and colour were directly determined. Absorption and scattering coefficients as previously reported, the measured thickness of the single layers and the effective reflectance of the grey backing were utilized to theoretically predict the reflectance of the single layer using corrected Kubelka-Munk reflectance theory. For double layers the predicted effective reflectance of the single layer was used as the reflectance of the backing of the second layer and the thickness of the second layer was used to predict the reflectance of the double layer. Colour differences, using both the CIELAB and CIEDE2000 formulae, measured the discrepancy between each directly determined colour and its corresponding theoretical colour. The colour difference discrepancies generally ranged around the perceptibility threshold but were consistently below the respective acceptability threshold. This theory can predict the colour of layers of composite resin within acceptability limits and generally also within perceptibility limits. This theory could therefore be incorporated into computer-based optical measuring instruments that can automate the shade selections for layers of a more opaque first layer under a more translucent second layer for those clinical situations where an underlying background colour and a desirable final colour can be measured. Copyright © 2014 Elsevier Ltd. All rights reserved.
Theoretical analysis of the axial growth of nanowires starting with a binary eutectic droplet via vapor-liquid-solid mechanism

NASA Astrophysics Data System (ADS)

Liu, Qing; Li, Hejun; Zhang, Yulei; Zhao, Zhigang

2018-06-01

A series of theoretical analysis is carried out for the axial vapor-liquid-solid (VLS) growth of nanowires starting with a binary eutectic droplet. The growth model considering the entire process of axial VLS growth is a development of the approaches already developed by previous studies. In this model, the steady and unsteady state growth are considered both. The amount of solute species in a variable liquid droplet, the nanowire length, radius, growth rate and all other parameters during the entire axial growth process are treated as functions of growth time. The model provides theoretical predictions for the formation of nanowire shape, the length-radius and growth rate-radius dependences. It is also suggested by the model that the initial growth of single nanowire is significantly affected by Gibbs-Thompson effect due to the shape change. The model was applied on predictions of available experimental data of Si and Ge nanowires grown from Au-Si and Au-Ge systems respectively reported by other works. The calculations with the proposed model are in satisfactory agreement with the experimental results of the previous works.
A state-based probabilistic model for tumor respiratory motion prediction

NASA Astrophysics Data System (ADS)

Kalet, Alan; Sandison, George; Wu, Huanmei; Schmitz, Ruth

2010-12-01

This work proposes a new probabilistic mathematical model for predicting tumor motion and position based on a finite state representation using the natural breathing states of exhale, inhale and end of exhale. Tumor motion was broken down into linear breathing states and sequences of states. Breathing state sequences and the observables representing those sequences were analyzed using a hidden Markov model (HMM) to predict the future sequences and new observables. Velocities and other parameters were clustered using a k-means clustering algorithm to associate each state with a set of observables such that a prediction of state also enables a prediction of tumor velocity. A time average model with predictions based on average past state lengths was also computed. State sequences which are known a priori to fit the data were fed into the HMM algorithm to set a theoretical limit of the predictive power of the model. The effectiveness of the presented probabilistic model has been evaluated for gated radiation therapy based on previously tracked tumor motion in four lung cancer patients. Positional prediction accuracy is compared with actual position in terms of the overall RMS errors. Various system delays, ranging from 33 to 1000 ms, were tested. Previous studies have shown duty cycles for latencies of 33 and 200 ms at around 90% and 80%, respectively, for linear, no prediction, Kalman filter and ANN methods as averaged over multiple patients. At 1000 ms, the previously reported duty cycles range from approximately 62% (ANN) down to 34% (no prediction). Average duty cycle for the HMM method was found to be 100% and 91 ± 3% for 33 and 200 ms latency and around 40% for 1000 ms latency in three out of four breathing motion traces. RMS errors were found to be lower than linear and no prediction methods at latencies of 1000 ms. The results show that for system latencies longer than 400 ms, the time average HMM prediction outperforms linear, no prediction, and the more general HMM-type predictive models. RMS errors for the time average model approach the theoretical limit of the HMM, and predicted state sequences are well correlated with sequences known to fit the data.
The perfect family: decision making in biparental care.

PubMed

Akçay, Erol; Roughgarden, Joan

2009-10-13

Previous theoretical work on parental decisions in biparental care has emphasized the role of the conflict between evolutionary interests of parents in these decisions. A prominent prediction from this work is that parents should compensate for decreases in each other's effort, but only partially so. However, experimental tests that manipulate parents and measure their responses fail to confirm this prediction. At the same time, the process of parental decision making has remained unexplored theoretically. We develop a model to address the discrepancy between experiments and the theoretical prediction, and explore how assuming different decision making processes changes the prediction from the theory. We assume that parents make decisions in behavioral time. They have a fixed time budget, and allocate it between two parental tasks: provisioning the offspring and defending the nest. The proximate determinant of the allocation decisions are parents' behavioral objectives. We assume both parents aim to maximize the offspring production from the nest. Experimental manipulations change the shape of the nest production function. We consider two different scenarios for how parents make decisions: one where parents communicate with each other and act together (the perfect family), and one where they do not communicate, and act independently (the almost perfect family). The perfect family model is able to generate all the types of responses seen in experimental studies. The kind of response predicted depends on the nest production function, i.e. how parents' allocations affect offspring production, and the type of experimental manipulation. In particular, we find that complementarity of parents' allocations promotes matching responses. In contrast, the relative responses do not depend on the type of manipulation in the almost perfect family model. These results highlight the importance of the interaction between nest production function and how parents make decisions, factors that have largely been overlooked in previous models.
An evidential link prediction method and link predictability based on Shannon entropy

NASA Astrophysics Data System (ADS)

Yin, Likang; Zheng, Haoyang; Bian, Tian; Deng, Yong

2017-09-01

Predicting missing links is of both theoretical value and practical interest in network science. In this paper, we empirically investigate a new link prediction method base on similarity and compare nine well-known local similarity measures on nine real networks. Most of the previous studies focus on the accuracy, however, it is crucial to consider the link predictability as an initial property of networks itself. Hence, this paper has proposed a new link prediction approach called evidential measure (EM) based on Dempster-Shafer theory. Moreover, this paper proposed a new method to measure link predictability via local information and Shannon entropy.
Beam Heating of Samples: Modeling and Verification. Part 2

NASA Technical Reports Server (NTRS)

Kazmierczak, Michael; Gopalakrishnan, Pradeep; Kumar, Raghav; Banerjee Rupak; Snell, Edward; Bellamy, Henry; Rosenbaum, Gerd; vanderWoerd, Mark

2006-01-01

Energy absorbed from the X-ray beam by the sample requires cooling by forced convection (i.e. cryostream) to minimize temperature increase and the damage caused to the sample by the X-ray heating. In this presentation we will first review the current theoretical models and recent studies in the literature, which predict the sample temperature rise for a given set of beam parameters. It should be noted that a common weakness of these previous studies is that none of them provide actual experimental confirmation. This situation is now remedied in our investigation where the problem of x-ray sample heating is taken up once more. We have theoretically investigated, and at the same time, in addition to the numerical computations, performed experiments to validate the predictions. We have modeled, analyzed and experimentally tested the temperature rise of a 1 mm diameter glass sphere (sample surrogate) exposed to an intense synchrotron X-ray beam, while it is being cooled in a uniform flow of nitrogen gas. The heat transfer, including external convection and internal heat conduction was theoretically modeled using CFD to predict the temperature variation in the sphere during cooling and while it was subjected to an undulator (ID sector 19) X-ray beam at the APS. The surface temperature of the sphere during the X-ray beam heating was measured using the infrared camera measurement technique described in a previous talk. The temperatures from the numerical predictions and experimental measurements are compared and discussed. Additional results are reported for the two different sphere sizes and for two different supporting pin orientations.

Polarization sensitivity testing of off-plane reflection gratings

NASA Astrophysics Data System (ADS)

Marlowe, Hannah; McEntaffer, Randal L.; DeRoo, Casey T.; Miles, Drew M.; Tutt, James H.; Laubis, Christian; Soltwisch, Victor

2015-09-01

Off-Plane reflection gratings were previously predicted to have different efficiencies when the incident light is polarized in the transverse-magnetic (TM) versus transverse-electric (TE) orientations with respect to the grating grooves. However, more recent theoretical calculations which rigorously account for finitely conducting, rather than perfectly conducting, grating materials no longer predict significant polarization sensitivity. We present the first empirical results for radially ruled, laminar groove profile gratings in the off-plane mount which demonstrate no difference in TM versus TE efficiency across our entire 300-1500 eV bandpass. These measurements together with the recent theoretical results confirm that grazing incidence off-plane reflection gratings using real, not perfectly conducting, materials are not polarization sensitive.
Particle drift model for Z-pinch-driven magneto-Rayleigh-Taylor instability

NASA Astrophysics Data System (ADS)

Dan, Jia Kun; Xu, Qiang; Wang, Kun Lun; Ren, Xiao Dong; Huang, Xian Bin

2016-09-01

A theoretical model of Z-pinch driven magneto-Rayleigh-Taylor instability is proposed based on the particle drift point of view, which can explain the helical instability structure observed in premagnetized imploding liner experiments. It is demonstrated that all possible drift motions, including polarization drift, gradient drift, and curvature drift, which can lead to charge separations, each will attribute to an effective gravity acceleration. Theoretical predictions given by this model are dramatically different from those given by previous theories which have been readily recovered in the theory presented here as a limiting case. The theory shows qualitative agreement with available experimental data of the pitch angle and provides certain predictions to be verified.
The quadrupole moments of some even–even nuclei around the mass of A ~ 80: {sup 68−80}Ge on the neighborhood of {sup 76−84}Kr and {sup 76−84}Se isotopes

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

Yoruk, Abdulkadir, E-mail: yorukabdulkadir@hotmail.com; Turkan, Nureddin, E-mail: nureddin.turkan@medeniyet.edu.tr

2016-09-15

We have carried out the calculation of the quadrupole moments Q(2{sub 1}{sup +}) and electromagnetic transition rates B(E2) of some levels within the framework of the interacting boson model for even-mass Ge nuclei. The presented predictions of the quadrupole moments and B(E2) ratios for Ge nuclei are compared with the results of some previous experimental and theoretical ones along with those of the neighboring Kr and Se isotopes and then it was seen that they agree well with the previous experimental and theoretical ones.
Personality traits and achievement motives: theoretical and empirical relations between the NEO Personality Inventory-Revised and the Achievement Motives Scale.

PubMed

Diseth, Age; Martinsen, Øyvind

2009-04-01

Theoretical and empirical relations between personality traits and motive dispositions were investigated by comparing scores of 315 undergraduate psychology students on the NEO Personality Inventory-Revised and the Achievement Motives Scale. Analyses showed all NEO Personality Inventory-Revised factors except agreeableness were significantly correlated with the motive for success and the motive to avoid failure. A structural equation model showed that motive for success was predicted by Extraversion, Openness, Conscientiousness, and Neuroticism (negative relation), and motive to avoid failure was predicted by Neuroticism and Openness (negative relation). Although both achievement motives were predicted by several personality factors, motive for success was most strongly predicted by Openness, and motive to avoid failure was most strongly predicted by neuroticism. These findings extended previous research on the relations of personality traits and achievement motives and provided a basis for the discussion of motive dispositions in personality. The results also added to the construct validity of the Achievement Motives Scale.
The rank correlated FSK model for prediction of gas radiation in non-uniform media, and its relationship to the rank correlated SLW model

NASA Astrophysics Data System (ADS)

Solovjov, Vladimir P.; Webb, Brent W.; Andre, Frederic

2018-07-01

Following previous theoretical development based on the assumption of a rank correlated spectrum, the Rank Correlated Full Spectrum k-distribution (RC-FSK) method is proposed. The method proves advantageous in modeling radiation transfer in high temperature gases in non-uniform media in two important ways. First, and perhaps most importantly, the method requires no specification of a reference gas thermodynamic state. Second, the spectral construction of the RC-FSK model is simpler than original correlated FSK models, requiring only two cumulative k-distributions. Further, although not exhaustive, example problems presented here suggest that the method may also yield improved accuracy relative to prior methods, and may exhibit less sensitivity to the blackbody source temperature used in the model predictions. This paper outlines the theoretical development of the RC-FSK method, comparing the spectral construction with prior correlated spectrum FSK method formulations. Further the RC-FSK model's relationship to the Rank Correlated Spectral Line Weighted-sum-of-gray-gases (RC-SLW) model is defined. The work presents predictions using the Rank Correlated FSK method and previous FSK methods in three different example problems. Line-by-line benchmark predictions are used to assess the accuracy.
Divergent Perceptions: Parental Acceptance and Adolescents' Psychosocial Adjustment.

ERIC Educational Resources Information Center

Eguia, Maria E.

This study examined whether divergent parent-adolescent perceptions regarding parental acceptance predicted adolescent adjustment when the level of parental acceptance (as perceived by the adolescent) was held constant, a methodological and theoretical issue largely ignored by previous research. Subjects were 192 intact, primarily dual-earner…
Predicting Intentional Communication in Preverbal Preschoolers with Autism Spectrum Disorder

ERIC Educational Resources Information Center

Sandbank, Micheal; Woynaroski, Tiffany; Watson, Linda R.; Gardner, Elizabeth; Keçeli Kaysili, Bahar; Yoder, Paul

2017-01-01

Intentional communication has previously been identified as a value-added predictor of expressive language in preverbal preschoolers with autism spectrum disorder. In the present study, we sought to identify value-added predictors of intentional communication. Of five theoretically-motivated putative predictors of intentional communication…
Analysis of experimental results of the inlet for the NASA hypersonic research engine aerothermodynamic integration model. [wind tunnel tests of ramjet engine hypersonic inlets

NASA Technical Reports Server (NTRS)

Andrews, E. H., Jr.; Mackley, E. A.

1976-01-01

An aerodynamic engine inlet analysis was performed on the experimental results obtained at nominal Mach numbers of 5, 6, and 7 from the NASA Hypersonic Research Engine (HRE) Aerothermodynamic Integration Model (AIM). Incorporation on the AIM of the mixed-compression inlet design represented the final phase of an inlet development program of the HRE Project. The purpose of this analysis was to compare the AIM inlet experimental results with theoretical results. Experimental performance was based on measured surface pressures used in a one-dimensional force-momentum theorem. Results of the analysis indicate that surface static-pressure measurements agree reasonably well with theoretical predictions except in the regions where the theory predicts large pressure discontinuities. Experimental and theoretical results both based on the one-dimensional force-momentum theorem yielded inlet performance parameters as functions of Mach number that exhibited reasonable agreement. Previous predictions of inlet unstart that resulted from pressure disturbances created by fuel injection and combustion appeared to be pessimistic.
A theoretical analysis of deformation behavior of auxetic plied yarn structure

NASA Astrophysics Data System (ADS)

Zeng, Jifang; Hu, Hong

2018-07-01

This paper presents a theoretical analysis of the auxetic plied yarn (APY) structure formed with two types of single yarns having different diameter and modulus. A model which can be used to predict its deformation behavior under axial extension is developed based on the theoretical analysis. The developed model is first compared with the experimental data obtained in the previous study, and then used to predict the effects of different structural and material parameters on the auxetic behavior of the APY. The calculation results show that the developed model can correctly predict the variation trend of the auxetic behavior of the APY, which first increases and then decrease with the increase of the axial strain. The calculation results also indicate that the auxetic behavior of the APY simultaneously depends on the diameter ratio of the soft yarn and stiff yarn as well as the ratio between the pitch length and stiff yarn diameter. The study provides a way to design and fabricate APYs with the same auxetic behavior by using different soft and stiff yarns as long as these two ratios are kept unchanged.
Theoretical model for plasmonic photothermal response of gold nanostructures solutions

NASA Astrophysics Data System (ADS)

Phan, Anh D.; Nga, Do T.; Viet, Nguyen A.

2018-03-01

Photothermal effects of gold core-shell nanoparticles and nanorods dispersed in water are theoretically investigated using the transient bioheat equation and the extended Mie theory. Properly calculating the absorption cross section is an extremely crucial milestone to determine the elevation of solution temperature. The nanostructures are assumed to be randomly and uniformly distributed in the solution. Compared to previous experiments, our theoretical temperature increase during laser light illumination provides, in various systems, both reasonable qualitative and quantitative agreement. This approach can be a highly reliable tool to predict photothermal effects in experimentally unexplored structures. We also validate our approach and discuss itslimitations.
On Deviations between Observed and Theoretically Estimated Values on Additivity-Law Failures

NASA Astrophysics Data System (ADS)

Nayatani, Yoshinobu; Sobagaki, Hiroaki

The authors have reported in the previous studies that the average observed results are about a half of the corresponding predictions on the experiments with large additivity-law failures. One of the reasons of the deviations is studied and clarified by using the original observed data on additivity-law failures in the Nakano experiment. The conclusion from the observations and their analyses clarified that it was essentially difficult to have a good agreement between the average observed results and the corresponding theoretical predictions in the experiments with large additivity-law failures. This is caused by a kind of unavoidable psychological pressure existing in subjects participated in the experiments. We should be satisfied with the agreement in trend between them.
Modeling and empirical characterization of the polarization response of off-plane reflection gratings.

PubMed

Marlowe, Hannah; McEntaffer, Randall L; Tutt, James H; DeRoo, Casey T; Miles, Drew M; Goray, Leonid I; Soltwisch, Victor; Scholze, Frank; Herrero, Analia Fernandez; Laubis, Christian

2016-07-20

Off-plane reflection gratings were previously predicted to have different efficiencies when the incident light is polarized in the transverse-magnetic (TM) versus transverse-electric (TE) orientations with respect to the grating grooves. However, more recent theoretical calculations which rigorously account for finitely conducting, rather than perfectly conducting, grating materials no longer predict significant polarization sensitivity. We present the first empirical results for radially ruled, laminar groove profile gratings in the off-plane mount, which demonstrate no difference in TM versus TE efficiency across our entire 300-1500 eV bandpass. These measurements together with the recent theoretical results confirm that grazing incidence off-plane reflection gratings using real, not perfectly conducting, materials are not polarization sensitive.
Rational design of new electrolyte materials for electrochemical double layer capacitors

NASA Astrophysics Data System (ADS)

Schütter, Christoph; Husch, Tamara; Viswanathan, Venkatasubramanian; Passerini, Stefano; Balducci, Andrea; Korth, Martin

2016-09-01

The development of new electrolytes is a centerpiece of many strategies to improve electrochemical double layer capacitor (EDLC) devices. We present here a computational screening-based rational design approach to find new electrolyte materials. As an example application, the known chemical space of almost 70 million compounds is investigated in search of electrochemically more stable solvents. Cyano esters are identified as especially promising new compound class. Theoretical predictions are validated with subsequent experimental studies on a selected case. These studies show that based on theoretical predictions only, a previously untested, but very well performing compound class was identified. We thus find that our rational design strategy is indeed able to successfully identify completely new materials with substantially improved properties.
Relapse and Recurrence Prevention in the Treatment for Adolescents with Depression Study

ERIC Educational Resources Information Center

Simons, Anne D.; Rohde, Paul; Kennard, Betsy D.; Robins, Michele

2005-01-01

Relapse and recurrence in adolescent depression are important problems. Much less is known about relapse prevention compared to the acute treatment of depression in adolescents. Based on previous research, theoretical predictions, and clinical experience, the Treatment for Adolescents With Depression Study (TADS) protocol was designed to determine…
Pressure-enhanced ortho-para conversion in solid hydrogen up to 58 GPa.

PubMed

Eggert, J H; Karmon, E; Hemley, R J; Mao, A; Goncharov, A F

1999-10-26

We measured the ortho-para conversion rate in solid hydrogen by using Raman scattering in a diamond-anvil cell, extending previous measurements by a factor of 60 in pressure. We confirm previous experiments that suggested a decrease in the conversion rate above about 0.5 GPa. We observe a distinct minimum at 3 GPa followed by a drastic increase in the conversion rate to our maximum pressure of 58 GPa. This pressure enhancement of conversion is not predicted by previous theoretical treatments and must be due to a new conversion pathway.
Experimental and Theoretical Research on the Compression Performance of CFRP Sheet Confined GFRP Short Pipe

PubMed Central

Zhao, Qilin; Chen, Li; Shao, Guojian

2014-01-01

The axial compressive strength of unidirectional FRP made by pultrusion is generally quite lower than its axial tensile strength. This fact decreases the advantages of FRP as main load bearing member in engineering structure. A theoretical iterative calculation approach was suggested to predict the ultimate axial compressive stress of the combined structure and analyze the influences of geometrical parameters on the ultimate axial compressive stress of the combined structure. In this paper, the experimental and theoretical research on the CFRP sheet confined GFRP short pole was extended to the CFRP sheet confined GFRP short pipe, namely, a hollow section pole. Experiment shows that the bearing capacity of the GFRP short pipe can also be heightened obviously by confining CFRP sheet. The theoretical iterative calculation approach in the previous paper is amended to predict the ultimate axial compressive stress of the CFRP sheet confined GFRP short pipe, of which the results agree with the experiment. Lastly the influences of geometrical parameters on the new combined structure are analyzed. PMID:24672288
Numerical Models for Sound Propagation in Long Spaces

NASA Astrophysics Data System (ADS)

Lai, Chenly Yuen Cheung

Both reverberation time and steady-state sound field are the key elements for assessing the acoustic condition in an enclosed space. They affect the noise propagation, speech intelligibility, clarity index, and definition. Since the sound field in a long space is non diffuse, classical room acoustics theory does not apply in this situation. The ray tracing technique and the image source methods are two common models to fathom both reverberation time and steady-state sound field in long enclosures nowadays. Although both models can give an accurate estimate of reverberation times and steady-state sound field directly or indirectly, they often involve time-consuming calculations. In order to simplify the acoustic consideration, a theoretical formulation has been developed for predicting both steady-state sound fields and reverberation times in street canyons. The prediction model is further developed to predict the steady-state sound field in a long enclosure. Apart from the straight long enclosure, there are other variations such as a cross junction, a long enclosure with a T-intersection, an U-turn long enclosure. In the present study, an theoretical and experimental investigations were conducted to develop formulae for predicting reverberation times and steady-state sound fields in a junction of a street canyon and in a long enclosure with T-intersection. The theoretical models are validated by comparing the numerical predictions with published experimental results. The theoretical results are also compared with precise indoor measurements and large-scale outdoor experimental results. In all of previous acoustical studies related to long enclosure, most of the studies are focused on the monopole sound source. Besides non-directional noise source, many noise sources in long enclosure are dipole like, such as train noise and fan noise. In order to study the characteristics of directional noise sources, a review of available dipole source was conducted. A dipole was constructed which was subsequent used for experimental studies. In additional, a theoretical model was developed for predicting dipole sound fields. The theoretical model can be used to study the effect of a dipole source on the speech intelligibility in long enclosures.
Asymmetrical reverse vortex flow due to induced-charge electro-osmosis around carbon stacking structures.

PubMed

Sugioka, Hideyuki

2011-05-01

Broken symmetry of vortices due to induced-charge electro-osmosis (ICEO) around stacking structures is important for the generation of a large net flow in a microchannel. Following theoretical predictions in our previous study, we herein report experimental observations of asymmetrical reverse vortex flows around stacking structures of carbon posts with a large height (~110 μm) in water, prepared by the pyrolysis of a photoresist film in a reducing gas. Further, by the use of a coupled calculation method that considers boundary effects precisely, the experimental results, except for the problem of anomalous flow reversal, are successfully explained. That is, unlike previous predictions, the precise calculations here show that stacking structures accelerate a reverse flow rather than suppressing it for a microfluidic channel because of the deformation of electric fields near the stacking portions; these structures can also generate a large net flow theoretically in the direction opposite that of a previous prediction for a standard vortex flow. Furthermore, by solving the one-dimensional Poisson-Nernst-Plank (PNP) equations in the presence of ac electric fields, we find that the anomalous flow reversal occurs by the phase retardation between the induced diffuse charge and the tangential electric field. In addition, we successfully explain the nonlinearity of the flow velocity on the applied voltage by the PNP analysis. In the future, we expect to improve the pumping performance significantly by using stacking structures of conductive posts along with a low-cost process. © 2011 American Physical Society
Gamma-ray astronomy in the medium energy (10-50 MeV) range

NASA Technical Reports Server (NTRS)

Kniffen, D. A.; Bertsch, D. L.; Morris, D. J.; Palmeira, R. A. R.; Rao, K. R.

1977-01-01

To observe the medium energy component of the intense galactic center gamma-ray emission, two balloon flights of a medium energy gamma-ray spark chamber telescope were flown in Brazil in 1975. The results indicate the emission is higher than previously thought and above the predictions of a theoretical model proposed.
Stretching the Limits in Help-Seeking Research: Theoretical, Methodological, and Technological Advances

ERIC Educational Resources Information Center

Makitalo-Siegl, Kati; Fischer, Frank

2011-01-01

This special section focuses on help seeking in a wide range of learning environments, from classrooms to online forums. Previous research has rather restrictively focused on the identification of personal characteristics that predict whether or not learners seek help under certain conditions. However, help-seeking research has begun to broaden…

Experimental and Computational Studies of Cortical Neural Network Properties Through Signal Processing

NASA Astrophysics Data System (ADS)

Clawson, Wesley Patrick

Previous studies, both theoretical and experimental, of network level dynamics in the cerebral cortex show evidence for a statistical phenomenon called criticality; a phenomenon originally studied in the context of phase transitions in physical systems and that is associated with favorable information processing in the context of the brain. The focus of this thesis is to expand upon past results with new experimentation and modeling to show a relationship between criticality and the ability to detect and discriminate sensory input. A line of theoretical work predicts maximal sensory discrimination as a functional benefit of criticality, which can then be characterized using mutual information between sensory input, visual stimulus, and neural response,. The primary finding of our experiments in the visual cortex in turtles and neuronal network modeling confirms this theoretical prediction. We show that sensory discrimination is maximized when visual cortex operates near criticality. In addition to presenting this primary finding in detail, this thesis will also address our preliminary results on change-point-detection in experimentally measured cortical dynamics.
Theoretical investigation on the microstructure of triethylene glycol based deep eutectic solvents: COSMO-RS and TURBOMOLE prediction

NASA Astrophysics Data System (ADS)

Aissaoui, Tayeb; Benguerba, Yacine; AlNashef, Inas M.

2017-08-01

The in-silico combination mechanism of triethylene glycol based DESs has been studied. COSMO-RS and graphical user interface TmoleX software were used to predict the interaction mechanism of hydrogen bond donors (HBDs) with hydrogen bond acceptors (HBA) to form DESs. The predicted IR results were compared with the previously reported experimental FT-IR analysis for the same studied DESs. The sigma profiles for the HBD, HBAs and formed DESs were interpreted to identify qualitatively molecular properties like polarity or hydrogen bonding donor and acceptor abilities. The predicted physicochemical properties reported in this study were in good agreement with experimental ones.
Gravity-darkening exponents in semi-detached binary systems from their photometric observations. II.

NASA Astrophysics Data System (ADS)

Djurašević, G.; Rovithis-Livaniou, H.; Rovithis, P.; Georgiades, N.; Erkapić, S.; Pavlović, R.

2006-01-01

This second part of our study concerning gravity-darkening presents the results for 8 semi-detached close binary systems. From the light-curve analysis of these systems the exponent of the gravity-darkening (GDE) for the Roche lobe filling components has been empirically derived. The method used for the light-curve analysis is based on Roche geometry, and enables simultaneous estimation of the systems' parameters and the gravity-darkening exponents. Our analysis is restricted to the black-body approximation which can influence in some degree the parameter estimation. The results of our analysis are: 1) For four of the systems, namely: TX UMa, β Per, AW Cam and TW Cas, there is a very good agreement between empirically estimated and theoretically predicted values for purely convective envelopes. 2) For the AI Dra system, the estimated value of gravity-darkening exponent is greater, and for UX Her, TW And and XZ Pup lesser than corresponding theoretical predictions, but for all mentioned systems the obtained values of the gravity-darkening exponent are quite close to the theoretically expected values. 3) Our analysis has proved generally that with the correction of the previously estimated mass ratios of the components within some of the analysed systems, the theoretical predictions of the gravity-darkening exponents for stars with convective envelopes are highly reliable. The anomalous values of the GDE found in some earlier studies of these systems can be considered as the consequence of the inappropriate method used to estimate the GDE. 4) The empirical estimations of GDE given in Paper I and in the present study indicate that in the light-curve analysis one can apply the recent theoretical predictions of GDE with high confidence for stars with both convective and radiative envelopes.
The mechanics of slithering locomotion.

PubMed

Hu, David L; Nirody, Jasmine; Scott, Terri; Shelley, Michael J

2009-06-23

In this experimental and theoretical study, we investigate the slithering of snakes on flat surfaces. Previous studies of slithering have rested on the assumption that snakes slither by pushing laterally against rocks and branches. In this study, we develop a theoretical model for slithering locomotion by observing snake motion kinematics and experimentally measuring the friction coefficients of snakeskin. Our predictions of body speed show good agreement with observations, demonstrating that snake propulsion on flat ground, and possibly in general, relies critically on the frictional anisotropy of their scales. We have also highlighted the importance of weight distribution in lateral undulation, previously difficult to visualize and hence assumed uniform. The ability to redistribute weight, clearly of importance when appendages are airborne in limbed locomotion, has a much broader generality, as shown by its role in improving limbless locomotion.
Sources of science self-efficacy beliefs of middle school students

NASA Astrophysics Data System (ADS)

Britner, Shari L.; Pajares, Frank

2006-05-01

The purpose of this study was to investigate the degree to which A. Bandura's ([1997]) hypothesized sources of self-efficacy predict the science self-efficacy beliefs of middle school students (N = 319), to replicate previous findings that science self-efficacy predicts science achievement, and to explore how science self-efficacy and its antecedents differ by gender. Significant correlations were found between mastery experiences, vicarious experiences, social persuasions, physiological arousal, and self-efficacy. Only mastery experiences significantly predicted science self-efficacy. Girls reported stronger science self-efficacy than did boys. Findings support and extend the theoretical tenets of Bandura's social cognitive theory.
Pressure-enhanced ortho-para conversion in solid hydrogen up to 58 GPa

PubMed Central

Eggert, Jon H.; Karmon, Eran; Hemley, Russell J.; Mao, Ho-kwang; Goncharov, Alexander F.

1999-01-01

We measured the ortho-para conversion rate in solid hydrogen by using Raman scattering in a diamond-anvil cell, extending previous measurements by a factor of 60 in pressure. We confirm previous experiments that suggested a decrease in the conversion rate above about 0.5 GPa. We observe a distinct minimum at 3 GPa followed by a drastic increase in the conversion rate to our maximum pressure of 58 GPa. This pressure enhancement of conversion is not predicted by previous theoretical treatments and must be due to a new conversion pathway. PMID:10535910
Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

DOE PAGES

Caskey, Christopher M.; Holder, Aaron; Shulda, Sarah; ...

2016-04-12

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experimentsmore » indicate that this novel material is N-deficient SnN with tin in the mixed ii/iv valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. Furthermore, this observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn 3N 4 spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.« less
Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

NASA Astrophysics Data System (ADS)

Caskey, Christopher M.; Holder, Aaron; Shulda, Sarah; Christensen, Steven T.; Diercks, David; Schwartz, Craig P.; Biagioni, David; Nordlund, Dennis; Kukliansky, Alon; Natan, Amir; Prendergast, David; Orvananos, Bernardo; Sun, Wenhao; Zhang, Xiuwen; Ceder, Gerbrand; Ginley, David S.; Tumas, William; Perkins, John D.; Stevanovic, Vladan; Pylypenko, Svitlana; Lany, Stephan; Richards, Ryan M.; Zakutayev, Andriy

2016-04-01

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experiments indicate that this novel material is N-deficient SnN with tin in the mixed ii/iv valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. This observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn3N4 spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.
Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures.

PubMed

Caskey, Christopher M; Holder, Aaron; Shulda, Sarah; Christensen, Steven T; Diercks, David; Schwartz, Craig P; Biagioni, David; Nordlund, Dennis; Kukliansky, Alon; Natan, Amir; Prendergast, David; Orvananos, Bernardo; Sun, Wenhao; Zhang, Xiuwen; Ceder, Gerbrand; Ginley, David S; Tumas, William; Perkins, John D; Stevanovic, Vladan; Pylypenko, Svitlana; Lany, Stephan; Richards, Ryan M; Zakutayev, Andriy

2016-04-14

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experiments indicate that this novel material is N-deficient SnN with tin in the mixed ii/iv valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. This observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn3N4 spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.
Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

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

Caskey, Christopher M.; Colorado School of Mines, Golden, Colorado 80401; Larix Chemical Science, Golden, Colorado 80401

2016-04-14

Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new frontier for these studies, since even simple binary non-ground state compounds of common elements may be awaiting discovery. However, there are significant research challenges related to non-equilibrium thin film synthesis and crystal structure predictions, such as small strained crystals in the experimental samples and energy minimization based theoretical algorithms. Here, we report on experimental synthesis and characterization, as well as theoretical first-principles calculations of a previously unreported mixed-valent binary tin nitride. Thin film experimentsmore » indicate that this novel material is N-deficient SnN with tin in the mixed II/IV valence state and a small low-symmetry unit cell. Theoretical calculations suggest that the most likely crystal structure has the space group 2 (SG2) related to the distorted delafossite (SG166), which is nearly 0.1 eV/atom above the ground state SnN polymorph. This observation is rationalized by the structural similarity of the SnN distorted delafossite to the chemically related Sn{sub 3}N{sub 4} spinel compound, which provides a fresh scientific insight into the reasons for growth of polymorphs of metastable materials. In addition to reporting on the discovery of the simple binary SnN compound, this paper illustrates a possible way of combining a wide range of advanced characterization techniques with the first-principle property calculation methods, to elucidate the most likely crystal structure of the previously unreported metastable materials.« less
Hidden disorder in the α '→δ transformation of Pu-1.9 at.% Ga

DOE PAGES

Jeffries, J. R.; Manley, M. E.; Wall, M. A.; ...

2012-06-06

Enthalpy and entropy are thermodynamic quantities critical to determining how and at what temperature a phase transition occurs. At a phase transition, the enthalpy and temperature-weighted entropy differences between two phases are equal (ΔH=TΔS), but there are materials where this balance has not been experimentally or theoretically realized, leading to the idea of hidden order and disorder. In a Pu-1.9 at. % Ga alloy, the δ phase is retained as a metastable state at room temperature, but at low temperatures, the δ phase yields to a mixed-phase microstructure of δ- and α'-Pu. The previously measured sources of entropy associated withmore » the α'→δ transformation fail to sum to the entropy predicted theoretically. We report an experimental measurement of the entropy of the α'→δ transformation that corroborates the theoretical prediction, and implies that only about 65% of the entropy stabilizing the δ phase is accounted for, leaving a missing entropy of about 0.5 k B/atom. Some previously proposed mechanisms for generating entropy are discussed, but none seem capable of providing the necessary disorder to stabilize the δ phase. This hidden disorder represents multiple accessible states per atom within the δ phase of Pu that may not be included in our current understanding of the properties and phase stability of δ-Pu.« less
QED test and nuclear radius determination of helium atom by laser spectroscopy

NASA Astrophysics Data System (ADS)

Pavone, F. S.

1995-01-01

The 23S1-33P0 4He transition at λ = 389 nm is measured with respect to a previously frequency calibrated 87Rb two-photon transition at 2λ = 778 nm. The 4He absolute frequency is 770 732 839 058 (190) kHz, with an accuracy of 2.4 parts in 1010. A Lamb shift value of + 4057.61 (79) MHz, with 600 kHz uncertainty arising from the theoretical position of the 33P0 energy level, is extracted for the 23S1. This value is more than two orders of magnitude more accurate than the current best theoretical predictions. By means of a novel heterodyne spectrometer using only one laser tuned at the atomic frequency, we have measured for the first time the 3He-4He isotope separation for the 23S1-33P0 transition at 389 nm. Our experimental result of 45 394 425 (140) kHz, for the F = 1/2-1/2 3He component, is compared with the theoretical prediction which has similar accuracy and depends also on the rms nuclear radius of 3He. For this we determine a preliminary value of 1.923 (37) fm which shows a slight discrepancy with previous values obtained by extrapolation to zero momentum transfer from high energy scattering measurements.
Empirically-Derived, Person-Oriented Patterns of School Readiness in Typically-Developing Children: Description and Prediction to First-Grade Achievement

ERIC Educational Resources Information Center

Konold, Timothy R.; Pianta, Robert C.

2005-01-01

School readiness assessment is a prominent feature of early childhood education. Because the construct of readiness is multifaceted, we examined children's patterns on multiple indicators previously found to be both theoretically and empirically linked to school readiness: social skill, interactions with parents, problem behavior, and performance…
DOE Office of Scientific and Technical Information (OSTI.GOV)

Lafontaine Rivera, Jimmy G.; Theisen, Matthew K.; Chen, Po-Wei

The product formation yield (product formed per unit substrate consumed) is often the most important performance indicator in metabolic engineering. Until now, the actual yield cannot be predicted, but it can be bounded by its maximum theoretical value. The maximum theoretical yield is calculated by considering the stoichiometry of the pathways and cofactor regeneration involved. Here in this paper we found that in many cases, dynamic stability becomes an issue when excessive pathway flux is drawn to a product. This constraint reduces the yield and renders the maximal theoretical yield too loose to be predictive. We propose a more realisticmore » quantity, defined as the kinetically accessible yield (KAY) to predict the maximum accessible yield for a given flux alteration. KAY is either determined by the point of instability, beyond which steady states become unstable and disappear, or a local maximum before becoming unstable. Thus, KAY is the maximum flux that can be redirected for a given metabolic engineering strategy without losing stability. Strictly speaking, calculation of KAY requires complete kinetic information. With limited or no kinetic information, an Ensemble Modeling strategy can be used to determine a range of likely values for KAY, including an average prediction. We first apply the KAY concept with a toy model to demonstrate the principle of kinetic limitations on yield. We then used a full-scale E. coli model (193 reactions, 153 metabolites) and this approach was successful in E. coli for predicting production of isobutanol: the calculated KAY values are consistent with experimental data for three genotypes previously published.« less
Predicting the dynamics of bacterial growth inhibition by ribosome-targeting antibiotics

NASA Astrophysics Data System (ADS)

Greulich, Philip; Doležal, Jakub; Scott, Matthew; Evans, Martin R.; Allen, Rosalind J.

2017-12-01

Understanding how antibiotics inhibit bacteria can help to reduce antibiotic use and hence avoid antimicrobial resistance—yet few theoretical models exist for bacterial growth inhibition by a clinically relevant antibiotic treatment regimen. In particular, in the clinic, antibiotic treatment is time-dependent. Here, we use a theoretical model, previously applied to steady-state bacterial growth, to predict the dynamical response of a bacterial cell to a time-dependent dose of ribosome-targeting antibiotic. Our results depend strongly on whether the antibiotic shows reversible transport and/or low-affinity ribosome binding (‘low-affinity antibiotic’) or, in contrast, irreversible transport and/or high affinity ribosome binding (‘high-affinity antibiotic’). For low-affinity antibiotics, our model predicts that growth inhibition depends on the duration of the antibiotic pulse, and can show a transient period of very fast growth following removal of the antibiotic. For high-affinity antibiotics, growth inhibition depends on peak dosage rather than dose duration, and the model predicts a pronounced post-antibiotic effect, due to hysteresis, in which growth can be suppressed for long times after the antibiotic dose has ended. These predictions are experimentally testable and may be of clinical significance.
Predicting the dynamics of bacterial growth inhibition by ribosome-targeting antibiotics

PubMed Central

Greulich, Philip; Doležal, Jakub; Scott, Matthew; Evans, Martin R; Allen, Rosalind J

2017-01-01

Understanding how antibiotics inhibit bacteria can help to reduce antibiotic use and hence avoid antimicrobial resistance—yet few theoretical models exist for bacterial growth inhibition by a clinically relevant antibiotic treatment regimen. In particular, in the clinic, antibiotic treatment is time-dependent. Here, we use a theoretical model, previously applied to steady-state bacterial growth, to predict the dynamical response of a bacterial cell to a time-dependent dose of ribosome-targeting antibiotic. Our results depend strongly on whether the antibiotic shows reversible transport and/or low-affinity ribosome binding (‘low-affinity antibiotic’) or, in contrast, irreversible transport and/or high affinity ribosome binding (‘high-affinity antibiotic’). For low-affinity antibiotics, our model predicts that growth inhibition depends on the duration of the antibiotic pulse, and can show a transient period of very fast growth following removal of the antibiotic. For high-affinity antibiotics, growth inhibition depends on peak dosage rather than dose duration, and the model predicts a pronounced post-antibiotic effect, due to hysteresis, in which growth can be suppressed for long times after the antibiotic dose has ended. These predictions are experimentally testable and may be of clinical significance. PMID:28714461
Incoherent vector mesons production in PbPb ultraperipheral collisions at the LHC

NASA Astrophysics Data System (ADS)

Xie, Ya-Ping; Chen, Xurong

2017-03-01

The incoherent rapidity distributions of vector mesons are computed in dipole model in PbPb ultraperipheral collisions at the CERN Large Hadron Collider (LHC). The IIM model fitted from newer data is employed in the dipole amplitude. The Boosted Gaussian and Gaus-LC wave functions for vector mesons are implemented in the calculations as well. Predictions for the J / ψ, ψ (2 s), ρ and ϕ incoherent rapidity distributions are evaluated and compared with experimental data and other theoretical predictions in this paper. We obtain closer predictions of the incoherent rapidity distributions for J / ψ than previous calculations in the IIM model.
Task inhibition, conflict, and the n-2 repetition cost: A combined computational and empirical approach.

PubMed

Sexton, Nicholas J; Cooper, Richard P

2017-05-01

Task inhibition (also known as backward inhibition) is an hypothesised form of cognitive inhibition evident in multi-task situations, with the role of facilitating switching between multiple, competing tasks. This article presents a novel cognitive computational model of a backward inhibition mechanism. By combining aspects of previous cognitive models in task switching and conflict monitoring, the model instantiates the theoretical proposal that backward inhibition is the direct result of conflict between multiple task representations. In a first simulation, we demonstrate that the model produces two effects widely observed in the empirical literature, specifically, reaction time costs for both (n-1) task switches and n-2 task repeats. Through a systematic search of parameter space, we demonstrate that these effects are a general property of the model's theoretical content, and not specific parameter settings. We further demonstrate that the model captures previously reported empirical effects of inter-trial interval on n-2 switch costs. A final simulation extends the paradigm of switching between tasks of asymmetric difficulty to three tasks, and generates novel predictions for n-2 repetition costs. Specifically, the model predicts that n-2 repetition costs associated with hard-easy-hard alternations are greater than for easy-hard-easy alternations. Finally, we report two behavioural experiments testing this hypothesis, with results consistent with the model predictions. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.
THE FERTILITY MOTIVATIONS OF YOUTH PREDICT LATER FERTILITY OUTCOMES: A PROSPECTIVE ANALYSIS OF NLSY DATA*

PubMed Central

Miller, Warren B.; Rodgers, Joseph Lee; Pasta, David J.

2010-01-01

We examine how the motivational sequence that leads to childbearing predicts fertility outcomes across reproductive careers. Using a motivational traits-desires-intentions theoretical framework, we test a structural equation model using prospective male and female data from the National Longitudinal Survey of Youth. Specifically, we take motivational data collected during the 1979–1982 period, when the youths were in their teens and early twenties, to predict the timing of the next child born after 1982 and the total number of children born by 2002. Separate models were estimated for males and females but with equality constraints imposed unless relaxing these constraints improved the overall model fit. The results indicate substantial explanatory power of fertility motivations for both short-term and long-term fertility outcomes. They also reveal the effects of both gender role attitude and educational intentions on these outcomes. Although some sex differences in model pathways occurred, the primary hypothesized pathways were essentially the same across the sexes. Two validity substudies support the soundness of the results. A third substudy comparing the male and female models across the sample split on the basis of previous childbearing revealed a number of pattern differences within the four sex-by-previous childbearing groups. Several of the more robust of these pattern differences offer interesting insights and support the validity and usefulness of our theoretical framework. PMID:20463915
Realization of Rectangular Artificial Spin Ice and Direct Observation of High Energy Topology.

PubMed

Ribeiro, I R B; Nascimento, F S; Ferreira, S O; Moura-Melo, W A; Costa, C A R; Borme, J; Freitas, P P; Wysin, G M; de Araujo, C I L; Pereira, A R

2017-10-25

In this work, we have constructed and experimentally investigated frustrated arrays of dipoles forming two-dimensional artificial spin ices with different lattice parameters (rectangular arrays with horizontal and vertical lattice spacings denoted by a and b respectively). Arrays with three different aspect ratios γ = a/b = [Formula: see text], [Formula: see text] and [Formula: see text] are studied. Theoretical calculations of low-energy demagnetized configurations for these same parameters are also presented. Experimental data for demagnetized samples confirm most of the theoretical results. However, the highest energy topology (doubly-charged monopoles) does not emerge in our theoretical model, while they are seen in experiments for large enough γ. Our results also insinuate that the string tension connecting two magnetic monopoles in a pair vanishes in rectangular lattices with a critical ratio γ = γ c = [Formula: see text], supporting previous theoretical predictions.

Effects of sediment supply on surface textures of gravel-bed rivers

Treesearch

John M. Buffington; David R. Montgomery

1999-01-01

Using previously published data from flume studies, we test a new approach for quantifying the effects of sediment supply (i.e., bed material supply) on surface grain size of equilibrium gravel channels. Textural response to sediment supply is evaluated relative to a theoretical prediction of competent median grain size (Dâ50). We find that surface median grain size (...
Systematics of heavy-ion charge-exchange straggling

NASA Astrophysics Data System (ADS)

Sigmund, P.; Schinner, A.

2016-10-01

The dependence of heavy-ion charge-exchange straggling on the beam energy has been studied theoretically for several ion-target combinations. Our previous work addressed ions up to krypton, while the present study focuses on heavier ions, especially uranium. Particular attention has been paid to a multiple-peak structure which has been predicted theoretically in our previous work. For high-Z1 and high-Z2 systems, exemplified by U in Au, we identify three maxima in the energy dependence of charge-exchange straggling, while the overall magnitude is comparable with that of collisional straggling. Conversely, for U in C, charge-exchange straggling dominates, but only two peaks lie in the energy range where we presently are able to produce credible predictions. For U-Al we find good agreement with experiment in the energy range around the high-energy maximum. The position of the high-energy peak - which is related to processes in the projectile K shell - is found to scale as Z12, in contrast to the semi-empirical Z13/2 dependence proposed by Yang et al. Measurements for heavy ions in heavy targets are suggested in order to reconcile a major discrepancy between the present calculations and the frequently-used formula by Yang et al.
An empirical/theoretical model with dimensionless numbers to predict the performance of electrodialysis systems on the basis of operating conditions.

PubMed

Karimi, Leila; Ghassemi, Abbas

2016-07-01

Among the different technologies developed for desalination, the electrodialysis/electrodialysis reversal (ED/EDR) process is one of the most promising for treating brackish water with low salinity when there is high risk of scaling. Multiple researchers have investigated ED/EDR to optimize the process, determine the effects of operating parameters, and develop theoretical/empirical models. Previously published empirical/theoretical models have evaluated the effect of the hydraulic conditions of the ED/EDR on the limiting current density using dimensionless numbers. The reason for previous studies' emphasis on limiting current density is twofold: 1) to maximize ion removal, most ED/EDR systems are operated close to limiting current conditions if there is not a scaling potential in the concentrate chamber due to a high concentration of less-soluble salts; and 2) for modeling the ED/EDR system with dimensionless numbers, it is more accurate and convenient to use limiting current density, where the boundary layer's characteristics are known at constant electrical conditions. To improve knowledge of ED/EDR systems, ED/EDR models should be also developed for the Ohmic region, where operation reduces energy consumption, facilitates targeted ion removal, and prolongs membrane life compared to limiting current conditions. In this paper, theoretical/empirical models were developed for ED/EDR performance in a wide range of operating conditions. The presented ion removal and selectivity models were developed for the removal of monovalent ions and divalent ions utilizing the dominant dimensionless numbers obtained from laboratory scale electrodialysis experiments. At any system scale, these models can predict ED/EDR performance in terms of monovalent and divalent ion removal. Copyright © 2016 Elsevier Ltd. All rights reserved.
Structural relaxation in supercooled orthoterphenyl.

PubMed

Chong, S-H; Sciortino, F

2004-05-01

We report molecular-dynamics simulation results performed for a model of molecular liquid orthoterphenyl in supercooled states, which we then compare with both experimental data and mode-coupling-theory (MCT) predictions, aiming at a better understanding of structural relaxation in orthoterphenyl. We pay special attention to the wave number dependence of the collective dynamics. It is shown that the simulation results for the model share many features with experimental data for real system, and that MCT captures the simulation results at the semiquantitative level except for intermediate wave numbers connected to the overall size of the molecule. Theoretical results at the intermediate wave number region are found to be improved by taking into account the spatial correlation of the molecule's geometrical center. This supports the idea that unusual dynamical properties at the intermediate wave numbers, reported previously in simulation studies for the model and discernible in coherent neutron-scattering experimental data, are basically due to the coupling of the rotational motion to the geometrical-center dynamics. However, there still remain qualitative as well as quantitative discrepancies between theoretical prediction and corresponding simulation results at the intermediate wave numbers, which call for further theoretical investigation.
Structures of cycloserine and 2-oxazolidinone probed by X-ray photoelectron spectroscopy: theory and experiment.

PubMed

Ahmed, Marawan; Wang, Feng; Acres, Robert G; Prince, Kevin C

2014-05-22

The electronic structures and properties of 2-oxazolidinone and the related compound cycloserine (CS) have been investigated using theoretical calculations and core and valence photoelectron spectroscopy. Isomerization of the central oxazolidine heterocycle and the addition of an amino group yield cycloserine. Theory correctly predicts the C, N, and O 1s core spectra, and additionally, we report theoretical natural bond orbital (NBO) charges. The valence ionization energies are also in agreement with theory and previous measurements. Although the lowest binding energy part of the spectra of the two compounds shows superficial similarities, further analysis of the charge densities of the frontier orbitals indicates substantial reorganization of the wave functions as a result of isomerization. The highest occupied molecular orbital (HOMO) of CS shows leading carbonyl π character with contributions from other heavy (non-H) atoms in the molecule, while the HOMO of 2-oxazolidinone (OX2) has leading nitrogen, carbon, and oxygen pπ characters. The present study further theoretically predicts bond resonance effects of the compounds, evidence for which is provided by our experimental measurements and published crystallographic data.
A comparison of SAR ATR performance with information theoretic predictions

NASA Astrophysics Data System (ADS)

Blacknell, David

2003-09-01

Performance assessment of automatic target detection and recognition algorithms for SAR systems (or indeed any other sensors) is essential if the military utility of the system / algorithm mix is to be quantified. This is a relatively straightforward task if extensive trials data from an existing system is used. However, a crucial requirement is to assess the potential performance of novel systems as a guide to procurement decisions. This task is no longer straightforward since a hypothetical system cannot provide experimental trials data. QinetiQ has previously developed a theoretical technique for classification algorithm performance assessment based on information theory. The purpose of the study presented here has been to validate this approach. To this end, experimental SAR imagery of targets has been collected using the QinetiQ Enhanced Surveillance Radar to allow algorithm performance assessments as a number of parameters are varied. In particular, performance comparisons can be made for (i) resolutions up to 0.1m, (ii) single channel versus polarimetric (iii) targets in the open versus targets in scrubland and (iv) use versus non-use of camouflage. The change in performance as these parameters are varied has been quantified from the experimental imagery whilst the information theoretic approach has been used to predict the expected variation of performance with parameter value. A comparison of these measured and predicted assessments has revealed the strengths and weaknesses of the theoretical technique as will be discussed in the paper.
Intrinsic and extrinsic effects on image memorability.

PubMed

Bylinskii, Zoya; Isola, Phillip; Bainbridge, Constance; Torralba, Antonio; Oliva, Aude

2015-11-01

Previous studies have identified that images carry the attribute of memorability, a predictive value of whether a novel image will be later remembered or forgotten. Here we investigate the interplay between intrinsic and extrinsic factors that affect image memorability. First, we find that intrinsic differences in memorability exist at a finer-grained scale than previously documented. Second, we test two extrinsic factors: image context and observer behavior. Building on prior findings that images that are distinct with respect to their context are better remembered, we propose an information-theoretic model of image distinctiveness. Our model can automatically predict how changes in context change the memorability of natural images. In addition to context, we study a second extrinsic factor: where an observer looks while memorizing an image. It turns out that eye movements provide additional information that can predict whether or not an image will be remembered, on a trial-by-trial basis. Together, by considering both intrinsic and extrinsic effects on memorability, we arrive at a more complete and fine-grained model of image memorability than previously available. Copyright © 2015 Elsevier Ltd. All rights reserved.
Predicting differences in the perceived relevance of crime's costs and benefits in a test of rational choice theory.

PubMed

Bouffard, Jeffrey A

2007-08-01

Previous hypothetical scenario tests of rational choice theory have presented all participants with the same set of consequences, implicitly assuming that these consequences would be relevant for each individual. Recent research demonstrates that those researcher-presented consequences do not accurately reflect those considered by study participants and that there is individual variation in the relevance of various consequences. Despite this and some theoretical propositions that such differences should exist, little empirical research has explored the possibility of predicting such variation. This study allows participants to develop their own set of relevant consequences for three hypothetical offenses and examines how several demographic and theoretical variables impact those consequences' relevance. Exploratory results suggest individual factors impact the perceived relevance of several cost and benefit types, even among a relatively homogenous sample of college students. Implications for future tests of rational choice theory, as well as policy implications are discussed.
Spin Dependence of η Meson Production in Proton-Proton Collisions Close to Threshold.

PubMed

Adlarson, P; Augustyniak, W; Bardan, W; Bashkanov, M; Bass, S D; Bergmann, F S; Berłowski, M; Bondar, A; Büscher, M; Calén, H; Ciepał, I; Clement, H; Czerwiński, E; Demmich, K; Engels, R; Erven, A; Erven, W; Eyrich, W; Fedorets, P; Föhl, K; Fransson, K; Goldenbaum, F; Goswami, A; Grigoryev, K; Gullström, C-O; Heijkenskjöld, L; Hejny, V; Hüsken, N; Jarczyk, L; Johansson, T; Kamys, B; Kemmerling, G; Khatri, G; Khoukaz, A; Khreptak, O; Kirillov, D A; Kistryn, S; Kleines, H; Kłos, B; Krzemień, W; Kulessa, P; Kupść, A; Kuzmin, A; Lalwani, K; Lersch, D; Lorentz, B; Magiera, A; Maier, R; Marciniewski, P; Mariański, B; Morsch, H-P; Moskal, P; Ohm, H; Parol, W; Perez Del Rio, E; Piskunov, N M; Prasuhn, D; Pszczel, D; Pysz, K; Pyszniak, A; Ritman, J; Roy, A; Rudy, Z; Rundel, O; Sawant, S; Schadmand, S; Schätti-Ozerianska, I; Sefzick, T; Serdyuk, V; Shwartz, B; Sitterberg, K; Skorodko, T; Skurzok, M; Smyrski, J; Sopov, V; Stassen, R; Stepaniak, J; Stephan, E; Sterzenbach, G; Stockhorst, H; Ströher, H; Szczurek, A; Trzciński, A; Wolke, M; Wrońska, A; Wüstner, P; Yamamoto, A; Zabierowski, J; Zieliński, M J; Złomańczuk, J; Żuprański, P; Żurek, M

2018-01-12

Taking advantage of the high acceptance and axial symmetry of the WASA-at-COSY detector, and the high polarization degree of the proton beam of COSY, the reaction p[over →]p→ppη has been measured close to threshold to explore the analyzing power A_{y}. The angular distribution of A_{y} is determined with the precision improved by more than 1 order of magnitude with respect to previous results, allowing a first accurate comparison with theoretical predictions. The determined analyzing power is consistent with zero for an excess energy of Q=15 MeV, signaling s-wave production with no evidence for higher partial waves. At Q=72 MeV the data reveal strong interference of Ps and Pp partial waves and cancellation of (Pp)^{2} and Ss^{*}Sd contributions. These results rule out the presently available theoretical predictions for the production mechanism of the η meson.
Evaluating the Theoretic Adequacy and Applied Potential of Computational Models of the Spacing Effect.

PubMed

Walsh, Matthew M; Gluck, Kevin A; Gunzelmann, Glenn; Jastrzembski, Tiffany; Krusmark, Michael

2018-06-01

The spacing effect is among the most widely replicated empirical phenomena in the learning sciences, and its relevance to education and training is readily apparent. Yet successful applications of spacing effect research to education and training is rare. Computational modeling can provide the crucial link between a century of accumulated experimental data on the spacing effect and the emerging interest in using that research to enable adaptive instruction. In this paper, we review relevant literature and identify 10 criteria for rigorously evaluating computational models of the spacing effect. Five relate to evaluating the theoretic adequacy of a model, and five relate to evaluating its application potential. We use these criteria to evaluate a novel computational model of the spacing effect called the Predictive Performance Equation (PPE). Predictive Performance Equation combines elements of earlier models of learning and memory including the General Performance Equation, Adaptive Control of Thought-Rational, and the New Theory of Disuse, giving rise to a novel computational account of the spacing effect that performs favorably across the complete sets of theoretic and applied criteria. We implemented two other previously published computational models of the spacing effect and compare them to PPE using the theoretic and applied criteria as guides. Copyright © 2018 Cognitive Science Society, Inc.
Kinetically accessible yield (KAY) for redirection of metabolism to produce exo-metabolites

DOE PAGES

Lafontaine Rivera, Jimmy G.; Theisen, Matthew K.; Chen, Po-Wei; ...

2017-04-05

The product formation yield (product formed per unit substrate consumed) is often the most important performance indicator in metabolic engineering. Until now, the actual yield cannot be predicted, but it can be bounded by its maximum theoretical value. The maximum theoretical yield is calculated by considering the stoichiometry of the pathways and cofactor regeneration involved. Here in this paper we found that in many cases, dynamic stability becomes an issue when excessive pathway flux is drawn to a product. This constraint reduces the yield and renders the maximal theoretical yield too loose to be predictive. We propose a more realisticmore » quantity, defined as the kinetically accessible yield (KAY) to predict the maximum accessible yield for a given flux alteration. KAY is either determined by the point of instability, beyond which steady states become unstable and disappear, or a local maximum before becoming unstable. Thus, KAY is the maximum flux that can be redirected for a given metabolic engineering strategy without losing stability. Strictly speaking, calculation of KAY requires complete kinetic information. With limited or no kinetic information, an Ensemble Modeling strategy can be used to determine a range of likely values for KAY, including an average prediction. We first apply the KAY concept with a toy model to demonstrate the principle of kinetic limitations on yield. We then used a full-scale E. coli model (193 reactions, 153 metabolites) and this approach was successful in E. coli for predicting production of isobutanol: the calculated KAY values are consistent with experimental data for three genotypes previously published.« less
ICHEP 2014 Summary: Theory Status after the First LHC Run

NASA Astrophysics Data System (ADS)

Pich, Antonio

2016-04-01

A brief overview of the main highlights discussed at ICHEP 2014 is presented. The experimental data confirm that the scalar boson discovered at the LHC couples to other particles as predicted in the Standard Model. This constitutes a great success of the present theoretical paradigm, which has been confirmed as the correct description at the electroweak scale. At the same time, the negative searches for signals of new phenomena tightly constrain many new-physics scenarios, challenging previous theoretical wisdom and opening new perspectives in fundamental physics. Fresh ideas are needed to face the many pending questions unanswered within the Standard Model framework.
Generalized role for the cerebellum in encoding internal models: evidence from semantic processing.

PubMed

Moberget, Torgeir; Gullesen, Eva Hilland; Andersson, Stein; Ivry, Richard B; Endestad, Tor

2014-02-19

The striking homogeneity of cerebellar microanatomy is strongly suggestive of a corresponding uniformity of function. Consequently, theoretical models of the cerebellum's role in motor control should offer important clues regarding cerebellar contributions to cognition. One such influential theory holds that the cerebellum encodes internal models, neural representations of the context-specific dynamic properties of an object, to facilitate predictive control when manipulating the object. The present study examined whether this theoretical construct can shed light on the contribution of the cerebellum to language processing. We reasoned that the cerebellum might perform a similar coordinative function when the context provided by the initial part of a sentence can be highly predictive of the end of the sentence. Using functional MRI in humans we tested two predictions derived from this hypothesis, building on previous neuroimaging studies of internal models in motor control. First, focal cerebellar activation-reflecting the operation of acquired internal models-should be enhanced when the linguistic context leads terminal words to be predictable. Second, more widespread activation should be observed when such predictions are violated, reflecting the processing of error signals that can be used to update internal models. Both predictions were confirmed, with predictability and prediction violations associated with increased blood oxygenation level-dependent signal in the posterior cerebellum (Crus I/II). Our results provide further evidence for cerebellar involvement in predictive language processing and suggest that the notion of cerebellar internal models may be extended to the language domain.
Why Study Time Does Not Predict Grade Point Average across College Students: Implications of Deliberate Practice for Academic Performance

ERIC Educational Resources Information Center

Plant, E. Ashby; Ericsson, K. Anders; Hill, Len; Asberg, Kia

2005-01-01

The current work draws upon the theoretical framework of deliberate practice in order to clarify why the amount of study by college students is a poor predictor of academic performance. A model was proposed where performance in college, both cumulatively and for a current semester, was jointly determined by previous knowledge and skills as well as…
Prediction and monitoring of clear air turbulence: An evaluation of the applicability of the rawinsonde system

NASA Technical Reports Server (NTRS)

Keller, J. L.

1978-01-01

The applicability of rawinsonde data for either detection or prediction of clear air turbulence is discussed. The mechanism currently believed responsible for the development of CAT is reviewed. Since previous studies determined that the most significant factor for the existence of turbulent layers is the magnitude of the vertical shear, certain theoretically derived shear criteria was applied to statistical and diagnostic comparisons of rawinsonde and Jimsphere/Jimsonde conjunctive vertical profiles. It is determined that the Rawinsonde system cannot reliably be used as a CAT detector in a single-station sense.
Bifurcation of rotating liquid drops: Results from USML-1 experiments in space

NASA Technical Reports Server (NTRS)

Wang, Taylor G.; Anilkumar, A. V.; Lee, C. P.; Lin, K. C.

1994-01-01

Experiments on rotational bifurcation of liquid drops, in which the drops were levitated and spun using acoustic fields in a low-gravity environment, were conducted during the first United States Microgravity Laboratory (USML-1) Space Shuttle flight. The experiments have successfully resolved the discrepancies existing between the previous experimental results and the theoretical predictions. In the case of a spherical drop, for which theory exists, the results agree well with the predictions. In the case of flattened drops, the experiments have extablished a family of curves, with the spherical drop as the limiting case.
Theoretical predictions for α -decay chains of 118 290 -298Og isotopes using a finite-range nucleon-nucleon interaction

NASA Astrophysics Data System (ADS)

Ismail, M.; Adel, A.

2018-04-01

The α -decay half-lives of the recently synthesized superheavy nuclei (SHN) are investigated by employing the density dependent cluster model. A realistic nucleon-nucleon (NN ) interaction with a finite-range exchange part is used to calculate the microscopic α -nucleus potential in the well-established double-folding model. The calculated potential is then implemented to find both the assault frequency and the penetration probability of the α particle by means of the Wentzel-Kramers-Brillouin (WKB) approximation in combination with the Bohr-Sommerfeld quantization condition. The calculated values of α -decay half-lives of the recently synthesized Og isotopes and its decay products are in good agreement with the experimental data. Moreover, the calculated values of α -decay half-lives have been compared with those values evaluated using other theoretical models, and it was found that our theoretical values match well with their counterparts. The competition between α decay and spontaneous fission is investigated and predictions for possible decay modes for the unknown nuclei 118 290 -298Og are presented. We studied the behavior of the α -decay half-lives of Og isotopes and their decay products as a function of the mass number of the parent nuclei. We found that the behavior of the curves is governed by proton and neutron magic numbers found from previous studies. The proton numbers Z =114 , 116, 108, 106 and the neutron numbers N =172 , 164, 162, 158 show some magic character. We hope that the theoretical prediction of α -decay chains provides a new perspective to experimentalists.
Context-specific attentional sampling: Intentional control as a pre-requisite for contextual control.

PubMed

Brosowsky, Nicholaus P; Crump, Matthew J C

2016-08-01

Recent work suggests that environmental cues associated with previous attentional control settings can rapidly and involuntarily adjust attentional priorities. The current study tests predictions from adaptive-learning and memory-based theories of contextual control about the role of intentions for setting attentional priorities. To extend the empirical boundaries of contextual control phenomena, and to determine whether theoretical principles of contextual control are generalizable we used a novel bi-dimensional stimulus sampling task. Subjects viewed briefly presented arrays of letters and colors presented above or below fixation, and identified specific stimuli according to a dimensional (letter or color) and positional cue. Location was predictive of the cued dimension, but not the position or identity. In contrast to previous findings, contextual control failed to develop through automatic, adaptive-learning processes. Instead, previous experience with intentionally changing attentional sampling priorities between different contexts was required for contextual control to develop. Copyright © 2016 Elsevier Inc. All rights reserved.
Uncertainties of predictions from parton distributions II: theoretical errors

NASA Astrophysics Data System (ADS)

Martin, A. D.; Roberts, R. G.; Stirling, W. J.; Thorne, R. S.

2004-06-01

We study the uncertainties in parton distributions, determined in global fits to deep inelastic and related hard scattering data, due to so-called theoretical errors. Amongst these, we include potential errors due to the change of perturbative order (NLO to NNLO), ln(1/x) and ln(1-x) effects, absorptive corrections and higher-twist contributions. We investigate these uncertainties both by including explicit corrections to our standard global analysis and by examining the sensitivity to changes of the x, Q 2, W 2 cuts on the data that are fitted. In this way we expose those kinematic regions where the conventional DGLAP description is inadequate. As a consequence we obtain a set of NLO, and of NNLO, conservative partons where the data are fully consistent with DGLAP evolution, but over a restricted kinematic domain. We also examine the potential effects of such issues as the choice of input parametrisation, heavy target corrections, assumptions about the strange quark sea and isospin violation. Hence we are able to compare the theoretical errors with those uncertainties due to errors on the experimental measurements, which we studied previously. We use W and Higgs boson production at the Tevatron and the LHC as explicit examples of the uncertainties arising from parton distributions. For many observables the theoretical error is dominant, but for the cross section for W production at the Tevatron both the theoretical and experimental uncertainties are small, and hence the NNLO prediction may serve as a valuable luminosity monitor.
A Theoretical Model to Predict Both Horizontal Displacement and Vertical Displacement for Electromagnetic Induction-Based Deep Displacement Sensors

PubMed Central

Shentu, Nanying; Zhang, Hongjian; Li, Qing; Zhou, Hongliang; Tong, Renyuan; Li, Xiong

2012-01-01

Deep displacement observation is one basic means of landslide dynamic study and early warning monitoring and a key part of engineering geological investigation. In our previous work, we proposed a novel electromagnetic induction-based deep displacement sensor (I-type) to predict deep horizontal displacement and a theoretical model called equation-based equivalent loop approach (EELA) to describe its sensing characters. However in many landslide and related geological engineering cases, both horizontal displacement and vertical displacement vary apparently and dynamically so both may require monitoring. In this study, a II-type deep displacement sensor is designed by revising our I-type sensor to simultaneously monitor the deep horizontal displacement and vertical displacement variations at different depths within a sliding mass. Meanwhile, a new theoretical modeling called the numerical integration-based equivalent loop approach (NIELA) has been proposed to quantitatively depict II-type sensors’ mutual inductance properties with respect to predicted horizontal displacements and vertical displacements. After detailed examinations and comparative studies between measured mutual inductance voltage, NIELA-based mutual inductance and EELA-based mutual inductance, NIELA has verified to be an effective and quite accurate analytic model for characterization of II-type sensors. The NIELA model is widely applicable for II-type sensors’ monitoring on all kinds of landslides and other related geohazards with satisfactory estimation accuracy and calculation efficiency. PMID:22368467

Linear free energy relationships between aqueous phase hydroxyl radical reaction rate constants and free energy of activation.

PubMed

Minakata, Daisuke; Crittenden, John

2011-04-15

The hydroxyl radical (HO(•)) is a strong oxidant that reacts with electron-rich sites on organic compounds and initiates complex radical chain reactions in aqueous phase advanced oxidation processes (AOPs). Computer based kinetic modeling requires a reaction pathway generator and predictions of associated reaction rate constants. Previously, we reported a reaction pathway generator that can enumerate the most important elementary reactions for aliphatic compounds. For the reaction rate constant predictor, we develop linear free energy relationships (LFERs) between aqueous phase literature-reported HO(•) reaction rate constants and theoretically calculated free energies of activation for H-atom abstraction from a C-H bond and HO(•) addition to alkenes. The theoretical method uses ab initio quantum mechanical calculations, Gaussian 1-3, for gas phase reactions and a solvation method, COSMO-RS theory, to estimate the impact of water. Theoretically calculated free energies of activation are found to be within approximately ±3 kcal/mol of experimental values. Considering errors that arise from quantum mechanical calculations and experiments, this should be within the acceptable errors. The established LFERs are used to predict the HO(•) reaction rate constants within a factor of 5 from the experimental values. This approach may be applied to other reaction mechanisms to establish a library of rate constant predictions for kinetic modeling of AOPs.
A theoretical model to predict both horizontal displacement and vertical displacement for electromagnetic induction-based deep displacement sensors.

PubMed

Shentu, Nanying; Zhang, Hongjian; Li, Qing; Zhou, Hongliang; Tong, Renyuan; Li, Xiong

2012-01-01

Deep displacement observation is one basic means of landslide dynamic study and early warning monitoring and a key part of engineering geological investigation. In our previous work, we proposed a novel electromagnetic induction-based deep displacement sensor (I-type) to predict deep horizontal displacement and a theoretical model called equation-based equivalent loop approach (EELA) to describe its sensing characters. However in many landslide and related geological engineering cases, both horizontal displacement and vertical displacement vary apparently and dynamically so both may require monitoring. In this study, a II-type deep displacement sensor is designed by revising our I-type sensor to simultaneously monitor the deep horizontal displacement and vertical displacement variations at different depths within a sliding mass. Meanwhile, a new theoretical modeling called the numerical integration-based equivalent loop approach (NIELA) has been proposed to quantitatively depict II-type sensors' mutual inductance properties with respect to predicted horizontal displacements and vertical displacements. After detailed examinations and comparative studies between measured mutual inductance voltage, NIELA-based mutual inductance and EELA-based mutual inductance, NIELA has verified to be an effective and quite accurate analytic model for characterization of II-type sensors. The NIELA model is widely applicable for II-type sensors' monitoring on all kinds of landslides and other related geohazards with satisfactory estimation accuracy and calculation efficiency.
Airfoil self-noise and prediction

NASA Technical Reports Server (NTRS)

Brooks, Thomas F.; Pope, D. Stuart; Marcolini, Michael A.

1989-01-01

A prediction method is developed for the self-generated noise of an airfoil blade encountering smooth flow. The prediction methods for the individual self-noise mechanisms are semiempirical and are based on previous theoretical studies and data obtained from tests of two- and three-dimensional airfoil blade sections. The self-noise mechanisms are due to specific boundary-layer phenomena, that is, the boundary-layer turbulence passing the trailing edge, separated-boundary-layer and stalled flow over an airfoil, vortex shedding due to laminar boundary layer instabilities, vortex shedding from blunt trailing edges, and the turbulent vortex flow existing near the tip of lifting blades. The predictions are compared successfully with published data from three self-noise studies of different airfoil shapes. An application of the prediction method is reported for a large scale-model helicopter rotor, and the predictions compared well with experimental broadband noise measurements. A computer code of the method is given.
The evolution of social and semantic networks in epistemic communities

NASA Astrophysics Data System (ADS)

Margolin, Drew Berkley

This study describes and tests a model of scientific inquiry as an evolving, organizational phenomenon. Arguments are derived from organizational ecology and evolutionary theory. The empirical subject of study is an epistemic community of scientists publishing on a research topic in physics: the string theoretic concept of "D-branes." The study uses evolutionary theory as a means of predicting change in the way members of the community choose concepts to communicate acceptable knowledge claims. It is argued that the pursuit of new knowledge is risky, because the reliability of a novel knowledge claim cannot be verified until after substantial resources have been invested. Using arguments from both philosophy of science and organizational ecology, it is suggested that scientists can mitigate and sensibly share the risks of knowledge discovery within the community by articulating their claims in legitimate forms, i.e., forms that are testable within and relevant to the community. Evidence from empirical studies of semantic usage suggests that the legitimacy of a knowledge claim is influenced by the characteristics of the concepts in which it is articulated. A model of conceptual retention, variation, and selection is then proposed for predicting the usage of concepts and conceptual co-occurrences in the future publications of the community, based on its past. Results substantially supported hypothesized retention and selection mechanisms. Future concept usage was predictable from previous concept usage, but was limited by conceptual carrying capacity as predicted by density dependence theory. Also as predicted, retention was stronger when the community showed a more cohesive social structure. Similarly, concepts that showed structural signatures of high testability and relevance were more likely to be selected after previous usage frequency was controlled for. By contrast, hypotheses for variation mechanisms were not supported. Surprisingly, concepts whose structural position suggested they would be easiest to discover through search processes were used less frequently, once previous usage frequency was controlled for. The study also makes a theoretical contribution by suggesting ways that evolutionary theory can be used to integrate findings from the study of science with insights from organizational communication. A variety of concrete directions for future studies of social and semantic network evolution are also proposed.
Subliminal action priming modulates the perceived intensity of sensory action consequences.

PubMed

Stenner, Max-Philipp; Bauer, Markus; Sidarus, Nura; Heinze, Hans-Jochen; Haggard, Patrick; Dolan, Raymond J

2014-02-01

The sense of control over the consequences of one's actions depends on predictions about these consequences. According to an influential computational model, consistency between predicted and observed action consequences attenuates perceived stimulus intensity, which might provide a marker of agentic control. An important assumption of this model is that these predictions are generated within the motor system. However, previous studies of sensory attenuation have typically confounded motor-specific perceptual modulation with perceptual effects of stimulus predictability that are not specific to motor action. As a result, these studies cannot unambiguously attribute sensory attenuation to a motor locus. We present a psychophysical experiment on auditory attenuation that avoids this pitfall. Subliminal masked priming of motor actions with compatible prime-target pairs has previously been shown to modulate both reaction times and the explicit feeling of control over action consequences. Here, we demonstrate reduced perceived loudness of tones caused by compatibly primed actions. Importantly, this modulation results from a manipulation of motor processing and is not confounded by stimulus predictability. We discuss our results with respect to theoretical models of the mechanisms underlying sensory attenuation and subliminal motor priming. Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.
Subliminal action priming modulates the perceived intensity of sensory action consequences☆

PubMed Central

Stenner, Max-Philipp; Bauer, Markus; Sidarus, Nura; Heinze, Hans-Jochen; Haggard, Patrick; Dolan, Raymond J.

2014-01-01

The sense of control over the consequences of one’s actions depends on predictions about these consequences. According to an influential computational model, consistency between predicted and observed action consequences attenuates perceived stimulus intensity, which might provide a marker of agentic control. An important assumption of this model is that these predictions are generated within the motor system. However, previous studies of sensory attenuation have typically confounded motor-specific perceptual modulation with perceptual effects of stimulus predictability that are not specific to motor action. As a result, these studies cannot unambiguously attribute sensory attenuation to a motor locus. We present a psychophysical experiment on auditory attenuation that avoids this pitfall. Subliminal masked priming of motor actions with compatible prime–target pairs has previously been shown to modulate both reaction times and the explicit feeling of control over action consequences. Here, we demonstrate reduced perceived loudness of tones caused by compatibly primed actions. Importantly, this modulation results from a manipulation of motor processing and is not confounded by stimulus predictability. We discuss our results with respect to theoretical models of the mechanisms underlying sensory attenuation and subliminal motor priming. PMID:24333539
Search for excited states in 25O

NASA Astrophysics Data System (ADS)

Jones, M. D.; Fossez, K.; Baumann, T.; DeYoung, P. A.; Finck, J. E.; Frank, N.; Kuchera, A. N.; Michel, N.; Nazarewicz, W.; Rotureau, J.; Smith, J. K.; Stephenson, S. L.; Stiefel, K.; Thoennessen, M.; Zegers, R. G. T.

2017-11-01

Background: Theoretical calculations suggest the presence of low-lying excited states in 25O. Previous experimental searches by means of proton knockout on 26F produced no evidence for such excitations. Purpose: We search for excited states in 25O using the 24O(d ,p ) 25O reaction. The theoretical analysis of excited states in unbound O,2725 is based on the configuration interaction approach that accounts for couplings to the scattering continuum. Method: We use invariant-mass spectroscopy to measure neutron-unbound states in 25O. For the theoretical approach, we use the complex-energy Gamow Shell Model and Density Matrix Renormalization Group method with a finite-range two-body interaction optimized to the bound states and resonances of O-2623, assuming a core of 22O. We predict energies, decay widths, and asymptotic normalization coefficients. Results: Our calculations in a large s p d f space predict several low-lying excited states in 25O of positive and negative parity, and we obtain an experimental limit on the relative cross section of a possible Jπ=1/2 + state with respect to the ground state of 25O at σ1 /2 +/σg .s .=0 .25-0.25+1.0 . We also discuss how the observation of negative parity states in 25O could guide the search for the low-lying negative parity states in 27O. Conclusion: Previous experiments based on the proton knockout of 26F suffered from the low cross sections for the population of excited states in 25O because of low spectroscopic factors. In this respect, neutron transfer reactions carry more promise.
Arrays of Synthetic Atoms: Nanocapacitor Batteries with Large Energy Density and Small Leak Currents

DTIC Science & Technology

2017-11-28

is exempt from public affairs security and policy review in accordance with AFI 61-201, paragraph 2.3.5.1. This report is available to the general... AVAILABILITY STATEMENT Approved for public release; distribution is unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT We assembled nanocapacitors with...of its performance data with theoretical predictions. We investigated recovery of alumina nanocapacitors after high -voltage breakdown. Previously
Information density converges in dialogue: Towards an information-theoretic model.

PubMed

Xu, Yang; Reitter, David

2018-01-01

The principle of entropy rate constancy (ERC) states that language users distribute information such that words tend to be equally predictable given previous contexts. We examine the applicability of this principle to spoken dialogue, as previous findings primarily rest on written text. The study takes into account the joint-activity nature of dialogue and the topic shift mechanisms that are different from monologue. It examines how the information contributions from the two dialogue partners interactively evolve as the discourse develops. The increase of local sentence-level information density (predicted by ERC) is shown to apply to dialogue overall. However, when the different roles of interlocutors in introducing new topics are identified, their contribution in information content displays a new converging pattern. We draw explanations to this pattern from multiple perspectives: Casting dialogue as an information exchange system would mean that the pattern is the result of two interlocutors maintaining their own context rather than sharing one. Second, we present some empirical evidence that a model of Interactive Alignment may include information density to explain the effect. Third, we argue that building common ground is a process analogous to information convergence. Thus, we put forward an information-theoretic view of dialogue, under which some existing theories of human dialogue may eventually be unified. Copyright © 2017 Elsevier B.V. All rights reserved.
Spectroscopy of the 1/2 2S → 3/2 2P transition in Yb ii: Isotope shifts, hyperfine splitting, and branching ratios

NASA Astrophysics Data System (ADS)

Feldker, T.; Fürst, H.; Ewald, N. V.; Joger, J.; Gerritsma, R.

2018-03-01

We report on spectroscopic results on the 1/2 2S → 3/2 2P transition in single trapped Yb+ ions. We measure the isotope shifts for all stable Yb+ isotopes except +173Yb, as well as the hyperfine splitting of the 3/2 2P state in +171Yb. Our results are in agreement with previous measurements but are a factor of 5-9 more precise. For the hyperfine constant A (3/2 2P)=875.4 (10 )MHz our results also agree with previous measurements but deviate significantly from theoretical predictions. We present experimental results on the branching ratios for the decay of the 3/2 2P state. We find branching fractions for the decay to the 3/2 2D state and 5/2 2D state of 0.17(1)% and 1.08(5)%, respectively, in rough agreement with theoretical predictions. Furthermore, we measured the isotope shifts of the 7/2 2F →1D[5/2 ] 5 /2 transition and determine the hyperfine structure constant for the 1D[5/2 ] 5 /2 state in +171Yb to be A (1D[5/2 ] 5 /2)=-107 (6 ) MHz .
Humpback whale-generated ambient noise levels provide insight into singers' spatial densities.

PubMed

Seger, Kerri D; Thode, Aaron M; Urbán-R, Jorge; Martínez-Loustalot, Pamela; Jiménez-López, M Esther; López-Arzate, Diana

2016-09-01

Baleen whale vocal activity can be the dominant underwater ambient noise source for certain locations and seasons. Previous wind-driven ambient-noise formulations have been adjusted to model ambient noise levels generated by random distributions of singing humpback whales in ocean waveguides and have been combined to a single model. This theoretical model predicts that changes in ambient noise levels with respect to fractional changes in singer population (defined as the noise "sensitivity") are relatively unaffected by the source level distributions and song spectra of individual humpback whales (Megaptera novaeangliae). However, the noise "sensitivity" does depend on frequency and on how the singers' spatial density changes with population size. The theoretical model was tested by comparing visual line transect surveys with bottom-mounted passive acoustic data collected during the 2013 and 2014 humpback whale breeding seasons off Los Cabos, Mexico. A generalized linear model (GLM) estimated the noise "sensitivity" across multiple frequency bands. Comparing the GLM estimates with the theoretical predictions suggests that humpback whales tend to maintain relatively constant spacing between one another while singing, but that individual singers either slightly increase their source levels or song duration, or cluster more tightly as the singing population increases.
The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene

NASA Astrophysics Data System (ADS)

Mackie, Cameron J.; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L.; Buma, Wybren Jan; Lee, Timothy J.; Tielens, Alexander G. G. M.

2016-08-01

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.
The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Mattioda, Andrew L; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2016-08-28

The study of interstellar polycyclic aromatic hydrocarbons (PAHs) relies heavily on theoretically predicted infrared spectra. Most earlier studies use scaled harmonic frequencies for band positions and the double harmonic approximation for intensities. However, recent high-resolution gas-phase experimental spectroscopic studies have shown that the harmonic approximation is not sufficient to reproduce experimental results. In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs, showing the importance of including anharmonicities into the theoretical calculations. In this paper, we continue this work by extending the study to include five non-linear PAHs (benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene), thereby allowing us to make a full assessment of how edge structure, symmetry, and size influence the effects of anharmonicities. The theoretical anharmonic spectra are compared to spectra obtained under matrix isolation low-temperature conditions, low-resolution, high-temperature gas-phase conditions, and high-resolution, low-temperature gas-phase conditions. Overall, excellent agreement is observed between the theoretical and experimental spectra although the experimental spectra show subtle but significant differences.
Molecular dynamics study of the conformational properties of cyclohexadecane

NASA Astrophysics Data System (ADS)

Zhang, Renshi; Mattice, Wayne L.

1993-06-01

Molecular dynamics has been used for the first time for the study of the conformational properties of cyclohexadecane, c-C16H32. By analyzing a long molecular dynamics trajectory (14.5 ns) at 450 K, equilibrium statistics such as the relative populations of different isomeric conformers and the probability ratios, p(gt)/p(tt), p(gg)/p(tt), and p(gg)/p(gtg), of different conformational segments, have been studied. The dynamic properties including the transition modes of gauche migration and gauche-pair creation, which have been reported before in n-alkanes, and the auto- and cross-correlations of the bond dihedral angles, have also been obtained. It was possible to make direct comparisons on some of the statistics with theory and experiment. Most of the results extracted from the molecular dynamics trajectory lie in between previously reported experimental and theoretical values. Many previously predicted conformers have been confirmed by our simulations. The results of the population probability of the most populated conformer seems to suggest that an earlier discrepancy between the theoretical works and an experimental work originates from insufficient samplings in earlier theoretical works, rather than from their inaccurate force field.
Numerical calculation of aerodynamics wind turbine blade S809 airfoil and comparison of theoretical calculations with experimental measurements and confirming with NREL data

NASA Astrophysics Data System (ADS)

Sogukpinar, Haci; Bozkurt, Ismail

2018-02-01

Aerodynamic performance of the airfoil plays the most important role to obtain economically maximum efficiency from a wind turbine. Therefore airfoil should have an ideal aerodynamic shape. In this study, aerodynamic simulation of S809 airfoil is conducted and obtained result compared with previously made NASA experimental result and NREL theoretical data. At first, Lift coefficient, lift to drag ratio and pressure coefficient around S809 airfoil are calculated with SST turbulence model, and are compared with experimental and other theoretical data to correlate simulation correctness of the computational approaches. And result indicates good correlation with both experimental and theoretical data. This calculation point out that as the increasing relative velocity, lift to drag ratio increases. Lift to drag ratio attain maximum at the angle around 6 degree and after that starts to decrease again. Comparison shows that CFD code used in this calculation can predict aerodynamic properties of airfoil.
A piecewise mass-spring-damper model of the human breast.

PubMed

Cai, Yiqing; Chen, Lihua; Yu, Winnie; Zhou, Jie; Wan, Frances; Suh, Minyoung; Chow, Daniel Hung-Kay

2018-01-23

Previous models to predict breast movement whilst performing physical activities have, erroneously, assumed uniform elasticity within the breast. Consequently, the predicted displacements have not yet been satisfactorily validated. In this study, real time motion capture of the natural vibrations of a breast that followed, after raising and allowing it to fall freely, revealed an obvious difference in the vibration characteristics above and below the static equilibrium position. This implied that the elastic and viscous damping properties of a breast could vary under extension or compression. Therefore, a new piecewise mass-spring-damper model of a breast was developed with theoretical equations to derive values for its spring constants and damping coefficients from free-falling breast experiments. The effective breast mass was estimated from the breast volume extracted from a 3D body scanned image. The derived spring constant (k a  = 73.5 N m -1 ) above the static equilibrium position was significantly smaller than that below it (k b  = 658 N m -1 ), whereas the respective damping coefficients were similar (c a  = 1.83 N s m -1 , c b  = 2.07 N s m -1 ). These values were used to predict the nipple displacement during bare-breasted running for validation. The predicted and experimental results had a 2.6% or less root-mean-square-error of the theoretical and experimental amplitudes, so the piecewise mass-spring-damper model and equations were considered to have been successfully validated. This provides a theoretical basis for further research into the dynamic, nonlinear viscoelastic properties of different breasts and the prediction of external forces for the necessary breast support during different sports activities. Copyright © 2017 Elsevier Ltd. All rights reserved.
Theoretical investigation on the soft X-ray spectrum of the highly-charged W54+ ions

NASA Astrophysics Data System (ADS)

Ding, Xiaobin; Yang, Jiaoxia; Koike, Fumihiro; Murakami, Izumi; Kato, Daiji; Sakaue, Hiroyuki A.; Nakamura, Nobuyuki; Dong, Chenzhong

2018-01-01

A detailed level collisional-radiative model of the E1 transition spectrum of Ca-like W54+ ion has been constructed. All the necessary atomic data has been calculated by relativistic configuration interaction (RCI) method with the implementation of Flexible Atomic Code (FAC). The results are in reasonable agreement with the available experimental and previous theoretical data. The synthetic spectrum has explained the EBIT spectrum in 29.5-32.5 Å , while several new strong transitions has been predicted to be observed in 18.5-19.6 Å for the future EBIT experiment with electron density ne = 1012 cm-3 and electron beam energy Ee = 18.2 keV.
Probing Gap Plasmons Down to Subnanometer Scales Using Collapsible Nanofingers

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

Song, Boxiang; Yao, Yuhan; Groenewald, Roelof E.

Gap plasmonic nanostructures are of great interest due to their ability to concentrate light into small volumes. Theoretical studies, considering quantum mechanical effects, have predicted the optimal spatial gap between adjacent nanoparticles to be in the subnanometer regime in order to achieve the strongest possible field enhancement. In this paper, we present a technology to fabricate gap plasmonic structures with subnanometer resolution, high reliability, and high throughput using collapsible nanofingers. This approach enables us to systematically investigate the effects of gap size and tunneling barrier height. Finally, the experimental results are consistent with previous findings as well as with amore » straightforward theoretical model that is presented here.« less
Probing Gap Plasmons Down to Subnanometer Scales Using Collapsible Nanofingers

DOE PAGES

Song, Boxiang; Yao, Yuhan; Groenewald, Roelof E.; ...

2017-06-09

Gap plasmonic nanostructures are of great interest due to their ability to concentrate light into small volumes. Theoretical studies, considering quantum mechanical effects, have predicted the optimal spatial gap between adjacent nanoparticles to be in the subnanometer regime in order to achieve the strongest possible field enhancement. In this paper, we present a technology to fabricate gap plasmonic structures with subnanometer resolution, high reliability, and high throughput using collapsible nanofingers. This approach enables us to systematically investigate the effects of gap size and tunneling barrier height. Finally, the experimental results are consistent with previous findings as well as with amore » straightforward theoretical model that is presented here.« less
First pure frequency measurement of an optical transition in helium: Lamb shift on the 23S1 metastable level

NASA Astrophysics Data System (ADS)

Pavone, F. S.; Marin, F.; de Natale, P.; Inguscio, M.; Biraben, F.

1994-07-01

The 23S1-33P40He transition at λ0=389 nm is measured with respect to a previously frequency calibrated 87Rb two-photon transition at 2λ0=778 nm. The 4He absolute frequency is 770 732 839 058 (190) kHz, with an accuracy of 2.4 parts in 1010. A Lamb shift value of +4057.61 (79) MHz, with 600 kHz uncertainty arising from the theoretical position of the 33P0 energy level, is extracted for the 23S1 level. This value is more than 2 orders of magnitude more accurate than the current best theoretical predictions.

The aerodynamic cost of flight in the short-tailed fruit bat (Carollia perspicillata): comparing theory with measurement

PubMed Central

von Busse, Rhea; Waldman, Rye M.; Swartz, Sharon M.; Voigt, Christian C.; Breuer, Kenneth S.

2014-01-01

Aerodynamic theory has long been used to predict the power required for animal flight, but widely used models contain many simplifications. It has been difficult to ascertain how closely biological reality matches model predictions, largely because of the technical challenges of accurately measuring the power expended when an animal flies. We designed a study to measure flight speed-dependent aerodynamic power directly from the kinetic energy contained in the wake of bats flying in a wind tunnel. We compared these measurements with two theoretical predictions that have been used for several decades in diverse fields of vertebrate biology and to metabolic measurements from a previous study using the same individuals. A high-accuracy displaced laser sheet stereo particle image velocimetry experimental design measured the wake velocities in the Trefftz plane behind four bats flying over a range of speeds (3–7 m s−1). We computed the aerodynamic power contained in the wake using a novel interpolation method and compared these results with the power predicted by Pennycuick's and Rayner's models. The measured aerodynamic power falls between the two theoretical predictions, demonstrating that the models effectively predict the appropriate range of flight power, but the models do not accurately predict minimum power or maximum range speeds. Mechanical efficiency—the ratio of aerodynamic power output to metabolic power input—varied from 5.9% to 9.8% for the same individuals, changing with flight speed. PMID:24718450
Applied quantum chemistry: Spectroscopic detection and characterization of the F{sub 2}BS and Cl{sub 2}BS free radicals in the gas phase

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

Jin, Bing; Clouthier, Dennis J., E-mail: dclaser@uky.edu; Sheridan, Phillip M.

2015-03-28

In this and previous work [D. J. Clouthier, J. Chem. Phys. 141, 244309 (2014)], the spectroscopic signatures of the X{sub 2}BY (X = H, halogen, Y = O, S) free radicals have been predicted using high level ab initio theory. The theoretical results have been used to calculate the electronic absorption and single vibronic level (SVL) emission spectra of the radicals under typical jet-cooled conditions. Using these diagnostic predictions, the previously unknown F{sub 2}BS and Cl{sub 2}BS free radicals have been identified and characterized. The radicals were prepared in a free jet expansion by subjecting precursor mixtures of BF{sub 3}more » or BCl{sub 3} and CS{sub 2} vapor to an electric discharge at the exit of a pulsed molecular beam valve. The B{sup ~2}A{sub 1}–X{sup ~} {sup 2}B{sub 2} laser-induced fluorescence spectra were found within 150 cm{sup −1} of their theoretically predicted positions with vibronic structure consistent with our Franck-Condon simulations. The B{sup ~2}A{sub 1} state emits down to the ground state and to the low-lying A{sup ~2}B{sub 1} excited state and the correspondence between the observed and theoretically derived SVL emission Franck-Condon profiles was used to positively identify the radicals and make assignments. Excited state Coriolis coupling effects complicate the emission spectra of both radicals. In addition, a forbidden component of the electronically allowed B{sup ~}–X{sup ~} band system of Cl{sub 2}BS is evident, as signaled by the activity in the b{sub 2} modes in the spectrum. Symmetry arguments indicate that this component gains intensity due to a vibronic interaction of the B{sup ~2}A{sub 1} state with a nearby electronic state of {sup 2}B{sub 2} symmetry.« less
Theoretical Analysis of Penalized Maximum-Likelihood Patlak Parametric Image Reconstruction in Dynamic PET for Lesion Detection.

PubMed

Yang, Li; Wang, Guobao; Qi, Jinyi

2016-04-01

Detecting cancerous lesions is a major clinical application of emission tomography. In a previous work, we studied penalized maximum-likelihood (PML) image reconstruction for lesion detection in static PET. Here we extend our theoretical analysis of static PET reconstruction to dynamic PET. We study both the conventional indirect reconstruction and direct reconstruction for Patlak parametric image estimation. In indirect reconstruction, Patlak parametric images are generated by first reconstructing a sequence of dynamic PET images, and then performing Patlak analysis on the time activity curves (TACs) pixel-by-pixel. In direct reconstruction, Patlak parametric images are estimated directly from raw sinogram data by incorporating the Patlak model into the image reconstruction procedure. PML reconstruction is used in both the indirect and direct reconstruction methods. We use a channelized Hotelling observer (CHO) to assess lesion detectability in Patlak parametric images. Simplified expressions for evaluating the lesion detectability have been derived and applied to the selection of the regularization parameter value to maximize detection performance. The proposed method is validated using computer-based Monte Carlo simulations. Good agreements between the theoretical predictions and the Monte Carlo results are observed. Both theoretical predictions and Monte Carlo simulation results show the benefit of the indirect and direct methods under optimized regularization parameters in dynamic PET reconstruction for lesion detection, when compared with the conventional static PET reconstruction.
Heat Capacity Anomaly Near the Lower Critical Consolute Point of Triethylamine-Water

NASA Technical Reports Server (NTRS)

Flewelling, Anne C.; DeFonseka, Rohan J.; Khaleeli, Nikfar; Partee, J.; Jacobs, D. T.

1996-01-01

The heat capacity of the binary liquid mixture triethylamine-water has been measured near its lower critical consolute point using a scanning, adiabatic calorimeter. Two data runs are analyzed to provide heat capacity and enthalpy data that are fitted by equations with background terms and a critical term that includes correction to scaling. The critical exponent a was determined to be 0.107 +/- 0.006, consistent with theoretical predictions. When alpha was fixed at 0.11 to determine various amplitudes consistently, our values of A(+) and A(-) agreed with a previous heat capacity measurement, but the value of A(-) was inconsistent with values determined by density or refractive index measurements. While our value for the amplitude ratio A(+)/ A(-) = 0.56 +/- 0.02 was consistent with other recent experimental determinations in binary liquid mixtures, it was slightly larger than either theoretical predictions or recent experimental values in liquid-vapor systems. The correction to scaling amplitude ratio D(+)/D(-) = 0.5 +/- 0.1 was half of that predicted. As a result of several more precise theoretical calculations and experimental determinations, the two-scale-factor universality ratio X, which we found to be 0.019 +/- 0.003, now is consistent among experiments and theories. A new 'universal' amplitude ratio R(sup +/-)(sub Bcr) involving the amplitudes for the specific heat was tested. Our determination of R(sup +/-)(sub Bcr) = -0.5 +/- 0.1 and R(sup -)(sub Bcr) = 1.1 +/- 0.1 is smaller in magnitude than predicted and is the first such determination in a binary fluid mixture.
Experimental and Theoretical Study of Heat Conduction for Air up to 5000 K

NASA Technical Reports Server (NTRS)

Peng, Tzy-Cheng; Ahtye, Warren F.

1961-01-01

The theoretical value of the integral of thermal conductivity is compared with the experimental values from shock-tube measurements. The particular case considered is the one-dimensional nonsteady flow of heat through air at constant pressure. This approach has been previously described in NASA TR R-27. experiment was uncertain because of the large scatter in the experimental data. In this paper, an attempt is made to improve the correlation by use of a more refined calculation of the integral of thermal conductivity, and by use of improved experimental techniques and instrumentation. As a result of these changes, a much closer correlation is shown between the experimental and theoretical heat-flux potentials. This indicates that the predicted values of the coefficient of thermal conductivity for high-temperature air may be suitably accurate for many engineering needs, up to the limits of the test (4600 K).
Experimental and Theoretical Study of Propeller Spinner/Shank Interference. M.S. Thesis

NASA Technical Reports Server (NTRS)

Cornell, C. C.

1986-01-01

A fundamental experimental and theoretical investigation into the aerodynamic interference associated with propeller spinner and shank regions was conducted. The research program involved a theoretical assessment of solutions previously proposed, followed by a systematic experimental study to supplement the existing data base. As a result, a refined computational procedure was established for prediction of interference effects in terms of interference drag and resolved into propeller thrust and torque components. These quantities were examined with attention to engineering parameters such as two spinner finess ratios, three blade shank forms, and two/three/four/six/eight blades. Consideration of the physics of the phenomena aided in the logical deduction of two individual interference quantities (cascade effects and spinner/shank juncture interference). These interference effects were semi-empirically modeled using existing theories and placed into a compatible form with an existing propeller performance scheme which provided the basis for examples of application.
Theoretical study of the diatomic alkali and alkaline-earth oxides

NASA Technical Reports Server (NTRS)

Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.

1986-01-01

Theoretical dissociation energies for the ground states of the alkali and alkaline earth oxides are presented that are believed to be accurate to 0.1 eV. The 2 Pi - 2 Sigma + separations for the alkali oxides are found to be more sensitive to basis set than to electron correlation. Predicted 2 Pi ground states for LiO and NaO and 2 Sigma + ground states for RbO and CsO are found to be in agreement with previous theoretical and experimental work. For KO, a 2 Sigma + state is found at both the numerical Hartree-Fock (NHF) level and at the singles plus doubles configuration interaction level using a Slater basis set that is within 0.02 eV of the NHF limit. It is found that an accurate balanced treatment of the two states requires correlating the electrons on both the metal and oxide ion.
The influence of polarization on millimeter wave propagation through rain. Ph.D Thesis. Interim Report

NASA Technical Reports Server (NTRS)

Wiley, P. H.; Bostian, C. W.; Stutzman, W. L.

1973-01-01

The influence of polarization on millimeter wave propagation is investigated from both an experimental and a theoretical viewpoint. First, previous theoretical and experimental work relating to the attenuation and depolarization of millimeter waves by rainfall is discussed. Considerable detail is included in the literature review. Next, a theoretical model is developed to predict the cross polarization level during rainfall from the path average rain rate and the scattered field from a single raindrop. Finally, data from the VPI and SU depolarization experiment are presented as verification of the new model, and a comparison is made with other theories and experiments. Aspects of the new model are: (1) spherical rather than plane waves are assumed, (2) the average drop diameter is used rather than a drop size distribution, and (3) it is simple enough so that the effect which changing one or more parameters has on the crosspolarization level is easily seen.
Partial glass isosymmetry transition in multiferroic hexagonal ErMn O 3

DOE PAGES

Barbour, A.; Alatas, A.; Liu, Y.; ...

2016-02-08

Ferroelectric transitions of a hexagonal multiferroic, ErMnO 3, are studied by x-ray scattering techniques. An isosymmetry transition, similar to that previously observed for YMnO 3, approximately 300 K below the well-known ferroic transition temperature is investigated. The partial glassy behavior of the isosymmetry transition is identified by appearance of quasi-elastic scattering lines in high-energy-resolution scans. The glassy behavior is further supported by the increased interlayer decorrelation of (√3×√3)R30º ordering below the isosymmetry transition. The transition behavior is considered for possible hidden sluggish modes and two-step phase transitions theoretically predicted for the stacked triangular antiferromagnets. The in-plane azimuthal (orientational) ordering behaviorsmore » were also compared to the theoretical predictions. Coherent x-ray speckle measurements show unambiguously that the domain sizes decrease anomalously near both the isosymmetry and ferroic transitions. However, domain boundary fluctuations increase monotonically with an Arrhenius form with an activation energy of 0.54(5) eV through both transitions.« less
Synthesis, Decay Properties, and Identification of Superheavy Nuclei Produced in 48Ca-induced Reactions

NASA Astrophysics Data System (ADS)

Oganessian, Yu. Ts.; Utyonkov, V. K.; Lobanov, Yu. V.; Abdullin, F. Sh.; Polyakov, A. N.; Sagaidak, R. N.; Shirokovsky, I. V.; Tsyganov, Yu. S.; Voinov, A. A.; Iliev, S.; Subbotin, V. G.; Sukhov, A. M.; Gulbekian, G. G.; Bogomolov, S. L.; Gikal, B. N.; Mezentsev, A. N.; Subotic, K.; Zagrebaev, V. I.; Itkis, M. G.; Moody, K. J.; Henderson, R. A.; Patin, J. B.; Shaughnessy, D. A.; Stoyer, M. A.; Stoyer, N. J.; Wilk, P. A.; Kenneally, J. M.; Landrum, J. H.; Wild, J. F.; Lougheed, R. W.

2007-10-01

Thirty-four new nuclides with Z = 104-116, 118 and N = 161-177 have been synthesized in the complete-fusion reactions of 238U, 237Np, 242,244Pu, 243Am, 245,248Cm, and 249Cf targets with 48Ca beams. The masses of evaporation residues were identified through measurements of the excitation functions of the xn-evaporation channels and from cross bombardments. The decay properties of the new nuclei agree with those of previously known heavy nuclei and with predictions from different theoretical models. A discussion of self-consistent interpretations of all observed decay chains originating from the parent isotopes 282,283112, 282113, 286-289114, 287,288115, 290-293116, and 294118 is presented. Decay energies and lifetimes of the neutron-rich superheavy nuclei as well as their production cross sections indicate a considerable increase in the stability of nuclei with the approach to the theoretically predicted nuclear shells with N = 184 and Z = 114.
Synthesis, Decay Properties, and Identification of Superheavy Nuclei Produced in 48CA-INDUCED Reactions

NASA Astrophysics Data System (ADS)

Oganessian, Yu. Ts.; Utyonkov, V. K.; Lobanov, Yu. V.; Abdullin, F. Sh.; Polyakov, A. N.; Sagaidak, R. N.; Shirokovsky, I. V.; Tsyganov, Yu. S.; Voinov, A. A.; Iliev, S.; Subbotin, V. G.; Sukhov, A. M.; Gulbekian, G. G.; Bogomolov, S. L.; Gikal, B. N.; Mezentsev, A. N.; Subotic, K.; Zagrebaev, V. I.; Itkis, M. G.; Moody, K. J.; Henderson, R. A.; Patin, J. B.; Shaughnessy, D. A.; Stoyer, M. A.; Stoyer, N. J.; Wilk, P. A.; Kenneally, J. M.; Landrum, J. H.; Wild, J. F.; Lougheed, R. W.

2008-04-01

Thirty-four new nuclides with Z = 104-116, 118 and N = 161-177 have been synthesized in the complete-fusion reactions of 238U, 237Np, 242,244Pu, 243Am, 245,248Cm, and 249Cf targets with 48Ca beams. The masses of evaporation residues were identified through measurements of the excitation functions of the xn-evaporation channels and from cross bombardments. The decay properties of the new nuclei agree with those of previously known heavy nuclei and with predictions from different theoretical models. A discussion of self-consistent interpretations of all observed decay chains originating from the parent isotopes 282,283112, 282113, 286-289114, 287,288115, 290-293116, and 294118 is presented. Decay energies and lifetimes of the neutron-rich superheavy nuclei as well as their production cross sections indicate a considerable increase in the stability of nuclei with the approach to the theoretically predicted nuclear shells with N = 184 and Z = 114.
Measurement of the Spin Relaxation Lifetime (T 1) in a One-Electron Strained-Si Accumulation-Mode Quantum Dot

NASA Astrophysics Data System (ADS)

Croke, Edward; Borselli, Matthew; Kiselev, Andrey; Deelman, Peter; Milosavljevic, Ivan; Alvarado-Rodriguez, Ivan; Ross, Richard; Schmitz, Adele; Gyure, Mark; Hunter, Andrew

2011-03-01

We report measurements of the spin-relaxation lifetime (T1) as a function of magnetic field in a strained-Si, accumulation-mode quantum dot. An integrated quantum-point contact (QPC) charge sensor was used to detect changes in dot occupancy as a function of bias applied to a single gate electrode. The addition spectra we obtained are consistent with theoretical predictions starting at N=0. The conductance of the charge sensor was measured by applying an AC voltage across the QPC and a 3 k Ω resistor. Lifetime measurements were conducted using a three-pulse technique consisting of a load, read, and flush sequence. T1 was measured by observing the decay of the spin bump amplitude as a function of the load pulse length. We measured decay times ranging from approximately 75 msec at 2T to 12 msec at 3T, consistent with previous reports and theoretical predictions. Sponsored by United States Department of Defense. Approved for Public Release, Distribution Unlimited.
Wettability and Flow Rate Impacts on Immiscible Displacement: A Theoretical Model

NASA Astrophysics Data System (ADS)

Hu, Ran; Wan, Jiamin; Yang, Zhibing; Chen, Yi-Feng; Tokunaga, Tetsu

2018-04-01

When a more viscous fluid displaces a less viscous one in porous media, viscous pressure drop stabilizes the displacement front against capillary pressure fluctuation. For this favorable viscous ratio conditions, previous studies focused on the front instability under slow flow conditions but did not address competing effects of wettability and flow rate. Here we study how this competition controls displacement patterns. We propose a theoretical model that describes the crossover from fingering to stable flow as a function of invading fluid contact angle θ and capillary number Ca. The phase diagram predicted by the model shows that decreasing θ stabilizes the displacement for θ≥45° and the critical contact angle θc increases with Ca. The boundary between corner flow and cooperative filling for θ < 45° is also described. This work extends the classic phase diagram and has potential applications in predicting CO2 capillary trapping and manipulating wettability to enhance gas/oil displacement efficiency.
Binding configurations and intramolecular strain in single-molecule devices.

PubMed

Rascón-Ramos, Habid; Artés, Juan Manuel; Li, Yuanhui; Hihath, Joshua

2015-05-01

The development of molecular-scale electronic devices has made considerable progress over the past decade, and single-molecule transistors, diodes and wires have all been demonstrated. Despite this remarkable progress, the agreement between theoretically predicted conductance values and those measured experimentally remains limited. One of the primary reasons for these discrepancies lies in the difficulty to experimentally determine the contact geometry and binding configuration of a single-molecule junction. In this Article, we apply a small-amplitude, high-frequency, sinusoidal mechanical signal to a series of single-molecule devices during junction formation and breakdown. By measuring the current response at this frequency, it is possible to determine the most probable binding and contact configurations for the molecular junction at room temperature in solution, and to obtain information about how an applied strain is distributed within the molecular junction. These results provide insight into the complex configuration of single-molecule devices, and are in excellent agreement with previous predictions from theoretical models.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Hawkins, C.A.

Tests of QED to order ..cap alpha../sup 4/ performed with the ASP detector at PEP are presented. Measurements have been made of exclusive e/sup +/e/sup -/e/sup +/e/sup -/, e/sup +/e/sup -/..gamma gamma.. and ..gamma gamma gamma gamma.. final states with all particles above 50 milliradians with respect to the e/sup +/e/sup -/ beam line. These measurements represent a significant increase in statistics over previous measurements. All measurements agree well with theoretical predictions. 5 refs., 1 tab.
Dual-band reactively loaded microstrip antenna

NASA Technical Reports Server (NTRS)

Richards, W. F.; Long, S. A.; Davidson, S. E.

1985-01-01

A previously derived theory is applied to a microstrip antenna with a reactive load to produce a dual-band radiator. A model consisting of a rectangular patch radiator loaded with a variable length short-circuited coaxial stub was investigated experimentally. Comparisons of theoretical predictions and experimental data are made for the impedance and resonant frequencies as a function of the position of the load, the length of the stub, and the characteristic impedance of the stub.
High intensity acoustic tests of a thermally stressed aluminum plate in TAFA

NASA Technical Reports Server (NTRS)

Ng, Chung Fai; Clevenson, Sherman A.

1989-01-01

An investigation was conducted in the Thermal Acoustic Fatigue Apparatus at the Langley Research Center to study the acoustically excited random motion of an aluminum plate which is buckled due to thermal stresses. The thermal buckling displacements were measured and compared with theory. The general trends of the changes in resonances frequencies and random responses of the plate agree with previous theoretical prediction and experimental results for a mechanically buckled plate.
Verification of Accelerated Testing Methodology for Long-Term Durability of CFRP Laminates for Marine Use

DTIC Science & Technology

2012-01-30

CFRP LAMINATES FOR MARINE USE Sa. CONTRACT NUMBER 5b. GRANT NUMBER N00014-06-1-1139 Sc. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Miyano, Yasushi...prediction of CFRP laminates proposed and confirmed experimentally in the previous ONR project of Grant # N000140110949 was verified theoretically and refined...DURABILITY OF CFRP LAMINATES FOR MARINE USE Principal Investigator Yasushi Miyano Co-principal Investigator Isao Kimpara Materials System
Predictors of Prosocial Behavior among Chinese High School Students in Hong Kong

PubMed Central

Siu, Andrew M. H.; Shek, Daniel T. L.; Lai, Frank H. Y.

2012-01-01

This study examined the correlates and predictors of prosocial behavior among Chinese adolescents in Hong Kong. A sample of 518 high school students responded to a questionnaire containing measures of antisocial and prosocial behavior, prosocial norms, pragmatic values, moral reasoning, and empathy. Preliminary analyses showed that there were gender differences in some of the measures. While correlation analyses showed that parental education, prosocial norms, pragmatic values, moral reasoning, and empathy were related to prosocial behavior, regression analyses showed that prosocial norms, pragmatic values, and empathy dimensions (personal distress and empathy) were key predictors of it. The findings are largely consistent with theoretical predictions and previous research findings, other than the negative relationship between personal distress and prosocial behavior. The study also underscores the importance of values and norms in predicting prosocial behavior, which has been largely neglected in previous studies. PMID:22919326
Estimation of viscous dissipation in nanodroplet impact and spreading

NASA Astrophysics Data System (ADS)

Li, Xin-Hao; Zhang, Xiang-Xiong; Chen, Min

2015-05-01

The developments in nanocoating and nanospray technology have resulted in the increasing importance of the impact of micro-/nanoscale liquid droplets on solid surface. In this paper, the impact of a nanodroplet on a flat solid surface is examined using molecular dynamics simulations. The impact velocity ranges from 58 m/s to 1044 m/s, in accordance with the Weber number ranging from 0.62 to 200.02 and the Reynolds number ranging from 0.89 to 16.14. The obtained maximum spreading factors are compared with previous models in the literature. The predicted results from the previous models largely deviate from our simulation results, with mean relative errors up to 58.12%. The estimated viscous dissipation is refined to present a modified theoretical model, which reduces the mean relative error to 15.12% in predicting the maximum spreading factor for cases of nanodroplet impact.

Dissociation rate of bromine diatomics in an argon heat bath

NASA Technical Reports Server (NTRS)

Razner, R.; Hopkins, D.

1973-01-01

The evolution of a collection of 300 K bromine diatomics embedded in a heat bath of argon atoms at 1800 K was studied by computer, and a dissociation-rate constant for the reaction Br2 + BR + Ar yields Br + Ar was determined. Previously published probability distributions for energy and angular momentum transfers in classical three-dimensional Br2-Ar collisions were used in conjunction with a newly developed Monte Carlo scheme for this purpose. Results are compared with experimental shock-tube data and the predictions of several other theoretical models. A departure from equilibrium is obtained which is significantly greater than that predicted by any of these other theories.
Brownian systems with spatially inhomogeneous activity

NASA Astrophysics Data System (ADS)

Sharma, A.; Brader, J. M.

2017-09-01

We generalize the Green-Kubo approach, previously applied to bulk systems of spherically symmetric active particles [J. Chem. Phys. 145, 161101 (2016), 10.1063/1.4966153], to include spatially inhomogeneous activity. The method is applied to predict the spatial dependence of the average orientation per particle and the density. The average orientation is given by an integral over the self part of the Van Hove function and a simple Gaussian approximation to this quantity yields an accurate analytical expression. Taking this analytical result as input to a dynamic density functional theory approximates the spatial dependence of the density in good agreement with simulation data. All theoretical predictions are validated using Brownian dynamics simulations.
Theoretical study of gas hydrate decomposition kinetics: model predictions.

PubMed

Windmeier, Christoph; Oellrich, Lothar R

2013-11-27

In order to provide an estimate of intrinsic gas hydrate dissolution and dissociation kinetics, the Consecutive Desorption and Melting Model (CDM) was developed in a previous publication (Windmeier, C.; Oellrich, L. R. J. Phys. Chem. A 2013, 117, 10151-10161). In this work, an extensive summary of required model data is given. Obtained model predictions are discussed with respect to their temperature dependence as well as their significance for technically relevant areas of gas hydrate decomposition. As a result, an expression for determination of the intrinsic gas hydrate decomposition kinetics for various hydrate formers is given together with an estimate for the maximum possible rates of gas hydrate decomposition.
The growth of business firms: theoretical framework and empirical evidence.

PubMed

Fu, Dongfeng; Pammolli, Fabio; Buldyrev, S V; Riccaboni, Massimo; Matia, Kaushik; Yamasaki, Kazuko; Stanley, H Eugene

2005-12-27

We introduce a model of proportional growth to explain the distribution P(g)(g) of business-firm growth rates. The model predicts that P(g)(g) is exponential in the central part and depicts an asymptotic power-law behavior in the tails with an exponent zeta = 3. Because of data limitations, previous studies in this field have been focusing exclusively on the Laplace shape of the body of the distribution. In this article, we test the model at different levels of aggregation in the economy, from products to firms to countries, and we find that the predictions of the model agree with empirical growth distributions and size-variance relationships.
Optimal information transfer in enzymatic networks: A field theoretic formulation

NASA Astrophysics Data System (ADS)

Samanta, Himadri S.; Hinczewski, Michael; Thirumalai, D.

2017-07-01

Signaling in enzymatic networks is typically triggered by environmental fluctuations, resulting in a series of stochastic chemical reactions, leading to corruption of the signal by noise. For example, information flow is initiated by binding of extracellular ligands to receptors, which is transmitted through a cascade involving kinase-phosphatase stochastic chemical reactions. For a class of such networks, we develop a general field-theoretic approach to calculate the error in signal transmission as a function of an appropriate control variable. Application of the theory to a simple push-pull network, a module in the kinase-phosphatase cascade, recovers the exact results for error in signal transmission previously obtained using umbral calculus [Hinczewski and Thirumalai, Phys. Rev. X 4, 041017 (2014), 10.1103/PhysRevX.4.041017]. We illustrate the generality of the theory by studying the minimal errors in noise reduction in a reaction cascade with two connected push-pull modules. Such a cascade behaves as an effective three-species network with a pseudointermediate. In this case, optimal information transfer, resulting in the smallest square of the error between the input and output, occurs with a time delay, which is given by the inverse of the decay rate of the pseudointermediate. Surprisingly, in these examples the minimum error computed using simulations that take nonlinearities and discrete nature of molecules into account coincides with the predictions of a linear theory. In contrast, there are substantial deviations between simulations and predictions of the linear theory in error in signal propagation in an enzymatic push-pull network for a certain range of parameters. Inclusion of second-order perturbative corrections shows that differences between simulations and theoretical predictions are minimized. Our study establishes that a field theoretic formulation of stochastic biological signaling offers a systematic way to understand error propagation in networks of arbitrary complexity.
Effects of viscosity and constraints on the dispersion and dissipation of waves in large blood vessels. II.

NASA Technical Reports Server (NTRS)

Jones, E.; Anliker, M.; Chang, I.

1971-01-01

Comparison of previously described theoretical predictions with in vivo data from anesthetized dogs. It is shown that the observed attenuation of the pressure and axial waves cannot be accounted for by fluid viscosity alone. For large values of the frequency parameter alpha, the previous analysis is extended to include the effects of viscoelasticity of the vessel wall. The results indicate that the speeds of both types of waves are essentially unaffected by a realistic viscoelasticity model while the attenuation per wavelength is significantly increased and becomes frequency independent. There is fair agreement between theory and experiment.
Large-Amplitude Deformation and Bond Breakage in Shock-Induced Reactions of Explosive Molecules

NASA Astrophysics Data System (ADS)

Kay, Jeffrey

The response of explosive molecules to large-amplitude mechanical deformation plays an important role in shock-induced reactions and the initiation of detonation in explosive materials. In this presentation, the response of a series of explosive molecules (nitromethane, 2,4,6-trinitrotoluene [TNT], and 2,4,6-triamino-1,3,5-trinitrobenzene [TATB]) to a variety of large-amplitude deformations are examined using ab initio quantum chemical calculations. Large-amplitude motions that result in bond breakage are described, and the insights these results provide into both previous experimental observations and previous theoretical predictions of shock-induced reactions are discussed.
Independent measurement of the Hoyle state β feeding from B 12 using Gammasphere

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

Munch, M.; Alcorta, M.; Fynbo, H. O. U.

2016-06-01

Using an array of high-purity Compton-suppressed germanium detectors, we performed an independent measurement of the beta-decay branching ratio from B-12 to the second-excited state, also known as the Hoyle state, in C-12. Our result is 0.64(11)%, which is a factor similar to 2 smaller than the previously established literature value, but is in agreement with another recent measurement. This could indicate that the Hoyle state is more clustered than previously believed. The angular correlation of the Hoyle state. cascade has also been measured for the first time. It is consistent with theoretical predictions.
New experimental stopping power data of 4He, 16O, 40Ar, 48Ca and 84Kr projectiles in different solid materials

NASA Astrophysics Data System (ADS)

Trzaska, W. H.; Knyazheva, G. N.; Perkowski, J.; Andrzejewski, J.; Khlebnikov, S. V.; Kozulin, E. M.; Malkiewicz, T.; Mutterer, M.; Savelieva, E. O.

2018-03-01

New experimental data on energy loss of 4He, 16O, 40Ar, 48Ca and 84Kr ions in thin, self-supporting foils of C, Al, Ni, Ag, Lu, Au, Pb and Th are presented. The measurements, using the TOF-E method, were done in a very broad energy range around the stopping power maximum; typically from 0.1 to 11 MeV/u. When available, the extracted stopping power values are compared with the previously published data. The overall agreement is good although a fair comparison is difficult as the covered energy range is much larger than in previous measurements. The small error bars and a broad coverage allowed us to test the predictions of theoretical codes: PASS, CasP, and semi-empirical programs: SRIM, LET, MSTAR, and the Hubert table predictions. The deviations of PASS predictions from the experimental data do not exceed 20% for all the measured combinations. CasP predictions are within 15% from the data for heavier ions but diverge up to 40% for lighter ions. Semi-empirical approaches, including SRIM, deviate from the experimental data by less than 5% for the regions already covered by previous experiments but err by about 10-20% for the ion/target combinations that were not measured before: Ca in Lu as well as Kr in Lu, Pb, and Th.
On the vibrational spectra and structural parameters of methyl, silyl, and germyl azide from theoretical predictions and experimental data.

PubMed

Durig, Douglas T; Durig, M S; Durig, James R

2005-05-01

The infrared and Raman spectra of methyl, silyl, and germyl azide (XN3 where X=CH3, SiH3 and GeH3) have been predicted from ab initio calculations with full electron correlation by second order perturbation theory (MP2) and hybrid density function theory (DFT) by the B3LYP method with a variety of basis sets. These predicted data are compared to previously reported experimental data and complete vibrational assignments are provided for all three molecules. It is shown that several of the assignments recently proposed [J. Mol. Struct. (Theochem.) 434 (1998) 1] for methyl azide are not correct. Structural parameters for CH3N3 and GeH3N3 have been obtained by combining the previously reported microwave rotational constants with the ab initio MP2/6-311+G(d,p) predicted values. These "adjusted r0" parameters have very small uncertainties of +/-0.003 A for the XH distances and a maximum of +/-0.005 A for the heavy atom distances and +/-0.5 degrees for the angles. The predicted distance for the terminal NN bond which is nearly a triple bond is much better predicted by the B3LYP calculations, whereas the fundamental frequencies are better predicted by the scaled ab initio calculations. The results are discussed and compared to those obtained for some similar molecules.
Brownian motion with adaptive drift for remaining useful life prediction: Revisited

NASA Astrophysics Data System (ADS)

Wang, Dong; Tsui, Kwok-Leung

2018-01-01

Linear Brownian motion with constant drift is widely used in remaining useful life predictions because its first hitting time follows the inverse Gaussian distribution. State space modelling of linear Brownian motion was proposed to make the drift coefficient adaptive and incorporate on-line measurements into the first hitting time distribution. Here, the drift coefficient followed the Gaussian distribution, and it was iteratively estimated by using Kalman filtering once a new measurement was available. Then, to model nonlinear degradation, linear Brownian motion with adaptive drift was extended to nonlinear Brownian motion with adaptive drift. However, in previous studies, an underlying assumption used in the state space modelling was that in the update phase of Kalman filtering, the predicted drift coefficient at the current time exactly equalled the posterior drift coefficient estimated at the previous time, which caused a contradiction with the predicted drift coefficient evolution driven by an additive Gaussian process noise. In this paper, to alleviate such an underlying assumption, a new state space model is constructed. As a result, in the update phase of Kalman filtering, the predicted drift coefficient at the current time evolves from the posterior drift coefficient at the previous time. Moreover, the optimal Kalman filtering gain for iteratively estimating the posterior drift coefficient at any time is mathematically derived. A discussion that theoretically explains the main reasons why the constructed state space model can result in high remaining useful life prediction accuracies is provided. Finally, the proposed state space model and its associated Kalman filtering gain are applied to battery prognostics.
Experimental and theoretical analysis of defocused CO2 laser microchanneling on PMMA for enhanced surface finish

NASA Astrophysics Data System (ADS)

Prakash, Shashi; Kumar, Subrata

2017-02-01

The poor surface finish of CO2 laser-micromachined microchannel walls is a major limitation of its utilization despite several key advantages, like low fabrication cost and low time consumption. Defocused CO2 laser beam machining is an effective solution for fabricating smooth microchannel walls on polymer and glass substrates. In this research work, the CO2 laser microchanneling process on PMMA has been analyzed at different beam defocus positions. Defocused processing has been investigated both theoretically and experimentally, and the depth of focus and beam diameter have been determined experimentally. The effect of beam defocusing on the microchannel width, depth, surface roughness, heat affected zone and microchannel profile were examined. A previously developed analytical model for microchannel depth prediction has been improved by incorporating the threshold energy density factor. A semi-analytical model for predicting the microchannel width at different defocus positions has been developed. A semi-empirical model has also been developed for predicting microchannel widths at different defocusing conditions for lower depth values. The developed models were compared and verified by performing actual experiments. Multi-objective optimization was performed to select the best optimum set of input parameters for achieving the desired surface roughness.
The evolution of sexes: A specific test of the disruptive selection theory.

PubMed

da Silva, Jack

2018-01-01

The disruptive selection theory of the evolution of anisogamy posits that the evolution of a larger body or greater organismal complexity selects for a larger zygote, which in turn selects for larger gametes. This may provide the opportunity for one mating type to produce more numerous, small gametes, forcing the other mating type to produce fewer, large gametes. Predictions common to this and related theories have been partially upheld. Here, a prediction specific to the disruptive selection theory is derived from a previously published game-theoretic model that represents the most complete description of the theory. The prediction, that the ratio of macrogamete to microgamete size should be above three for anisogamous species, is supported for the volvocine algae. A fully population genetic implementation of the model, involving mutation, genetic drift, and selection, is used to verify the game-theoretic approach and accurately simulates the evolution of gamete sizes in anisogamous species. This model was extended to include a locus for gamete motility and shows that oogamy should evolve whenever there is costly motility. The classic twofold cost of sex may be derived from the fitness functions of these models, showing that this cost is ultimately due to genetic conflict.
Frontal Theta Reflects Uncertainty and Unexpectedness during Exploration and Exploitation

PubMed Central

Figueroa, Christina M.; Cohen, Michael X; Frank, Michael J.

2012-01-01

In order to understand the exploitation/exploration trade-off in reinforcement learning, previous theoretical and empirical accounts have suggested that increased uncertainty may precede the decision to explore an alternative option. To date, the neural mechanisms that support the strategic application of uncertainty-driven exploration remain underspecified. In this study, electroencephalography (EEG) was used to assess trial-to-trial dynamics relevant to exploration and exploitation. Theta-band activities over middle and lateral frontal areas have previously been implicated in EEG studies of reinforcement learning and strategic control. It was hypothesized that these areas may interact during top-down strategic behavioral control involved in exploratory choices. Here, we used a dynamic reward–learning task and an associated mathematical model that predicted individual response times. This reinforcement-learning model generated value-based prediction errors and trial-by-trial estimates of exploration as a function of uncertainty. Mid-frontal theta power correlated with unsigned prediction error, although negative prediction errors had greater power overall. Trial-to-trial variations in response-locked frontal theta were linearly related to relative uncertainty and were larger in individuals who used uncertainty to guide exploration. This finding suggests that theta-band activities reflect prefrontal-directed strategic control during exploratory choices. PMID:22120491
Design and performance analysis of gas and liquid radial turbines

NASA Astrophysics Data System (ADS)

Tan, Xu

In the first part of the research, pumps running in reverse as turbines are studied. This work uses experimental data of wide range of pumps representing the centrifugal pumps' configurations in terms of specific speed. Based on specific speed and specific diameter an accurate correlation is developed to predict the performances at best efficiency point of the centrifugal pump in its turbine mode operation. The proposed prediction method yields very good results to date compared to previous such attempts. The present method is compared to nine previous methods found in the literature. The comparison results show that the method proposed in this paper is the most accurate. The proposed method can be further complemented and supplemented by more future tests to increase its accuracy. The proposed method is meaningful because it is based both specific speed and specific diameter. The second part of the research is focused on the design and analysis of the radial gas turbine. The specification of the turbine is obtained from the solar biogas hybrid system. The system is theoretically analyzed and constructed based on the purchased compressor. Theoretical analysis results in a specification of 100lb/min, 900ºC inlet total temperature and 1.575atm inlet total pressure. 1-D and 3-D geometry of the rotor is generated based on Aungier's method. 1-D loss model analysis and 3-D CFD simulations are performed to examine the performances of the rotor. The total-to-total efficiency of the rotor is more than 90%. With the help of CFD analysis, modifications on the preliminary design obtained optimized aerodynamic performances. At last, the theoretical performance analysis on the hybrid system is performed with the designed turbine.
The puzzle of the CNO isotope ratios in asymptotic giant branch carbon stars

NASA Astrophysics Data System (ADS)

Abia, C.; Hedrosa, R. P.; Domínguez, I.; Straniero, O.

2017-03-01

Context. The abundance ratios of the main isotopes of carbon, nitrogen and oxygen are modified by the CNO-cycle in the stellar interiors. When the different dredge-up events mix the burning material with the envelope, valuable information on the nucleosynthesis and mixing processes can be extracted by measuring these isotope ratios. Aims: Previous determinations of the oxygen isotopic ratios in asymptotic giant branch (AGB) carbon stars were at odds with the existing theoretical predictions. We aim to redetermine the oxygen ratios in these stars using new spectral analysis tools and further develop discussions on the carbon and nitrogen isotopic ratios in order to elucidate this problem. Methods: Oxygen isotopic ratios were derived from spectra in the K-band in a sample of galactic AGB carbon stars of different spectral types and near solar metallicity. Synthetic spectra calculated in local thermodynamic equillibrium (LTE) with spherical carbon-rich atmosphere models and updated molecular line lists were used. The CNO isotope ratios derived in a homogeneous way, were compared with theoretical predictions for low-mass (1.5-3 M⊙) AGB stars computed with the FUNS code assuming extra mixing both during the RGB and AGB phases. Results: For most of the stars the 16O/17O/18O ratios derived are in good agreement with theoretical predictions confirming that, for AGB stars, are established using the values reached after the first dredge-up (FDU) according to the initial stellar mass. This fact, as far as the oxygen isotopic ratios are concerned, leaves little space for the operation of any extra mixing mechanism during the AGB phase. Nevertheless, for a few stars with large 16O/17O/18O, the operation of such a mechanism might be required, although their observed 12C/13C and 14N/15N ratios would be difficult to reconcile within this scenario. Furthermore, J-type stars tend to have lower 16O/17O ratios than the normal carbon stars, as already indicated in previous studies. Excluding these peculiar stars, AGB carbon stars occupy the same region as pre-solar type I oxide grains in a 17O/16O vs. 18O/16O diagram, showing little spread. This reinforces the idea that these grains were probably formed in low-mass stars during the previous O-rich phases.
Hadronic vacuum polarization in true muonium

NASA Astrophysics Data System (ADS)

Lamm, Henry

2017-01-01

In order to reduce the theoretical uncertainty in the prediction, the leading-order hadronic vacuum polarization contribution to the hyperfine splitting of true muonium is reevaluated in two ways. A more complex pionic form factor and better estimates of the perturbative QCD contributions are used to study the model dependence of the previous calculation. The second, more accurate method directly integrates the Drell ratio R (s ) to obtain C1 ,HVP=-0.04874 (9 ) . This corresponds to an energy shift in the hyperfine splitting (HFS) of Δ EHFS,HVP μ=-8202 (16 ) MHz and represents a factor-of-50 reduction in the theoretical uncertainty from hadronic sources. We also compute the contribution in positronium, which is too small at present to detect.
Wavelength selection in injection-driven Hele-Shaw flows: A maximum amplitude criterion

NASA Astrophysics Data System (ADS)

Dias, Eduardo; Miranda, Jose

2013-11-01

As in most interfacial flow problems, the standard theoretical procedure to establish wavelength selection in the viscous fingering instability is to maximize the linear growth rate. However, there are important discrepancies between previous theoretical predictions and existing experimental data. In this work we perform a linear stability analysis of the radial Hele-Shaw flow system that takes into account the combined action of viscous normal stresses and wetting effects. Most importantly, we introduce an alternative selection criterion for which the selected wavelength is determined by the maximum of the interfacial perturbation amplitude. The effectiveness of such a criterion is substantiated by the significantly improved agreement between theory and experiments. We thank CNPq (Brazilian Sponsor) for financial support.
Predicting dynamic range and intensity discrimination for electrical pulse-train stimuli using a stochastic auditory nerve model: the effects of stimulus noise.

PubMed

Xu, Yifang; Collins, Leslie M

2005-06-01

This work investigates dynamic range and intensity discrimination for electrical pulse-train stimuli that are modulated by noise using a stochastic auditory nerve model. Based on a hypothesized monotonic relationship between loudness and the number of spikes elicited by a stimulus, theoretical prediction of the uncomfortable level has previously been determined by comparing spike counts to a fixed threshold, Nucl. However, no specific rule for determining Nucl has been suggested. Our work determines the uncomfortable level based on the excitation pattern of the neural response in a normal ear. The number of fibers corresponding to the portion of the basilar membrane driven by a stimulus at an uncomfortable level in a normal ear is related to Nucl at an uncomfortable level of the electrical stimulus. Intensity discrimination limens are predicted using signal detection theory via the probability mass function of the neural response and via experimental simulations. The results show that the uncomfortable level for pulse-train stimuli increases slightly as noise level increases. Combining this with our previous threshold predictions, we hypothesize that the dynamic range for noise-modulated pulse-train stimuli should increase with additive noise. However, since our predictions indicate that intensity discrimination under noise degrades, overall intensity coding performance may not improve significantly.
On the limits of probabilistic forecasting in nonlinear time series analysis II: Differential entropy.

PubMed

Amigó, José M; Hirata, Yoshito; Aihara, Kazuyuki

2017-08-01

In a previous paper, the authors studied the limits of probabilistic prediction in nonlinear time series analysis in a perfect model scenario, i.e., in the ideal case that the uncertainty of an otherwise deterministic model is due to only the finite precision of the observations. The model consisted of the symbolic dynamics of a measure-preserving transformation with respect to a finite partition of the state space, and the quality of the predictions was measured by the so-called ignorance score, which is a conditional entropy. In practice, though, partitions are dispensed with by considering numerical and experimental data to be continuous, which prompts us to trade off in this paper the Shannon entropy for the differential entropy. Despite technical differences, we show that the core of the previous results also hold in this extended scenario for sufficiently high precision. The corresponding imperfect model scenario will be revisited too because it is relevant for the applications. The theoretical part and its application to probabilistic forecasting are illustrated with numerical simulations and a new prediction algorithm.

Misalignment Effect Function Measurement for Oblique Rotation Axes: Counterintuitive Predictions and Theoretical Extensions

NASA Technical Reports Server (NTRS)

Ellis, Stephen R.; Adelstein, Bernard D.; Yeom, Kiwon

2013-01-01

The Misalignment Effect Function (MEF) describes the decrement in manual performance associated with a rotation between operators' visual display frame of reference and that of their manual control. It now has been empirically determined for rotation axes oblique to canonical body axes and is compared with the MEF previously measured for rotations about canonical axes. A targeting rule, called the Secant Rule, based on these earlier measurements is derived from a hypothetical process and shown to describe some of the data from three previous experiments. It explains the motion trajectories determined for rotations less than 65deg in purely kinematic terms without the need to appeal to a mental rotation process. Further analysis of this rule in three dimensions applied to oblique rotation axes leads to a somewhat surprising expectation that the difficulty posed by rotational misalignment should get harder as the required movement is shorter. This prediction is confirmed. Geometry underlying this rule also suggests analytic extensions for predicting more generally the difficulty of making movements in arbitrary directions subject to arbitrary misalignments.
Using synthetic biology to make cells tomorrow's test tubes.

PubMed

Garcia, Hernan G; Brewster, Robert C; Phillips, Rob

2016-04-18

The main tenet of physical biology is that biological phenomena can be subject to the same quantitative and predictive understanding that physics has afforded in the context of inanimate matter. However, the inherent complexity of many of these biological processes often leads to the derivation of complex theoretical descriptions containing a plethora of unknown parameters. Such complex descriptions pose a conceptual challenge to the establishment of a solid basis for predictive biology. In this article, we present various exciting examples of how synthetic biology can be used to simplify biological systems and distill these phenomena down to their essential features as a means to enable their theoretical description. Here, synthetic biology goes beyond previous efforts to engineer nature and becomes a tool to bend nature to understand it. We discuss various recent and classic experiments featuring applications of this synthetic approach to the elucidation of problems ranging from bacteriophage infection, to transcriptional regulation in bacteria and in developing embryos, to evolution. In all of these examples, synthetic biology provides the opportunity to turn cells into the equivalent of a test tube, where biological phenomena can be reconstituted and our theoretical understanding put to test with the same ease that these same phenomena can be studied in the in vitro setting.
Solution of magnetic field and eddy current problem induced by rotating magnetic poles (abstract)

NASA Astrophysics Data System (ADS)

Liu, Z. J.; Low, T. S.

1996-04-01

The magnetic field and eddy current problems induced by rotating permanent magnet poles occur in electromagnetic dampers, magnetic couplings, and many other devices. Whereas numerical techniques, for example, finite element methods can be exploited to study various features of these problems, such as heat generation and drag torque development, etc., the analytical solution is always of interest to the designers since it helps them to gain the insight into the interdependence of the parameters involved and provides an efficient tool for designing. Some of the previous work showed that the solution of the eddy current problem due to the linearly moving magnet poles can give satisfactory approximation for the eddy current problem due to rotating fields. However, in many practical cases, especially when the number of magnet poles is small, there is significant effect of flux focusing due to the geometry. The above approximation can therefore lead to marked errors in the theoretical predictions of the device performance. Bernot et al. recently described an analytical solution in a polar coordinate system where the radial field is excited by a time-varying source. A discussion of an analytical solution of the magnetic field and eddy current problems induced by moving magnet poles in radial field machines will be given in this article. The theoretical predictions obtained from this method is compared with the results obtained from finite element calculations. The validity of the method is also checked by the comparison of the theoretical predictions and the measurements from a test machine. It is shown that the introduced solution leads to a significant improvement in the air gap field prediction as compared with the results obtained from the analytical solution that models the eddy current problems induced by linearly moving magnet poles.
How HEXACO Personality Traits Predict Different Selfie-Posting Behaviors among Adolescents and Young Adults

PubMed Central

Baiocco, Roberto; Chirumbolo, Antonio; Bianchi, Dora; Ioverno, Salvatore; Morelli, Mara; Nappa, Maria R.

2017-01-01

Selfies are self-portrait photos shared on Social Networks. Previous literature has investigated how personality traits, and specifically narcissism, are associated with selfie-posting behaviors. In this contribution we investigated how selfie-posting behaviors are predicted by the six HEXACO personality traits, controlling for age, gender and sexual orientation. The Kinsey scale, three questions about the frequency of own selfies, group selfies and selfies with partner, and 60-item HEXACO Personality Inventory-Revised were administered to 750 young people from 13 to 30 years. Females, adolescents and not-exclusively heterosexual people posted more own selfies, and adolescents posted also more group selfies and selfies with partner. Moreover, lower Honesty/Humility, lower Conscientiousness, higher Emotionality and higher Extraversion significantly predict own selfies and group selfies. Finally, only lower Honesty/Humility and higher Emotionality predict selfies with partner. Theoretical and practical implications are provided. PMID:28119662
From the Cover: The growth of business firms: Theoretical framework and empirical evidence

NASA Astrophysics Data System (ADS)

Fu, Dongfeng; Pammolli, Fabio; Buldyrev, S. V.; Riccaboni, Massimo; Matia, Kaushik; Yamasaki, Kazuko; Stanley, H. Eugene

2005-12-01

We introduce a model of proportional growth to explain the distribution Pg(g) of business-firm growth rates. The model predicts that Pg(g) is exponential in the central part and depicts an asymptotic power-law behavior in the tails with an exponent = 3. Because of data limitations, previous studies in this field have been focusing exclusively on the Laplace shape of the body of the distribution. In this article, we test the model at different levels of aggregation in the economy, from products to firms to countries, and we find that the predictions of the model agree with empirical growth distributions and size-variance relationships. proportional growth | preferential attachment | Laplace distribution
An Experimental Study of Pressure Oscillation in a Capillary Pumped Loop with Multiple Evaporators and Condensers

NASA Technical Reports Server (NTRS)

Ku, Jen-Tung; Hoang, Triem T.

1998-01-01

The heat transport capability of a capillary pumped loop (CPL) is limited by the pressure drop that its evaporator wick can sustain. The pressure drop in a CPL is not constant even under seemingly steady operation, but rather exhibits an oscillatory behavior. A hydrodynamic theory based on a mass-spring-dashpot model was previously developed to predict the pressure oscillation in a CPL with a single evaporator and a single condenser. The theory states that the pressure oscillation is a function of physical dimensions of the CPL components and operating conditions. Experimental data agreed very well with theoretical predictions. The hydrodynamic stability theory has recently been extended to predict the pressure oscillations in CPLs with multiple evaporators and multiple condensers. Concurrently, an experimental study was conducted to verify the theory and to investigate the effects of various parameters on the pressure oscillation. Four evaporators with different wick properties were tested using a test loop containing two condenser plates. The test loop allowed the four evaporators to be tested in a single-pump, two-pump or four-pump configuration, and the two condenser plates to be plumbed either in parallel or in series. Test conditions included varying the power input, the reservoir set point temperature, the condenser sink temperature, and the flow resistance between the reservoir and the loop. Experimental results agreed well with theoretical predictions.
A numerical model for ocean ultra-low frequency noise: wave-generated acoustic-gravity and Rayleigh modes.

PubMed

Ardhuin, Fabrice; Lavanant, Thibaut; Obrebski, Mathias; Marié, Louis; Royer, Jean-Yves; d'Eu, Jean-François; Howe, Bruce M; Lukas, Roger; Aucan, Jerome

2013-10-01

The generation of ultra-low frequency acoustic noise (0.1 to 1 Hz) by the nonlinear interaction of ocean surface gravity waves is well established. More controversial are the quantitative theories that attempt to predict the recorded noise levels and their variability. Here a single theoretical framework is used to predict the noise level associated with propagating pseudo-Rayleigh modes and evanescent acoustic-gravity modes. The latter are dominant only within 200 m from the sea surface, in shallow or deep water. At depths larger than 500 m, the comparison of a numerical noise model with hydrophone records from two open-ocean sites near Hawaii and the Kerguelen islands reveal: (a) Deep ocean acoustic noise at frequencies 0.1 to 1 Hz is consistent with the Rayleigh wave theory, in which the presence of the ocean bottom amplifies the noise by 10 to 20 dB; (b) in agreement with previous results, the local maxima in the noise spectrum support the theoretical prediction for the vertical structure of acoustic modes; and (c) noise level and variability are well predicted for frequencies up to 0.4 Hz. Above 0.6 Hz, the model results are less accurate, probably due to the poor estimation of the directional properties of wind-waves with frequencies higher than 0.3 Hz.
The anharmonic quartic force field infrared spectra of hydrogenated and methylated PAHs.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2018-01-03

Polycyclic aromatic hydrocarbons (PAHs) have been shown to be ubiquitous in a large variety of distinct astrophysical environments and are therefore of great interest to astronomers. The majority of these findings are based on theoretically predicted spectra, which make use of scaled DFT harmonic frequencies for band positions and the double harmonic approximation for intensities. However, these approximations have been shown to fail at predicting high-resolution gas-phase infrared spectra accurately, especially in the CH-stretching region (2950-3150 cm -1 , 3 μm). This is particularly worrying for the subset of hydrogenated or methylated PAHs to which astronomers attribute the observed non-aromatic features that appear in the CH-stretching region of spectral observations of the interstellar medium (ISM). In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs and five non-linear PAHs, demonstrating the importance of including anharmonicities into theoretical calculations. In this work we extend these techniques to two methylated PAHs (9-methylanthracene, and 9,10-dimethylanthracene) and four hydrogenated PAHs (9,10-dihydroanthracene, 9,10-dihydrophenanthrene, 1,2,3,4-tetrahydronaphthalene, and 1,2,3,6,7,8-hexahydropyrene) in order to better understand the aliphatic IR features of substituted PAHs. The theoretical spectra are compared with the spectra obtained under matrix isolation low-temperature conditions for the full vibrational fundamental range and under high-resolution, low-temperature gas-phase conditions for the CH-stretching region. Excellent agreement is observed between the theoretical and high-resolution experimental spectra with a deviation of 0.00% ± 0.17%, and changes to the spectra of PAHs upon methylation and hydrogenated are tracked accurately and explained.
Investigation of structural stability and elastic properties of CrH and MnH: A first principles study

NASA Astrophysics Data System (ADS)

Kanagaprabha, S.; Rajeswarapalanichamy, R.; Sudhapriyanga, G.; Murugan, A.; Santhosh, M.; Iyakutti, K.

2015-06-01

The structural and mechanical properties of CrH and MnH are investigated using first principles calculation based on density functional theory as implemented in VASP code with generalized gradient approximation. The calculated ground state properties are in good agreement with previous experimental and other theoretical results. A structural phase transition from NaCl to NiAs phase at a pressure of 76 GPa is predicted for both CrH and MnH.
Network control principles predict neuron function in the Caenorhabditis elegans connectome

PubMed Central

Chew, Yee Lian; Walker, Denise S.; Schafer, William R.; Barabási, Albert-László

2017-01-01

Recent studies on the controllability of complex systems offer a powerful mathematical framework to systematically explore the structure-function relationship in biological, social and technological networks1–3. Despite theoretical advances, we lack direct experimental proof of the validity of these widely used control principles. Here we fill this gap by applying a control framework to the connectome of the nematode C. elegans4–6, allowing us to predict the involvement of each C. elegans neuron in locomotor behaviours. We predict that control of the muscles or motor neurons requires twelve neuronal classes, which include neuronal groups previously implicated in locomotion by laser ablation7–13, as well as one previously uncharacterised neuron, PDB. We validate this prediction experimentally, finding that the ablation of PDB leads to a significant loss of dorsoventral polarity in large body bends. Importantly, control principles also allow us to investigate the involvement of individual neurons within each neuronal class. For example, we predict that, within the class of DD motor neurons, only three (DD04, DD05, or DD06) should affect locomotion when ablated individually. This prediction is also confirmed, with single-cell ablations of DD04 or DD05, but not DD02 or DD03, specifically affecting posterior body movements. Our predictions are robust to deletions of weak connections, missing connections, and rewired connections in the current connectome, indicating the potential applicability of this analytical framework to larger and less well-characterised connectomes. PMID:29045391
Network control principles predict neuron function in the Caenorhabditis elegans connectome

NASA Astrophysics Data System (ADS)

Yan, Gang; Vértes, Petra E.; Towlson, Emma K.; Chew, Yee Lian; Walker, Denise S.; Schafer, William R.; Barabási, Albert-László

2017-10-01

Recent studies on the controllability of complex systems offer a powerful mathematical framework to systematically explore the structure-function relationship in biological, social, and technological networks. Despite theoretical advances, we lack direct experimental proof of the validity of these widely used control principles. Here we fill this gap by applying a control framework to the connectome of the nematode Caenorhabditis elegans, allowing us to predict the involvement of each C. elegans neuron in locomotor behaviours. We predict that control of the muscles or motor neurons requires 12 neuronal classes, which include neuronal groups previously implicated in locomotion by laser ablation, as well as one previously uncharacterized neuron, PDB. We validate this prediction experimentally, finding that the ablation of PDB leads to a significant loss of dorsoventral polarity in large body bends. Importantly, control principles also allow us to investigate the involvement of individual neurons within each neuronal class. For example, we predict that, within the class of DD motor neurons, only three (DD04, DD05, or DD06) should affect locomotion when ablated individually. This prediction is also confirmed; single cell ablations of DD04 or DD05 specifically affect posterior body movements, whereas ablations of DD02 or DD03 do not. Our predictions are robust to deletions of weak connections, missing connections, and rewired connections in the current connectome, indicating the potential applicability of this analytical framework to larger and less well-characterized connectomes.
Network control principles predict neuron function in the Caenorhabditis elegans connectome.

PubMed

Yan, Gang; Vértes, Petra E; Towlson, Emma K; Chew, Yee Lian; Walker, Denise S; Schafer, William R; Barabási, Albert-László

2017-10-26

Recent studies on the controllability of complex systems offer a powerful mathematical framework to systematically explore the structure-function relationship in biological, social, and technological networks. Despite theoretical advances, we lack direct experimental proof of the validity of these widely used control principles. Here we fill this gap by applying a control framework to the connectome of the nematode Caenorhabditis elegans, allowing us to predict the involvement of each C. elegans neuron in locomotor behaviours. We predict that control of the muscles or motor neurons requires 12 neuronal classes, which include neuronal groups previously implicated in locomotion by laser ablation, as well as one previously uncharacterized neuron, PDB. We validate this prediction experimentally, finding that the ablation of PDB leads to a significant loss of dorsoventral polarity in large body bends. Importantly, control principles also allow us to investigate the involvement of individual neurons within each neuronal class. For example, we predict that, within the class of DD motor neurons, only three (DD04, DD05, or DD06) should affect locomotion when ablated individually. This prediction is also confirmed; single cell ablations of DD04 or DD05 specifically affect posterior body movements, whereas ablations of DD02 or DD03 do not. Our predictions are robust to deletions of weak connections, missing connections, and rewired connections in the current connectome, indicating the potential applicability of this analytical framework to larger and less well-characterized connectomes.
Controversial electronic structures and energies of Fe{sub 2}, Fe{sub 2}{sup +}, and Fe{sub 2}{sup −} resolved by RASPT2 calculations

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

Hoyer, Chad E.; Manni, Giovanni Li; Truhlar, Donald G., E-mail: truhlar@umn.edu, E-mail: gagliard@umn.edu

2014-11-28

The diatomic molecule Fe{sub 2} was investigated using restricted active space second-order perturbation theory (RASPT2). This molecule is very challenging to study computationally because predictions about the ground state and excited states depend sensitively on the choice of the quantum chemical method. For Fe{sub 2} we show that one needs to go beyond a full-valence active space in order to achieve even qualitative agreement with experiment for the dissociation energy, and we also obtain a smooth ground-state potential curve. In addition we report the first multireference study of Fe{sub 2}{sup +}, for which we predict an {sup 8}Σ{sub u}{sup −}more » ground state, which was not predicted by previous computational studies. By using an active space large enough to remove the most serious deficiencies of previous theoretical work and by explicitly investigating the interpretations of previous experimental results, this study elucidates previous difficulties and provides – for the first time – a qualitatively correct treatment of Fe{sub 2}, Fe{sub 2}{sup +}, and Fe{sub 2}{sup −}. Moreover, this study represents a record in terms of the number or active electrons and active orbitals in the active space, namely 16 electrons in 28 orbitals. Conventional CASPT2 calculations can be performed with at most 16 electrons in 16 orbitals. We were able to overcome this limit by using the RASPT2 formalism.« less
Beryllium abundances along the evolutionary sequence of the open cluster IC 4651 - A new test for hydrodynamical stellar models

NASA Astrophysics Data System (ADS)

Smiljanic, R.; Pasquini, L.; Charbonnel, C.; Lagarde, N.

2010-02-01

Context. Previous analyses of lithium abundances in main sequence and red giant stars have revealed the action of mixing mechanisms other than convection in stellar interiors. Beryllium abundances in stars with Li abundance determinations can offer valuable complementary information on the nature of these mechanisms. Aims: Our aim is to derive Be abundances along the whole evolutionary sequence of an open cluster. We focus on the well-studied open cluster IC 4651. These Be abundances are used with previously determined Li abundances, in the same sample stars, to investigate the mixing mechanisms in a range of stellar masses and evolutionary stages. Methods: Atmospheric parameters were adopted from a previous abundance analysis by the same authors. New Be abundances have been determined from high-resolution, high signal-to-noise UVES spectra using spectrum synthesis and model atmospheres. The careful synthetic modeling of the Be lines region is used to calculate reliable abundances in rapidly rotating stars. The observed behavior of Be and Li is compared to theoretical predictions from stellar models including rotation-induced mixing, internal gravity waves, atomic diffusion, and thermohaline mixing. Results: Beryllium is detected in all the main sequence and turn-off sample stars, both slow- and fast-rotating stars, including the Li-dip stars, but is not detected in the red giants. Confirming previous results, we find that the Li dip is also a Be dip, although the depletion of Be is more modest than for Li in the corresponding effective temperature range. For post-main-sequence stars, the Be dilution starts earlier within the Hertzsprung gap than expected from classical predictions, as does the Li dilution. A clear dispersion in the Be abundances is also observed. Theoretical stellar models including the hydrodynamical transport processes mentioned above are able to reproduce all the observed features well. These results show a good theoretical understanding of the Li and Be behavior along the color-magnitude diagram of this intermediate-age cluster for stars more massive than 1.2 M⊙. Based on observations made with the ESO VLT, at Paranal Observatory, under programs 065.L-0427 and 067.D-0126.Current address: European Southern Observatory, Karl-Schwarzschild-Str. 2, 85748 Garching bei München, Germany.
Understanding Confounding Effects in Linguistic Coordination: An Information-Theoretic Approach

PubMed Central

Gao, Shuyang; Ver Steeg, Greg; Galstyan, Aram

2015-01-01

We suggest an information-theoretic approach for measuring stylistic coordination in dialogues. The proposed measure has a simple predictive interpretation and can account for various confounding factors through proper conditioning. We revisit some of the previous studies that reported strong signatures of stylistic accommodation, and find that a significant part of the observed coordination can be attributed to a simple confounding effect—length coordination. Specifically, longer utterances tend to be followed by longer responses, which gives rise to spurious correlations in the other stylistic features. We propose a test to distinguish correlations in length due to contextual factors (topic of conversation, user verbosity, etc.) and turn-by-turn coordination. We also suggest a test to identify whether stylistic coordination persists even after accounting for length coordination and contextual factors. PMID:26115446
Tautomerism in cytosine and uracil: an experimental and theoretical core level spectroscopic study.

PubMed

Feyer, Vitaliy; Plekan, Oksana; Richter, Robert; Coreno, Marcello; Vall-llosera, Gemma; Prince, Kevin C; Trofimov, Alexander B; Zaytseva, Irina L; Moskovskaya, Tatyana E; Gromov, Evgeniy V; Schirmer, Jochen

2009-05-14

The O, N, and C 1s core level photoemission spectra of the nucleobases cytosine and uracil have been measured in the vapor phase, and the results have been interpreted via theoretical calculations. Our calculations accurately predict the relative binding energies of the core level features observed in the experimental photoemission results and provide a full assignment. In agreement with previous work, a single tautomer of uracil is populated at 405 K, giving rise to relatively simple spectra. At 450 K, three tautomers of cytosine, one of which may consist of two rotamers, are identified, and their populations are determined. This resolves inconsistencies between recent laser studies of this molecule in which the rare imino-oxo tautomer was not observed and older microwave spectra in which it was reported.
Observation of a new vibrational mode of (D{sub 2}O){sub 2} near 68 cm{sup {minus}1} using tunable far-infrared laser spectroscopy

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

Cruzan, J.D.; Loeser, J.G.; Bitten, E.R.

The authors have measured the far-infrared vibration-rotation-tunneling (VRT) spectrum of an intermolecular vibration of (D{sub 2}O){sub 2} near 68 cm{sup -1}. In addition, further transitions of the VRT band of (D{sub 2}O){sub 2} previously reported by Pugliano et al. have been observed. By considering symmetry restraints on the selection rules, these bands have been assigned to the out-of-plane H-bond torsional and in-plane acceptor wagging modes predicted by many theoretical calculations. The experimental-theoretical discrepancy in the measured frequencies of these bands indicates the importance of a fully coupled six-dimensional calculation of the dynamics for the water dimer.
Prediction and theoretical characterization of p-type organic semiconductor crystals for field-effect transistor applications.

PubMed

Atahan-Evrenk, Sule; Aspuru-Guzik, Alán

2014-01-01

The theoretical prediction and characterization of the solid-state structure of organic semiconductors has tremendous potential for the discovery of new high performance materials. To date, the theoretical analysis mostly relied on the availability of crystal structures obtained through X-ray diffraction. However, the theoretical prediction of the crystal structures of organic semiconductor molecules remains a challenge. This review highlights some of the recent advances in the determination of structure-property relationships of the known organic semiconductor single-crystals and summarizes a few available studies on the prediction of the crystal structures of p-type organic semiconductors for transistor applications.
Thermomagnetic convective flows in a vertical layer of ferrocolloid: perturbation energy analysis and experimental study.

PubMed

Suslov, Sergey A; Bozhko, Alexandra A; Sidorov, Alexander S; Putin, Gennady F

2012-07-01

Flow patterns arising in a vertical differentially heated layer of nonconducting ferromagnetic fluid placed in an external uniform transverse magnetic field are studied experimentally and discussed from the point of view of the perturbation energy balance. A quantitative criterion for detecting the parametric point where the dominant role in generating a flow instability is transferred between the thermogravitational and thermomagnetic mechanisms is suggested, based on the disturbance energy balance analysis. A comprehensive experimental study of various flow patterns is undertaken, and the existence is demonstrated of oblique thermomagnetic waves theoretically predicted by Suslov [Phys. Fluids 20, 084101 (2008)] and superposed onto the stationary magnetoconvective pattern known previously. It is found that the wave number of the detected convection patterns depends sensitively on the temperature difference across the layer and on the applied magnetic field. In unsteady regimes its value varies periodically by a factor of almost 2, indicating the appearance of two different competing wave modes. The wave numbers and spatial orientation of the observed dominant flow patterns are found to be in good agreement with theoretical predictions.
New Nuclear Magnetic Moment of ^{209}Bi: Resolving the Bismuth Hyperfine Puzzle.

PubMed

Skripnikov, Leonid V; Schmidt, Stefan; Ullmann, Johannes; Geppert, Christopher; Kraus, Florian; Kresse, Benjamin; Nörtershäuser, Wilfried; Privalov, Alexei F; Scheibe, Benjamin; Shabaev, Vladimir M; Vogel, Michael; Volotka, Andrey V

2018-03-02

A recent measurement of the hyperfine splitting in the ground state of Li-like ^{208}Bi^{80+} has established a "hyperfine puzzle"-the experimental result exhibits a 7σ deviation from the theoretical prediction [J. Ullmann et al., Nat. Commun. 8, 15484 (2017)NCAOBW2041-172310.1038/ncomms15484; J. P. Karr, Nat. Phys. 13, 533 (2017)NPAHAX1745-247310.1038/nphys4159]. We provide evidence that the discrepancy is caused by an inaccurate value of the tabulated nuclear magnetic moment (μ_{I}) of ^{209}Bi. We perform relativistic density functional theory and relativistic coupled cluster calculations of the shielding constant that should be used to extract the value of μ_{I}(^{209}Bi) and combine it with nuclear magnetic resonance measurements of Bi(NO_{3})_{3} in nitric acid solutions and of the hexafluoridobismuthate(V) BiF_{6}^{-} ion in acetonitrile. The result clearly reveals that μ_{I}(^{209}Bi) is much smaller than the tabulated value used previously. Applying the new magnetic moment shifts the theoretical prediction into agreement with experiment and resolves the hyperfine puzzle.

New Nuclear Magnetic Moment of 209Bi: Resolving the Bismuth Hyperfine Puzzle

NASA Astrophysics Data System (ADS)

Skripnikov, Leonid V.; Schmidt, Stefan; Ullmann, Johannes; Geppert, Christopher; Kraus, Florian; Kresse, Benjamin; Nörtershäuser, Wilfried; Privalov, Alexei F.; Scheibe, Benjamin; Shabaev, Vladimir M.; Vogel, Michael; Volotka, Andrey V.

2018-03-01

A recent measurement of the hyperfine splitting in the ground state of Li-like 80+208Bi has established a "hyperfine puzzle"—the experimental result exhibits a 7 σ deviation from the theoretical prediction [J. Ullmann et al., Nat. Commun. 8, 15484 (2017), 10.1038/ncomms15484; J. P. Karr, Nat. Phys. 13, 533 (2017), 10.1038/nphys4159]. We provide evidence that the discrepancy is caused by an inaccurate value of the tabulated nuclear magnetic moment (μI) of 209Bi. We perform relativistic density functional theory and relativistic coupled cluster calculations of the shielding constant that should be used to extract the value of μI(209ipts>) and combine it with nuclear magnetic resonance measurements of Bi (NO3 )3 in nitric acid solutions and of the hexafluoridobismuthate(V) BiF6- ion in acetonitrile. The result clearly reveals that μI(209Bi) is much smaller than the tabulated value used previously. Applying the new magnetic moment shifts the theoretical prediction into agreement with experiment and resolves the hyperfine puzzle.
Synthesis of Superheavy Nuclei in 48CA-INDUCED Reactions

NASA Astrophysics Data System (ADS)

Oganessian, Yu. Ts.; Utyonkov, V. K.; Lobanov, Yu. V.; Abdullin, F. Sh.; Polyakov, A. N.; Sagaidak, R. N.; Shirokovsky, I. V.; Tsyganov, Yu. S.; Voinov, A. A.; Gulbekian, G. G.; Bogomolov, S. L.; Gikal, B. N.; Mezentsev, A. N.; Iliev, S.; Subbotin, V. G.; Sukhov, A. M.; Subotic, K.; Zagrebaev, V. I.; Vostokin, G. K.; Itkis, M. G.; Moody, K. J.; Patin, J. B.; Shaughnessy, D. A.; Stoyer, M. A.; Stoyer, N. J.; Wilk, P. A.; Kenneally, J. M.; Landrum, J. H.; Wild, J. F.; Lougheed, R. W.

2008-11-01

Thirty-four new nuclides with Z = 104-116, 118 and N = 161-177 have been synthesized in the complete-fusion reactions of 238U, 237Np, 242,244Pu, 243Am, 245,248Cm, and 249Cf targets with 48Ca beams. The masses of evaporation residues were identified through measurements of the excitation functions of the xn-evaporation channels and from cross bombardments. The decay properties of the new nuclei agree with those of previously known heavy nuclei and with predictions from different theoretical models. A discussion of self-consistent interpretations of all observed decay chains originating from the parent isotopes 282,283112, 282113, 286-289114, 287,288115, 290-293116, and 294118 is presented. Decay energies and lifetimes of the neutron-rich superheavy nuclei as well as their production cross sections indicate a considerable increase in the stability of nuclei with an increasing number of neutrons, which agrees with the predictions of theoretical models concerning the decisive dependence of the structure and radioactive properties of superheavy elements on their proximity to the nuclear shells with N = 184 and Z = 114.
Distraction sneakers decrease the expected level of aggression within groups: a game-theoretic model.

PubMed

Dubois, Frédérique; Giraldeau, Luc-Alain; Hamilton, Ian M; Grant, James W A; Lefebvre, Louis

2004-08-01

Hawk-dove games have been extensively used to predict the conditions under which group-living animals should defend their resources against potential usurpers. Typically, game-theoretic models on aggression consider that resource defense may entail energetic and injury costs. However, intruders may also take advantage of owners who are busy fighting to sneak access to unguarded resources, imposing thereby an additional cost on the use of the escalated hawk strategy. In this article we modify the two-strategy hawk-dove game into a three-strategy hawk-dove-sneaker game that incorporates a distraction-sneaking tactic, allowing us to explore its consequences on the expected level of aggression within groups. Our model predicts a lower proportion of hawks and hence lower frequencies of aggressive interactions within groups than do previous two-strategy hawk-dove games. The extent to which distraction sneakers decrease the frequency of aggression within groups, however, depends on whether they search only for opportunities to join resources uncovered by other group members or for both unchallenged resources and opportunities to usurp.
A general nonlinear magnetomechanical model for ferromagnetic materials under a constant weak magnetic field

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

Shi, Pengpeng; Zheng, Xiaojing, E-mail: xjzheng@xidian.edu.cn; Jin, Ke

2016-04-14

Weak magnetic nondestructive testing (e.g., metal magnetic memory method) concerns the magnetization variation of ferromagnetic materials due to its applied load and a weak magnetic surrounding them. One key issue on these nondestructive technologies is the magnetomechanical effect for quantitative evaluation of magnetization state from stress–strain condition. A representative phenomenological model has been proposed to explain the magnetomechanical effect by Jiles in 1995. However, the Jiles' model has some deficiencies in quantification, for instance, there is a visible difference between theoretical prediction and experimental measurements on stress–magnetization curve, especially in the compression case. Based on the thermodynamic relations and themore » approach law of irreversible magnetization, a nonlinear coupled model is proposed to improve the quantitative evaluation of the magnetomechanical effect. Excellent agreement has been achieved between the predictions from the present model and previous experimental results. In comparison with Jiles' model, the prediction accuracy is improved greatly by the present model, particularly for the compression case. A detailed study has also been performed to reveal the effects of initial magnetization status, cyclic loading, and demagnetization factor on the magnetomechanical effect. Our theoretical model reveals that the stable weak magnetic signals of nondestructive testing after multiple cyclic loads are attributed to the first few cycles eliminating most of the irreversible magnetization. Remarkably, the existence of demagnetization field can weaken magnetomechanical effect, therefore, significantly reduces the testing capability. This theoretical model can be adopted to quantitatively analyze magnetic memory signals, and then can be applied in weak magnetic nondestructive testing.« less
Use of conserved key amino acid positions to morph protein folds.

PubMed

Reddy, Boojala V B; Li, Wilfred W; Bourne, Philip E

2002-07-15

By using three-dimensional (3D) structure alignments and a previously published method to determine Conserved Key Amino Acid Positions (CKAAPs) we propose a theoretical method to design mutations that can be used to morph the protein folds. The original Paracelsus challenge, met by several groups, called for the engineering of a stable but different structure by modifying less than 50% of the amino acid residues. We have used the sequences from the Protein Data Bank (PDB) identifiers 1ROP, and 2CRO, which were previously used in the Paracelsus challenge by those groups, and suggest mutation to CKAAPs to morph the protein fold. The total number of mutations suggested is less than 40% of the starting sequence theoretically improving the challenge results. From secondary structure prediction experiments of the proposed mutant sequence structures, we observe that each of the suggested mutant protein sequences likely folds to a different, non-native potentially stable target structure. These results are an early indicator that analyses using structure alignments leading to CKAAPs of a given structure are of value in protein engineering experiments. Copyright 2002 Wiley Periodicals, Inc.
Visual Iconicity Across Sign Languages: Large-Scale Automated Video Analysis of Iconic Articulators and Locations

PubMed Central

Östling, Robert; Börstell, Carl; Courtaux, Servane

2018-01-01

We use automatic processing of 120,000 sign videos in 31 different sign languages to show a cross-linguistic pattern for two types of iconic form–meaning relationships in the visual modality. First, we demonstrate that the degree of inherent plurality of concepts, based on individual ratings by non-signers, strongly correlates with the number of hands used in the sign forms encoding the same concepts across sign languages. Second, we show that certain concepts are iconically articulated around specific parts of the body, as predicted by the associational intuitions by non-signers. The implications of our results are both theoretical and methodological. With regard to theoretical implications, we corroborate previous research by demonstrating and quantifying, using a much larger material than previously available, the iconic nature of languages in the visual modality. As for the methodological implications, we show how automatic methods are, in fact, useful for performing large-scale analysis of sign language data, to a high level of accuracy, as indicated by our manual error analysis. PMID:29867684
Spherical solid model system: Exact evaluation of the van der Waals interaction between a microscopic or submacroscopic spherical solid and a deformable fluid interface

NASA Astrophysics Data System (ADS)

Wang, Y. Z.; Wang, B.; Xiong, X. M.; Zhang, J. X.

2011-03-01

In many previous research work associated with studying the deformation of the fluid interface interacting with a solid, the theoretical calculation of the surface energy density on the deformed fluid interface (or its interaction surface pressure) is often approximately obtained by using the expression for the interaction energy per unit area (or pressure) between two parallel macroscopic plates, e.g. σ(D) = - A / 12 πD2or π(D) = - A / 6 πD3for the van der Waals (vdW) interaction, through invoking the Derjaguin approximation (DA). This approximation however would result in over- or even inaccurate-prediction of the interaction force and the corresponding deformation of the fluid interface due to the invalidation of Derjaguin approximation in cases of microscopic or submacroscopic solids. To circumvent the above limitations existing in the previous DA-based theoretical work, a more accurate and quantitative theoretical model, available for exactly calculating the vdW-induced deformation of a planar fluid interface interacting with a sphere, and the interaction forces taking into account its change, is presented in this paper. The validity and advantage of the new mathematical and physical technique is rigorously verified by comparison with the numerical results on basis of the previous Paraboloid solid (PS) model and the Hamaker's sphere-flat expression (viz. F = - 2 Aa3 / (3 D2( D + 2 a) 2)), as well as its well-known DA-based general form of F / a = - A / 6z p02.
Building a USGS National Crustal Model: Theoretical foundation, inputs, and calibration for the Western United States

NASA Astrophysics Data System (ADS)

Shah, A. K.; Boyd, O. S.; Sowers, T.; Thompson, E.

2017-12-01

Seismic hazard assessments depend on an accurate prediction of ground motion, which in turn depends on a base knowledge of three-dimensional variations in density, seismic velocity, and attenuation. We are building a National Crustal Model (NCM) using a physical theoretical foundation, 3-D geologic model, and measured data for calibration. An initial version of the NCM for the western U.S. is planned to be available in mid-2018 and for the remainder of the U.S. in 2019. The theoretical foundation of the NCM couples Biot-Gassmann theory for the porous composite with mineral physics calculations for the solid mineral matrix. The 3-D geologic model is defined through integration of results from a range of previous studies including maps of surficial porosity, surface and subsurface lithology, and the depths to bedrock and crystalline basement or seismic equivalent. The depths to bedrock and basement are estimated using well, seismic, and gravity data; in many cases these data are compiled by combining previous studies. Two parameters controlling how porosity changes with depth are assumed to be a function of lithology and calibrated using measured shear- and compressional-wave velocity and density profiles. Uncertainties in parameters derived from the model increase with depth and are dependent on the quantity and quality of input data sets. An interface to the model provides parameters needed for ground motion prediction equations in the Western U.S., including, for example, the time-averaged shear-wave velocity in the upper 30 meters (VS30) and the depths to 1.0 and 2.5 km/s shear-wave speeds (Z1.0 and Z2.5), which have a very rough correlation to the depths to bedrock and basement, as well as interpolated 3D models for use with various Urban Hazard Mapping strategies. We compare parameters needed for ground motion prediction equations including VS30, Z1.0, and Z2.5 between those derived from existing models, for example, 3-D velocity models for southern California available from the Southern California Earthquake Center, and those derived from the NCM and assess their ability to reduce the variance of observed ground motions.
Ocular Chromatic Aberrations and Their Effects on Polychromatic Retinal Image Quality

NASA Astrophysics Data System (ADS)

Zhang, Xiaoxiao

Previous studies of ocular chromatic aberrations have concentrated on chromatic difference of focus (CDF). Less is known about the chromatic difference of image position (CDP) in the peripheral retina and no experimental attempt has been made to measure the ocular chromatic difference of magnification (CDM). Consequently, theoretical modelling of human eyes is incomplete. The insufficient knowledge of ocular chromatic aberrations is partially responsible for two unsolved applied vision problems: (1) how to improve vision by correcting ocular chromatic aberration? (2) what is the impact of ocular chromatic aberration on the use of isoluminance gratings as a tool in spatial-color vision?. Using optical ray tracing methods, MTF analysis methods of image quality, and psychophysical methods, I have developed a more complete model of ocular chromatic aberrations and their effects on vision. The ocular CDM was determined psychophysically by measuring the tilt in the apparent frontal parallel plane (AFPP) induced by interocular difference in image wavelength. This experimental result was then used to verify a theoretical relationship between the ocular CDM, the ocular CDF and the entrance pupil of the eye. In the retinal image after correcting the ocular CDF with existing achromatizing methods, two forms of chromatic aberration (CDM and chromatic parallax) were examined. The CDM was predicted by theoretical ray tracing and measured with the same method used to determine ocular CDM. The chromatic parallax was predicted with a nodal ray model and measured with the two-color vernier alignment method. The influence of these two aberrations on polychromatic MTF were calculated. Using this improved model of ocular chromatic aberration, luminance artifacts in the images of isoluminance gratings were calculated. The predicted luminance artifacts were then compared with experimental data from previous investigators. The results show that: (1) A simple relationship exists between two major chromatic aberrations and the location of the pupil; (2) The ocular CDM is measurable and varies among individuals; (3) All existing methods to correct ocular chromatic aberration face another aberration, chromatic parallax, which is inherent in the methodology; (4) Ocular chromatic aberrations have the potential to contaminate psychophysical experimental results on human spatial-color vision.
Simple and Multivariate Relationships Between Spiritual Intelligence with General Health and Happiness.

PubMed

Amirian, Mohammad-Elyas; Fazilat-Pour, Masoud

2016-08-01

The present study examined simple and multivariate relationships of spiritual intelligence with general health and happiness. The employed method was descriptive and correlational. King's Spiritual Quotient scales, GHQ-28 and Oxford Happiness Inventory, are filled out by a sample consisted of 384 students, which were selected using stratified random sampling from the students of Shahid Bahonar University of Kerman. Data are subjected to descriptive and inferential statistics including correlations and multivariate regressions. Bivariate correlations support positive and significant predictive value of spiritual intelligence toward general health and happiness. Further analysis showed that among the Spiritual Intelligence' subscales, Existential Critical Thinking Predicted General Health and Happiness, reversely. In addition, happiness was positively predicted by generation of personal meaning and transcendental awareness. The findings are discussed in line with the previous studies and the relevant theoretical background.
Mechanism of alkoxy groups substitution by Grignard reagents on aromatic rings and experimental verification of theoretical predictions of anomalous reactions.

PubMed

Jiménez-Osés, Gonzalo; Brockway, Anthony J; Shaw, Jared T; Houk, K N

2013-05-01

The mechanism of direct displacement of alkoxy groups in vinylogous and aromatic esters by Grignard reagents, a reaction that is not observed with expectedly better tosyloxy leaving groups, is elucidated computationally. The mechanism of this reaction has been determined to proceed through the inner-sphere attack of nucleophilic alkyl groups from magnesium to the reacting carbons via a metalaoxetane transition state. The formation of a strong magnesium chelate with the reacting alkoxy and carbonyl groups dictates the observed reactivity and selectivity. The influence of ester, ketone, and aldehyde substituents was investigated. In some cases, the calculations predicted the formation of products different than those previously reported; these predictions were then verified experimentally. The importance of studying the actual system, and not simplified models as computational systems, is demonstrated.
Mechanism of Alkoxy Groups Substitution by Grignard Reagents on Aromatic Rings and Experimental Verification of Theoretical Predictions of Anomalous Reactions

PubMed Central

Jiménez-Osés, Gonzalo; Brockway, Anthony J.; Shaw, Jared T.; Houk, K. N.

2013-01-01

The mechanism of direct displacement of alkoxy groups in vinylogous and aromatic esters by Grignard reagents, a reaction that is not observed with expectedly better tosyloxy leaving groups, is elucidated computationally. The mechanism of this reaction has been determined to proceed through the inner-sphere attack of nucleophilic alkyl groups from magnesium to the reacting carbons via a metalaoxetane transition state. The formation of a strong magnesium chelate with the reacting alkoxy and carbonyl groups dictates the observed reactivity and selectivity. The influence of ester, ketone and aldehyde substituents was investigated. In some cases, the calculations predicted the formation of products different than those previously reported; these predictions were then verified experimentally. The importance of studying the actual system, and not simplified models as computational systems, is demonstrated. PMID:23601086
Steady state phosphorus mass balance model during hemodialysis based on a pseudo one-compartment kinetic model.

PubMed

Leypoldt, John K; Agar, Baris U; Akonur, Alp; Gellens, Mary E; Culleton, Bruce F

2012-11-01

Mathematical models of phosphorus kinetics and mass balance during hemodialysis are in early development. We describe a theoretical phosphorus steady state mass balance model during hemodialysis based on a novel pseudo one-compartment kinetic model. The steady state mass balance model accounted for net intestinal absorption of phosphorus and phosphorus removal by both dialysis and residual kidney function. Analytical mathematical solutions were derived to describe time-dependent intradialytic and interdialytic serum phosphorus concentrations assuming hemodialysis treatments were performed symmetrically throughout a week. Results from the steady state phosphorus mass balance model are described for thrice weekly hemodialysis treatment prescriptions only. The analysis predicts 1) a minimal impact of dialyzer phosphorus clearance on predialysis serum phosphorus concentration using modern, conventional hemodialysis technology, 2) variability in the postdialysis-to-predialysis phosphorus concentration ratio due to differences in patient-specific phosphorus mobilization, and 3) the importance of treatment time in determining the predialysis serum phosphorus concentration. We conclude that a steady state phosphorus mass balance model can be developed based on a pseudo one-compartment kinetic model and that predictions from this model are consistent with previous clinical observations. The predictions from this mass balance model are theoretical and hypothesis-generating only; additional prospective clinical studies will be required for model confirmation.
Aircraft noise prediction program theoretical manual, part 1

NASA Technical Reports Server (NTRS)

Zorumski, W. E.

1982-01-01

Aircraft noise prediction theoretical methods are given. The prediction of data which affect noise generation and propagation is addressed. These data include the aircraft flight dynamics, the source noise parameters, and the propagation effects.
Frequency, probability, and prediction: easy solutions to cognitive illusions?

PubMed

Griffin, D; Buehler, R

1999-02-01

Many errors in probabilistic judgment have been attributed to people's inability to think in statistical terms when faced with information about a single case. Prior theoretical analyses and empirical results imply that the errors associated with case-specific reasoning may be reduced when people make frequentistic predictions about a set of cases. In studies of three previously identified cognitive biases, we find that frequency-based predictions are different from-but no better than-case-specific judgments of probability. First, in studies of the "planning fallacy, " we compare the accuracy of aggregate frequency and case-specific probability judgments in predictions of students' real-life projects. When aggregate and single-case predictions are collected from different respondents, there is little difference between the two: Both are overly optimistic and show little predictive validity. However, in within-subject comparisons, the aggregate judgments are significantly more conservative than the single-case predictions, though still optimistically biased. Results from studies of overconfidence in general knowledge and base rate neglect in categorical prediction underline a general conclusion. Frequentistic predictions made for sets of events are no more statistically sophisticated, nor more accurate, than predictions made for individual events using subjective probability. Copyright 1999 Academic Press.
Splice Site Mutations in the ATP7A Gene

PubMed Central

Møller, Lisbeth Birk

2011-01-01

Menkes disease (MD) is caused by mutations in the ATP7A gene. We describe 33 novel splice site mutations detected in patients with MD or the milder phenotypic form, Occipital Horn Syndrome. We review these 33 mutations together with 28 previously published splice site mutations. We investigate 12 mutations for their effect on the mRNA transcript in vivo. Transcriptional data from another 16 mutations were collected from the literature. The theoretical consequences of splice site mutations, predicted with the bioinformatics tool Human Splice Finder, were investigated and evaluated in relation to in vivo results. Ninety-six percent of the mutations identified in 45 patients with classical MD were predicted to have a significant effect on splicing, which concurs with the absence of any detectable wild-type transcript in all 19 patients investigated in vivo. Sixty-seven percent of the mutations identified in 12 patients with milder phenotypes were predicted to have no significant effect on splicing, which concurs with the presence of wild-type transcript in 7 out of 9 patients investigated in vivo. Both the in silico predictions and the in vivo results support the hypothesis previously suggested by us and others, that the presence of some wild-type transcript is correlated to a milder phenotype. PMID:21494555
Quasi-linear gyrokinetic predictions of the Coriolis momentum pinch in NSTX

DOE Data Explorer

Guttenfelder, W. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Kaye, S. M. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Ren, Y. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Solomon, W. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Bell, R. E. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Candy, J. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Gerhardt, S. P. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); LeBlanc, B. P. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Yuh, H. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

2016-04-01

This paper presents quasi-linear gyrokinetic predictions of the Coriolis momentum pinch for low aspect-ratio NSTX H-modes where previous experimental measurements were focused. Local, linear calculations predict that in the region of interest (just outside the mid-radius) of these relatively high-beta plasmas, profiles are most unstable to microtearing modes that are only effective in transporting electron energy. However, sub-dominant electromagnetic and electrostatic ballooning modes are also unstable, which are effective at transporting energy, particles and momentum. The quasi-linear prediction of transport from these weaker ballooning modes, assuming they contribute transport in addition to that from microtearing modes in a nonlinear turbulent state, leads to a very small or outward convection of momentum, inconsistent with the experimentally measured inward pinch, and opposite to predictions in conventional aspect ratio tokamaks. Additional predictions of a low beta L-mode plasma, unstable to more traditional electrostatic ion temperature gradient-trapped electron mode instability, show that the Coriolis pinch is inward but remains relatively weak and insensitive to many parameter variations. The weak or outward pinch predicted in NSTX plasmas appears to be at least partially correlated to changes in the parallel mode structure that occur at finite beta and low aspect ratio, as discussed in previous theories. The only conditions identified where a stronger inward pinch is predicted occur either in the purely electrostatic limit or if the aspect ratio is increased. As the Coriolis pinch cannot explain the measured momentum pinch, additional theoretical momentum transport mechanisms are discussed that may be potentially important.
The Midplane of the Main Asteroid Belt and Its Warps

NASA Astrophysics Data System (ADS)

Cambioni, Saverio; Malhotra, Renu

2017-10-01

It has been recognized for a long time that the orbital planes of asteroids are surprisingly highly dispersed about the mean plane of the solar system, and likely memorialize dynamical events over the ancient history of the solar system. But how well do we know the mean plane of the asteroid belt? Since the time of the first measurements of their mean plane (Plummer 1916; Shor & Yagudina 1991), the number of known main belt asteroids (MBAs) has dramatically increased; the large size of this population now allows measuring its mean plane at much higher accuracy than in previous studies and also allows to compare it with theoretical expectations. The theoretically expected mean plane is defined by the forced solution of the secular perturbation theory for the inclinations and nodes (e.g., Murray & Dermott 1999); this forced plane varies with semi-major axis. We measure the mean plane by analyzing the observational data and we compare it with the theoretical prediction. Our observationally nearly complete sample consists of 89,216 numbered, non-collisional family asteroids of absolute magnitude below 15.5. For the population as a whole, we find that the mean plane differs significantly from previous measurements: the mean plane’s inclination is I = 0.929 (+0.042, -0.042) degrees and its longitude of ascending node is Ω = 87.60 (+2.58, -2.58) degrees. When measured in small semi-major axis bins between 2.15 and 3.25 AU, the mean plane is found to be largely consistent with secular perturbation theory predictions, deviating not more than (1-2)-σ from the theoretically expected values. A warp near the inner edge, due to the ν16 secular resonance, is visible in the data. Our analysis reveals the way to a novel method for the computation of the free or “proper” inclinations of the MBAs, by computing asteroid inclinations relative to the measured mean plane at that location in semi-major axis.This study used the catalogs of osculating elements for the minor planets and collisional family membership available on the AstDys-2 website (http://hamilton.dm.unipi.it/astdys/). We are grateful for research funding from NSF (grant AST-1312498).
Intelligence moderates neural responses to monetary reward and punishment.

PubMed

Hawes, Daniel R; DeYoung, Colin G; Gray, Jeremy R; Rustichini, Aldo

2014-05-01

The relations between intelligence (IQ) and neural responses to monetary gains and losses were investigated in a simple decision task. In 94 healthy adults, typical responses of striatal blood oxygen level-dependent (BOLD) signal after monetary reward and punishment were weaker for subjects with higher IQ. IQ-moderated differential responses to gains and losses were also found for regions in the medial prefrontal cortex, posterior cingulate cortex, and left inferior frontal cortex. These regions have previously been identified with the subjective utility of monetary outcomes. Analysis of subjects' behavior revealed a correlation between IQ and the extent to which choices were related to experienced decision outcomes in preceding trials. Specifically, higher IQ predicted behavior to be more strongly correlated with an extended period of previously experienced decision outcomes, whereas lower IQ predicted behavior to be correlated exclusively to the most recent decision outcomes. We link these behavioral and imaging findings to a theoretical model capable of describing a role for intelligence during the evaluation of rewards generated by unknown probabilistic processes. Our results demonstrate neural differences in how people of different intelligence respond to experienced monetary rewards and punishments. Our theoretical discussion offers a functional description for how these individual differences may be linked to choice behavior. Together, our results and model support the hypothesis that observed correlations between intelligence and preferences may be rooted in the way decision outcomes are experienced ex post, rather than deriving exclusively from how choices are evaluated ex ante.
Influence of the noise sources motion on the estimated Green's functions from ambient noise cross-correlations.

PubMed

Sabra, Karim G

2010-06-01

It has been demonstrated theoretically and experimentally that an estimate of the Green's function between two receivers can be obtained by cross-correlating acoustic (or elastic) ambient noise recorded at these two receivers. Coherent wavefronts emerge from the noise cross-correlation time function due to the accumulated contributions over time from noise sources whose propagation path pass through both receivers. Previous theoretical studies of the performance of this passive imaging technique have assumed that no relative motion between noise sources and receivers occurs. In this article, the influence of noise sources motion (e.g., aircraft or ship) on this passive imaging technique was investigated theoretically in free space, using a stationary phase approximation, for stationary receivers. The theoretical results were extended to more complex environments, in the high-frequency regime, using first-order expansions of the Green's function. Although sources motion typically degrades the performance of wideband coherent processing schemes, such as time-delay beamforming, it was found that the Green's function estimated from ambient noise cross-correlations are not expected to be significantly affected by the Doppler effect, even for supersonic sources. Numerical Monte-Carlo simulations were conducted to confirm these theoretical predictions for both cases of subsonic and supersonic moving sources.

LRSSLMDA: Laplacian Regularized Sparse Subspace Learning for MiRNA-Disease Association prediction

PubMed Central

Huang, Li

2017-01-01

Predicting novel microRNA (miRNA)-disease associations is clinically significant due to miRNAs’ potential roles of diagnostic biomarkers and therapeutic targets for various human diseases. Previous studies have demonstrated the viability of utilizing different types of biological data to computationally infer new disease-related miRNAs. Yet researchers face the challenge of how to effectively integrate diverse datasets and make reliable predictions. In this study, we presented a computational model named Laplacian Regularized Sparse Subspace Learning for MiRNA-Disease Association prediction (LRSSLMDA), which projected miRNAs/diseases’ statistical feature profile and graph theoretical feature profile to a common subspace. It used Laplacian regularization to preserve the local structures of the training data and a L1-norm constraint to select important miRNA/disease features for prediction. The strength of dimensionality reduction enabled the model to be easily extended to much higher dimensional datasets than those exploited in this study. Experimental results showed that LRSSLMDA outperformed ten previous models: the AUC of 0.9178 in global leave-one-out cross validation (LOOCV) and the AUC of 0.8418 in local LOOCV indicated the model’s superior prediction accuracy; and the average AUC of 0.9181+/-0.0004 in 5-fold cross validation justified its accuracy and stability. In addition, three types of case studies further demonstrated its predictive power. Potential miRNAs related to Colon Neoplasms, Lymphoma, Kidney Neoplasms, Esophageal Neoplasms and Breast Neoplasms were predicted by LRSSLMDA. Respectively, 98%, 88%, 96%, 98% and 98% out of the top 50 predictions were validated by experimental evidences. Therefore, we conclude that LRSSLMDA would be a valuable computational tool for miRNA-disease association prediction. PMID:29253885
Theoretical modeling of rhenium isotope fractionation, natural variations across a black shale weathering profile, and potential as a paleoredox proxy

NASA Astrophysics Data System (ADS)

Miller, Christian A.; Peucker-Ehrenbrink, Bernhard; Schauble, Edwin A.

2015-11-01

We present the first data documenting environmental variations in the isotope composition of Re, and the first theoretical models of equilibrium Re isotope fractionation factors. Variations of δ187Re at modern surface temperatures are predicted to be ‰ level for redox (ReVII ⇌ ReIV) and perrhenate thiolation reactions (ReVIIO4- ⇌ReVIIOXS4-X- ⇌ReVII S4-). Nuclear volume fractionations are calculated to be smaller than mass dependent effects. Values of δ187Re from New Albany Shale samples presented in this work and in a previous study show a range of 0.8‰ over a stratigraphic interval of ∼20 m. The magnitude of variation is consistent with theoretical predictions and may provide evidence for changing δ187Re of seawater in the geologic past. A -0.3‰ change in δ187Re across a 14 m horizontal black shale weathering profile is accompanied by a hundred-fold decrease in Re concentration and a 75% decrease in organic carbon associated with the transition from reducing to oxic weathering environment. We attribute decreasing δ187Re to the loss of organically bound Re component (δ187Re = -0.28‰). The Re isotope composition of the complementary detrital silicate fraction varies from -0.59 to -1.5‰, depending on the choice of silicate Re concentration.
Implications of improved Higgs mass calculations for supersymmetric models.

PubMed

Buchmueller, O; Dolan, M J; Ellis, J; Hahn, T; Heinemeyer, S; Hollik, W; Marrouche, J; Olive, K A; Rzehak, H; de Vries, K J; Weiglein, G

We discuss the allowed parameter spaces of supersymmetric scenarios in light of improved Higgs mass predictions provided by FeynHiggs 2.10.0. The Higgs mass predictions combine Feynman-diagrammatic results with a resummation of leading and subleading logarithmic corrections from the stop/top sector, which yield a significant improvement in the region of large stop masses. Scans in the pMSSM parameter space show that, for given values of the soft supersymmetry-breaking parameters, the new logarithmic contributions beyond the two-loop order implemented in FeynHiggs tend to give larger values of the light CP-even Higgs mass, [Formula: see text], in the region of large stop masses than previous predictions that were based on a fixed-order Feynman-diagrammatic result, though the differences are generally consistent with the previous estimates of theoretical uncertainties. We re-analyse the parameter spaces of the CMSSM, NUHM1 and NUHM2, taking into account also the constraints from CMS and LHCb measurements of [Formula: see text]and ATLAS searches for [Formula: see text] events using 20/fb of LHC data at 8 TeV. Within the CMSSM, the Higgs mass constraint disfavours [Formula: see text], though not in the NUHM1 or NUHM2.
Short-time dynamics of lysozyme solutions with competing short-range attraction and long-range repulsion: Experiment and theory

NASA Astrophysics Data System (ADS)

Riest, Jonas; Nägele, Gerhard; Liu, Yun; Wagner, Norman J.; Godfrin, P. Douglas

2018-02-01

Recently, atypical static features of microstructural ordering in low-salinity lysozyme protein solutions have been extensively explored experimentally and explained theoretically based on a short-range attractive plus long-range repulsive (SALR) interaction potential. However, the protein dynamics and the relationship to the atypical SALR structure remain to be demonstrated. Here, the applicability of semi-analytic theoretical methods predicting diffusion properties and viscosity in isotropic particle suspensions to low-salinity lysozyme protein solutions is tested. Using the interaction potential parameters previously obtained from static structure factor measurements, our results of Monte Carlo simulations representing seven experimental lysoyzme samples indicate that they exist either in dispersed fluid or random percolated states. The self-consistent Zerah-Hansen scheme is used to describe the static structure factor, S(q), which is the input to our calculation schemes for the short-time hydrodynamic function, H(q), and the zero-frequency viscosity η. The schemes account for hydrodynamic interactions included on an approximate level. Theoretical predictions for H(q) as a function of the wavenumber q quantitatively agree with experimental results at small protein concentrations obtained using neutron spin echo measurements. At higher concentrations, qualitative agreement is preserved although the calculated hydrodynamic functions are overestimated. We attribute the differences for higher concentrations and lower temperatures to translational-rotational diffusion coupling induced by the shape and interaction anisotropy of particles and clusters, patchiness of the lysozyme particle surfaces, and the intra-cluster dynamics, features not included in our simple globular particle model. The theoretical results for the solution viscosity, η, are in qualitative agreement with our experimental data even at higher concentrations. We demonstrate that semi-quantitative predictions of diffusion properties and viscosity of solutions of globular proteins are possible given only the equilibrium structure factor of proteins. Furthermore, we explore the effects of changing the attraction strength on H(q) and η.
Adaptive data rate capacity of meteor-burst communications

NASA Astrophysics Data System (ADS)

Larsen, J. D.; Melville, S. W.; Mawrey, R. S.

The use of adaptive data rates in the meteor-burst communications environment is investigated. Measured results obtained from a number of meteor links are presented and compared with previous theoretical predictions. The contribution of various meteor trail families to throughput capacity are also investigated. The results show that the use of adaptive data rates can significantly increase the throughput capacity of meteor-burst communication systems. The greatest rate of increase in throughput with increase in operating rate is found at low operating rates. This finding has been confirmed for a variety of links and days. Reasonable correspondence is obtained between the predicted modified overdense model and the observed results. Overdense trails, in particular two trail types within the overdense family, are shown to dominate adaptive data throughput.
Predicting Intentional Communication in Preverbal Preschoolers with Autism Spectrum Disorder.

PubMed

Sandbank, Micheal; Woynaroski, Tiffany; Watson, Linda R; Gardner, Elizabeth; Keçeli Kaysili, Bahar; Yoder, Paul

2017-06-01

Intentional communication has previously been identified as a value-added predictor of expressive language in preverbal preschoolers with autism spectrum disorder. In the present study, we sought to identify value-added predictors of intentional communication. Of five theoretically-motivated putative predictors of intentional communication measured early in the study (at study entry and 4 months after), three had significant zero-order correlations with later intentional communication (12 months after study entry) and were thus added to a linear model that predicted later intentional communication scores controlling for initial intentional communication scores at study entry. After controlling for initial intentional communication, early motor imitation was the only predictor that accounted for a significant amount of variance in children's later intentional communication.
The shape parameter and its modification for defining coastal profiles

NASA Astrophysics Data System (ADS)

Türker, Umut; Kabdaşli, M. Sedat

2009-03-01

The shape parameter is important for the theoretical description of the sandy coastal profiles. This parameter has previously been defined as a function of the sediment-settling velocity. However, the settling velocity cannot be characterized over a wide range of sediment grains. This, in turn, limits the calculation of the shape parameter over a wide range. This paper provides a simpler and faster analytical equation to describe the shape parameter. The validity of the equation has been tested and compared with the previously estimated values given in both graphical and tabular forms. The results of this study indicate that the analytical solutions of the shape parameter improved the usability of profile better than graphical solutions, predicting better results both at the surf zone and offshore.
The mean intensity of radiation at 2 microns in the solar neighborhood

NASA Technical Reports Server (NTRS)

Jura, M.

1979-01-01

Consideration is given to the value of the mean intensity at 2 microns in the solar neighborhood, and it is found that it is likely to be a factor of four greater than previously estimated on theoretical grounds. It is noted however, that the estimate does agree with a reasonable extrapolation of the results of the survey of the Galactic plane by the Japanese group. It is concluded that the mean intensity in the solar neighborhood therefore probably peaks somewhat longward of 1 micron, and that this result is important for understanding the temperature of interstellar dust and the intensity of the far infrared background. This means specifically that dark clouds probably emit significantly more far infrared radiation than previously predicted.
Measurement of the W charge asymmetry in production with jets using 5 inverse-femtobarns of data measured at center of mass energy = 7TeV with CMS

NASA Astrophysics Data System (ADS)

Lawson, Philip Daniel

A measurement of the electron charge asymmetry in p+p→W production in association with jets at sqrt{s}=7 TeV is presented. The dataset corresponds to an integrated luminosity of L=5fb-1 recorded by the CMS detector in proton-proton collisions at the LHC. The sample represents a large increase in statistical precision with respect to previous CMS results and describes a first study of charge asymmetry measured in p+p→W+1 jet events. Full comparisons to previous results and theoretical predictions are provided and recommendations for extending the analysis to produce valuable input for future PDF models are made.
Exclusive vector meson production with leading neutrons in a saturation model for the dipole amplitude in mixed space

NASA Astrophysics Data System (ADS)

Amaral, J. T.; Becker, V. M.

2018-05-01

We investigate ρ vector meson production in e p collisions at HERA with leading neutrons in the dipole formalism. The interaction of the dipole and the pion is described in a mixed-space approach, in which the dipole-pion scattering amplitude is given by the Marquet-Peschanski-Soyez saturation model, which is based on the traveling wave solutions of the nonlinear Balitsky-Kovchegov equation. We estimate the magnitude of the absorption effects and compare our results with a previous analysis of the same process in full coordinate space. In contrast with this approach, the present study leads to absorption K factors in the range of those predicted by previous theoretical studies on semi-inclusive processes.
Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, and trimethylgermyl derivatives of 3,3-dimethylcyclopropene III. 3,3-Dimethyl-1-(trimethylsilyl)cyclopropene

NASA Astrophysics Data System (ADS)

De Maré, G. R.; Panchenko, Yu. N.; Abramenkov, A. V.; Baird, M. S.; Tverezovsky, V. V.; Nizovtsev, A. V.; Bolesov, I. G.

2003-07-01

The experimental Raman and IR vibrational spectra of 3,3-dimethyl-1-(trimethylsilyl)cyclopropene in the liquid phase were recorded. Total geometry optimisation was carried out at the HF/6-31G* level and the HF/6-31G*//HF/6-31G* force field was computed. This force field was corrected by scale factors determined previously (using Pulay's method) for correction of the HF/6-31G*//HF/6-31G* force fields of 3,3-dimethylbutene-1, 1-methyl-, 1,2-dimethyl-, and 3,3-dimethylcyclopropene. The theoretical vibrational frequencies calculated from the scaled quantum mechanical force field and the theoretical intensities obtained from the quantum mechanical calculation were used to construct predicted spectra and to perform the vibrational analysis of the experimental spectra.
Use of an expert system data analysis manager for space shuttle main engine test evaluation

NASA Technical Reports Server (NTRS)

Abernethy, Ken

1988-01-01

The ability to articulate, collect, and automate the application of the expertise needed for the analysis of space shuttle main engine (SSME) test data would be of great benefit to NASA liquid rocket engine experts. This paper describes a project whose goal is to build a rule-based expert system which incorporates such expertise. Experiential expertise, collected directly from the experts currently involved in SSME data analysis, is used to build a rule base to identify engine anomalies similar to those analyzed previously. Additionally, an alternate method of expertise capture is being explored. This method would generate rules inductively based on calculations made using a theoretical model of the SSME's operation. The latter rules would be capable of diagnosing anomalies which may not have appeared before, but whose effects can be predicted by the theoretical model.
An Interoceptive Predictive Coding Model of Conscious Presence

PubMed Central

Seth, Anil K.; Suzuki, Keisuke; Critchley, Hugo D.

2011-01-01

We describe a theoretical model of the neurocognitive mechanisms underlying conscious presence and its disturbances. The model is based on interoceptive prediction error and is informed by predictive models of agency, general models of hierarchical predictive coding and dopaminergic signaling in cortex, the role of the anterior insular cortex (AIC) in interoception and emotion, and cognitive neuroscience evidence from studies of virtual reality and of psychiatric disorders of presence, specifically depersonalization/derealization disorder. The model associates presence with successful suppression by top-down predictions of informative interoceptive signals evoked by autonomic control signals and, indirectly, by visceral responses to afferent sensory signals. The model connects presence to agency by allowing that predicted interoceptive signals will depend on whether afferent sensory signals are determined, by a parallel predictive-coding mechanism, to be self-generated or externally caused. Anatomically, we identify the AIC as the likely locus of key neural comparator mechanisms. Our model integrates a broad range of previously disparate evidence, makes predictions for conjoint manipulations of agency and presence, offers a new view of emotion as interoceptive inference, and represents a step toward a mechanistic account of a fundamental phenomenological property of consciousness. PMID:22291673
Responses to single photons in visual cells of Limulus

PubMed Central

Borsellino, A.; Fuortes, M. G. F.

1968-01-01

1. A system proposed in a previous article as a model of responses of visual cells has been analysed with the purpose of predicting the features of responses to single absorbed photons. 2. As a result of this analysis, the stochastic variability of responses has been expressed as a function of the amplification of the system. 3. The theoretical predictions have been compared to the results obtained by recording electrical responses of visual cells of Limulus to flashes delivering only few photons. 4. Experimental responses to single photons have been tentatively identified and it was shown that the stochastic variability of these responses is similar to that predicted for a model with a multiplication factor of at least twenty-five. 5. These results lead to the conclusion that the processes responsible for visual responses incorporate some form of amplification. This conclusion may prove useful for identifying the physical mechanisms underlying the transducer action of visual cells. PMID:5664231
Variational prediction of the mechanical behavior of shape memory alloys based on thermal experiments

NASA Astrophysics Data System (ADS)

Junker, Philipp; Jaeger, Stefanie; Kastner, Oliver; Eggeler, Gunther; Hackl, Klaus

2015-07-01

In this work, we present simulations of shape memory alloys which serve as first examples demonstrating the predicting character of energy-based material models. We begin with a theoretical approach for the derivation of the caloric parts of the Helmholtz free energy. Afterwards, experimental results for DSC measurements are presented. Then, we recall a micromechanical model based on the principle of the minimum of the dissipation potential for the simulation of polycrystalline shape memory alloys. The previously determined caloric parts of the Helmholtz free energy close the set of model parameters without the need of parameter fitting. All quantities are derived directly from experiments. Finally, we compare finite element results for tension tests to experimental data and show that the model identified by thermal measurements can predict mechanically induced phase transformations and thus rationalize global material behavior without any further assumptions.
Forgiveness and Consideration of Future Consequences in Aggressive Driving

PubMed Central

Moore, Michael; Dahlen, Eric R.

2008-01-01

Most research on aggressive driving has focused on identifying aspects of driver personality which will exacerbate it (e.g., sensation seeking, impulsiveness, driving anger, etc.). The present study was designed to examine two theoretically relevant but previously unexplored personality factors predicted to reduce the risk of aggressive driving: trait forgiveness and consideration of future consequences. The utility of these variables in predicting aggressive driving and driving anger expression was evaluated among 316 college student volunteers. Hierarchical multiple regressions permitted an analysis of the incremental validity of these constructs beyond respondent gender, age, miles driven per week, and driving anger. Both forgiveness and consideration of future consequences contributed to the prediction of aggressive driving and driving anger expression, independent of driving anger. Research on aggressive driving may be enhanced by greater attention to adaptive, potentially risk-reducing traits. Moreover, forgiveness and consideration of future consequences may have implications for accident prevention. PMID:18760093
Experimental survey of the production of α -decaying heavy elements in 238U+232Th reactions at 7.5-6.1 MeV/nucleon

NASA Astrophysics Data System (ADS)

Wuenschel, S.; Hagel, K.; Barbui, M.; Gauthier, J.; Cao, X. G.; Wada, R.; Kim, E. J.; Majka, Z.; Płaneta, R.; Sosin, Z.; Wieloch, A.; Zelga, K.; Kowalski, S.; Schmidt, K.; Ma, C.; Zhang, G.; Natowitz, J. B.

2018-06-01

The production of α -particle decaying heavy nuclei in reactions of 7.5-6.1 MeV/nucleon 238U +232Th was explored using an in-beam detection array composed of YAP scintillators and gas ionization chamber-Si telescopes. Comparisons of α energies and half-lives for the observed products with those of the previously known isotopes and with theoretically predicted values indicate the observation of a number of previously unreported α emitters. α -particle decay energies reaching as high as 12 MeV are observed. Many of these are expected to be from decay of previously unseen relatively neutron rich products. While the contributions of isomeric states require further exploration and specific isotope identifications need to be made, the production of heavy isotopes with quite high atomic numbers is suggested by the data.
Prediction of new ground-state crystal structure of T a2O5

NASA Astrophysics Data System (ADS)

Yang, Yong; Kawazoe, Yoshiyuki

2018-03-01

Tantalum pentoxide (T a2O5 ) is a wide-gap semiconductor which has important technological applications. Despite the enormous efforts from both experimental and theoretical studies, the ground-state crystal structure of T a2O5 is not yet uniquely determined. Based on first-principles calculations in combination with evolutionary algorithm, we identify a triclinic phase of T a2O5 , which is energetically much more stable than any phases or structural models reported previously. Characterization of the static and dynamical properties of the phase reveals the common features shared with previous metastable phases of T a2O5 . In particular, we show that the d spacing of ˜3.8 Å found in the x-ray diffraction patterns of many previous experimental works is actually the radius of the second Ta-Ta coordination shell as defined by radial distribution functions.
Communication: The H2@C60 inelastic neutron scattering selection rule: Expanded and explained

NASA Astrophysics Data System (ADS)

Poirier, Bill

2015-09-01

Recently [M. Xu et al., J. Chem. Phys. 139, 064309 (2013)], an unexpected selection rule was discovered for the title system, contradicting the previously held belief that inelastic neutron scattering (INS) is not subject to any selection rules. Moreover, the newly predicted forbidden transitions, which emerge only in the context of coupled H2 translation-rotation (TR) dynamics, have been confirmed experimentally. However, a simple physical understanding, e.g., based on group theory, has been heretofore lacking. This is provided in the present paper, in which we (1) derive the correct symmetry group for the H2@C60 TR Hamiltonian and eigenstates; (2) complete the INS selection rule, and show that the set of forbidden transitions is actually much larger than previously believed; and (3) evaluate previous theoretical and experimental results, in light of the new findings.
Communication: The H{sub 2}@C{sub 60} inelastic neutron scattering selection rule: Expanded and explained

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

Poirier, Bill, E-mail: Bill.Poirier@ttu.edu

Recently [M. Xu et al., J. Chem. Phys. 139, 064309 (2013)], an unexpected selection rule was discovered for the title system, contradicting the previously held belief that inelastic neutron scattering (INS) is not subject to any selection rules. Moreover, the newly predicted forbidden transitions, which emerge only in the context of coupled H{sub 2} translation-rotation (TR) dynamics, have been confirmed experimentally. However, a simple physical understanding, e.g., based on group theory, has been heretofore lacking. This is provided in the present paper, in which we (1) derive the correct symmetry group for the H{sub 2}@C{sub 60} TR Hamiltonian and eigenstates;more » (2) complete the INS selection rule, and show that the set of forbidden transitions is actually much larger than previously believed; and (3) evaluate previous theoretical and experimental results, in light of the new findings.« less

Relativistic corrections to electromagnetic heavy quarkonium production

NASA Astrophysics Data System (ADS)

Shtabovenko, Vladyslav

2017-03-01

We report on the calculation [1] of the relativistic O(αs0 ν2) corrections to the quarkonium production process e+e- → χcJ + γ in non-relativistic QCD (NRQCD). In our work we incorporate effects from operators that contribute through the sub-leading Fock state |QQ¯g>, that were not taken into account by previous studies. We determine the corresponding matching coeffcients that should be included into theoretical predictions for the electromagnetic production cross-section of χcJ. This process could be, in principle, measured by the Belle II experiment.
Theoretical Prediction of the Heats of Formation, Densities, and Relative Sensitivities for 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene (DATNP) and 3,7-diamino-2,4,6,8-tetranitro-1,5-diazanaphthalene 1,5-N-oxide (DATNPO)

DTIC Science & Technology

2016-02-01

Figures Fig. 1 Optimized structure of a) 1 and b) 2 ......................................................2 Fig. 2 Electrostatic potential map of 1...3 Electrostatic potential map of 2, without a) and with b) molecule overlay...previous report.7 For the estimation of the impact sensitivities, the electrostatic maps on the 0.001 isosurfaces were generated with the scalar range
Energy Dependence of Particle Multiplicities in Central Au+Au Collisions

NASA Astrophysics Data System (ADS)

Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Corbo, J.; Decowski, M. P.; Garcia, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Henderson, C.; Hicks, D.; Hofman, D.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A.; Mülmenstädt, J.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Rafelski, M.; Rbeiz, M.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

2002-01-01

We present the first measurement of the pseudorapidity density of primary charged particles in Au+Au collisions at (sNN) = 200 GeV. For the 6% most central collisions, we obtain dNch/dη\\|\\|η\\|<1 = 650+/-35(syst). Compared to collisions at (sNN) = 130 GeV, the highest energy studied previously, an increase by a factor of 1.14+/-0.05 at 90% confidence level, is found. The energy dependence of the pseudorapidity density is discussed in comparison with data from proton-induced collisions and theoretical predictions.
Control theory for scanning probe microscopy revisited.

PubMed

Stirling, Julian

2014-01-01

We derive a theoretical model for studying SPM feedback in the context of control theory. Previous models presented in the literature that apply standard models for proportional-integral-derivative controllers predict a highly unstable feedback environment. This model uses features specific to the SPM implementation of the proportional-integral controller to give realistic feedback behaviour. As such the stability of SPM feedback for a wide range of feedback gains can be understood. Further consideration of mechanical responses of the SPM system gives insight into the causes of exciting mechanical resonances of the scanner during feedback operation.
Scaling rules for the final decline to extinction

PubMed Central

Griffen, Blaine D.; Drake, John M.

2009-01-01

Space–time scaling rules are ubiquitous in ecological phenomena. Current theory postulates three scaling rules that describe the duration of a population's final decline to extinction, although these predictions have not previously been empirically confirmed. We examine these scaling rules across a broader set of conditions, including a wide range of density-dependent patterns in the underlying population dynamics. We then report on tests of these predictions from experiments using the cladoceran Daphnia magna as a model. Our results support two predictions that: (i) the duration of population persistence is much greater than the duration of the final decline to extinction and (ii) the duration of the final decline to extinction increases with the logarithm of the population's estimated carrying capacity. However, our results do not support a third prediction that the duration of the final decline scales inversely with population growth rate. These findings not only support the current standard theory of population extinction but also introduce new empirical anomalies awaiting a theoretical explanation. PMID:19141422
Theoretical predictions for spatially-focused heating of magnetic nanoparticles guided by magnetic particle imaging field gradients

NASA Astrophysics Data System (ADS)

Dhavalikar, Rohan; Rinaldi, Carlos

2016-12-01

Magnetic nanoparticles in alternating magnetic fields (AMFs) transfer some of the field's energy to their surroundings in the form of heat, a property that has attracted significant attention for use in cancer treatment through hyperthermia and in developing magnetic drug carriers that can be actuated to release their cargo externally using magnetic fields. To date, most work in this field has focused on the use of AMFs that actuate heat release by nanoparticles over large regions, without the ability to select specific nanoparticle-loaded regions for heating while leaving other nanoparticle-loaded regions unaffected. In parallel, magnetic particle imaging (MPI) has emerged as a promising approach to image the distribution of magnetic nanoparticle tracers in vivo, with sub-millimeter spatial resolution. The underlying principle in MPI is the application of a selection magnetic field gradient, which defines a small region of low bias field, superimposed with an AMF (of lower frequency and amplitude than those normally used to actuate heating by the nanoparticles) to obtain a signal which is proportional to the concentration of particles in the region of low bias field. Here we extend previous models for estimating the energy dissipation rates of magnetic nanoparticles in uniform AMFs to provide theoretical predictions of how the selection magnetic field gradient used in MPI can be used to selectively actuate heating by magnetic nanoparticles in the low bias field region of the selection magnetic field gradient. Theoretical predictions are given for the spatial decay in energy dissipation rate under magnetic field gradients representative of those that can be achieved with current MPI technology. These results underscore the potential of combining MPI and higher amplitude/frequency actuation AMFs to achieve selective magnetic fluid hyperthermia (MFH) guided by MPI.
Quasi-linear gyrokinetic predictions of the Coriolis momentum pinch in National Spherical Torus Experiment

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

Guttenfelder, W.; Kaye, S. M.; Ren, Y.

This paper presents quasi-linear gyrokinetic predictions of the Coriolis momentum pinch for low aspect-ratio National Spherical Torus Experiment (NSTX) H-modes where previous experimental measurements were focused. Local, linear calculations predict that in the region of interest (just outside the mid-radius) of these relatively high-beta plasmas, profiles are most unstable to microtearing modes that are only effective in transporting electron energy. However, sub-dominant electromagnetic and electrostaticballooning modes are also unstable, which are effective at transporting energy, particles, and momentum. The quasi-linear prediction of transport from these weaker ballooning modes, assuming they contribute transport in addition to that from microtearing modes inmore » a nonlinear turbulent state, leads to a very small or outward convection of momentum, inconsistent with the experimentally measured inward pinch, and opposite to predictions in conventional aspect ratio tokamaks. Additional predictions of a low beta L-mode plasma, unstable to more traditional electrostatic ion temperature gradient-trapped electron mode instability, show that the Coriolis pinch is inward but remains relatively weak and insensitive to many parameter variations. The weak or outward pinch predicted in NSTX plasmas appears to be at least partially correlated to changes in the parallel mode structure that occur at a finite beta and low aspect ratio, as discussed in previous theories. The only conditions identified where a stronger inward pinch is predicted occur either in the purely electrostatic limit or if the aspect ratio is increased. Lastly, as the Coriolis pinch cannot explain the measured momentum pinch, additional theoretical momentum transport mechanisms are discussed that may be potentially important.« less
Quasi-linear gyrokinetic predictions of the Coriolis momentum pinch in National Spherical Torus Experiment

DOE PAGES

Guttenfelder, W.; Kaye, S. M.; Ren, Y.; ...

2016-05-11

This paper presents quasi-linear gyrokinetic predictions of the Coriolis momentum pinch for low aspect-ratio National Spherical Torus Experiment (NSTX) H-modes where previous experimental measurements were focused. Local, linear calculations predict that in the region of interest (just outside the mid-radius) of these relatively high-beta plasmas, profiles are most unstable to microtearing modes that are only effective in transporting electron energy. However, sub-dominant electromagnetic and electrostaticballooning modes are also unstable, which are effective at transporting energy, particles, and momentum. The quasi-linear prediction of transport from these weaker ballooning modes, assuming they contribute transport in addition to that from microtearing modes inmore » a nonlinear turbulent state, leads to a very small or outward convection of momentum, inconsistent with the experimentally measured inward pinch, and opposite to predictions in conventional aspect ratio tokamaks. Additional predictions of a low beta L-mode plasma, unstable to more traditional electrostatic ion temperature gradient-trapped electron mode instability, show that the Coriolis pinch is inward but remains relatively weak and insensitive to many parameter variations. The weak or outward pinch predicted in NSTX plasmas appears to be at least partially correlated to changes in the parallel mode structure that occur at a finite beta and low aspect ratio, as discussed in previous theories. The only conditions identified where a stronger inward pinch is predicted occur either in the purely electrostatic limit or if the aspect ratio is increased. Lastly, as the Coriolis pinch cannot explain the measured momentum pinch, additional theoretical momentum transport mechanisms are discussed that may be potentially important.« less
Prediction of exercise in patients across various stages of bariatric surgery: a comparison of the merits of the theory of reasoned action versus the theory of planned behavior.

PubMed

Hunt, Hillary R; Gross, Alan M

2009-11-01

Obesity is a world-wide health concern approaching epidemic proportions. Successful long-term treatment involves a combination of bariatric surgery, diet, and exercise. Social cognitive models, such as the Theory of Reasoned Action (TRA) and the Theory of Planned Behavior (TPB), are among the most commonly tested theories utilized in the prediction of exercise. As exercise is not a completely volitional behavior, it is hypothesized that the TPB is a superior theoretical model for the prediction of exercise intentions and behavior. This study tested validity of the TPB in a sample of bariatric patients and further validated its improvement over the TRA in predicting exercise adherence at different operative stages. Results generally confirmed research hypotheses. Superiority of the TPB model was validated in this sample of bariatric patients, and Perceived Behavioral Control emerged as the single-best predictor of both exercise intentions and self-reported behavior. Finally, results suggested that both subjective norms and attitudes toward exercise played a larger role in the prediction of intention and behavior than previously reported.
A collaborative environment for developing and validating predictive tools for protein biophysical characteristics

NASA Astrophysics Data System (ADS)

Johnston, Michael A.; Farrell, Damien; Nielsen, Jens Erik

2012-04-01

The exchange of information between experimentalists and theoreticians is crucial to improving the predictive ability of theoretical methods and hence our understanding of the related biology. However many barriers exist which prevent the flow of information between the two disciplines. Enabling effective collaboration requires that experimentalists can easily apply computational tools to their data, share their data with theoreticians, and that both the experimental data and computational results are accessible to the wider community. We present a prototype collaborative environment for developing and validating predictive tools for protein biophysical characteristics. The environment is built on two central components; a new python-based integration module which allows theoreticians to provide and manage remote access to their programs; and PEATDB, a program for storing and sharing experimental data from protein biophysical characterisation studies. We demonstrate our approach by integrating PEATSA, a web-based service for predicting changes in protein biophysical characteristics, into PEATDB. Furthermore, we illustrate how the resulting environment aids method development using the Potapov dataset of experimentally measured ΔΔGfold values, previously employed to validate and train protein stability prediction algorithms.
A Search for Thorne-Zytkow Objects

NASA Astrophysics Data System (ADS)

Levesque, Emily M.; Massey, P.; Morrell, N.; Zytkow, A.

2014-01-01

Thorne-Zytkow objects (TZOs) are a theoretical class of star in which a compact neutron star is surrounded by a large, diffuse envelope. Supergiant TZOs are predicted to be almost identical in appearance to red supergiants (RSGs), with their very red colors and cool temperatures placing them at the Hayashi limit on the H-R diagram. The best features that can be used at present to distinguish TZOs from the general RSG population are the unusually strong heavy-element lines present in their spectra. These elements are the unique products of the star's fully convective envelope linking the photosphere with the extraordinarily hot burning region in the vicinity of the neutron star core. The positive detection of a TZO would provide the first direct evidence for a completely new model of stellar interiors, a theoretically predicted fate for massive binary systems, and never-before-seen nucleosynthesis processes that would offer a new channel for heavy-element production in our universe. We recently conducted a high-resolution spectroscopic search for TZOs within our previously-studied samples of RSGs in the Milky Way and Magellanic Clouds. Did we find any? We'll know soon! Come to this talk and find out!
Investigation of the spatially anisotropic component of the laterally averaged molecular Hydrogen/Ag(111) physisorption potential

NASA Astrophysics Data System (ADS)

Whaley, K. B.; Yu, C. F.; Hogg, C. S.; Light, J. C.; Sibener, S. J.

1985-08-01

A detailed investigation of the spatially anisotropic component of the laterally averaged molecular hydrogen/Ag(111) physisorption potential is presented. Experimentally derived rotationally inelastic transition probabilities for H2, D2, and HD, taken as a function of collision energy, are compared with those resulting from close-coupled quantum scattering calculations. These calculations utilize exponential-3 and variable exponent parameterizations of the laterally averaged isotropic potential which reproduce the experimental bound state resonance spectra for p-H2 and o-D2 on Ag(111). Complementary information is obtained by analyzing the magnetic sub-level splittings for physisorbed J = 1 n-H2, using diffractive selective adsorption resonance energies calculated with first order perturbation theory. Theoretical predictions for HD/Ag(111) rotationally mediated selective adsorption resonances are also compared with previously reported experimental results, which show well resolved J-dependent energy shifts resulting in part from the orientational anisotropy of the potential. The results obtained in this study indicate that both the attractive and repulsive parts of the anisotropic potential exhibit only a weak orientation dependence, in agreement with recent theoretical predictions for this system.
Investigation of the spatially anisotropic component of the laterally averaged molecular hydrogen/Ag(111) physisorption potential

NASA Astrophysics Data System (ADS)

Whaley, K. Birgitta; Yu, Chien-fan; Hogg, C. S.; Light, John C.; Sibener, S. J.

1985-10-01

A detailed investigation of the spatially anisotropic component of the laterally averaged molecular hydrogen/Ag(111) physisorption potential is presented. Experimentally derived rotationally inelastic transition probabilities for H2, D2, and HD, taken as a function of collision energy, are compared with those resulting from close-coupled quantum scattering calculations. These calculations utilize exponential-3 and variable exponent parametrizations of the laterally averaged isotropic potential which reproduce the experimental bound state resonance spectra for p-H2 and o-D2 on Ag(111). Complementary information is obtained by analyzing the magnetic sublevel splittings for physisorbed J=1 n-H2, using diffractive selective adsorption resonance energies calculated with first order perturbation theory. Theoretical predictions for HD/Ag(111) rotationally mediated selective adsorption resonances are also compared with previously reported experimental results, which show well resolved J-dependent energy shifts resulting in part from the orientational anisotropy of the potential. The results obtained in this study indicate that both the attractive and repulsive parts of the anisotropic potential exhibit only a weak orientation dependence, in agreement with recent theoretical predictions for this system.
Beauty production at CDF

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

Shears, Tara; /Liverpool U.

A review of recent measurements of beauty production, based on proton antiproton collision data at {radical}s = 1.96 TeV and using the CDF detector, is given. Previous measurements of beauty (b) quark production at the Tevatron, carried out at centre-of-mass energies {radical}s = 1.8 TeV, have shown discrepancies when compared to Next to Leading Order (NLO) predictions [1]. Improved predictions and experimental procedures have reduced this discrepancy [2]. Improved parton density functions, better fragmentation functions and more complete theoretical calculations have improved theoretical accuracy. Experimentally, measurements of beauty production at {radical}s = 1.96 TeV are now presented in terms ofmore » b hadrons or B mesons, to avoid problems unfolding back to the quark level. In this review [3] measurements of inclusive beauty (where one beauty jet or hadron is reconstructed in the event), and beauty + X (where X can be a boson or another beauty jet or hadron), production will be presented: inclusive beauty jet cross-section; semi and fully reconstructed B meson cross-section; beauty dijet cross-section; semi-reconstructed B B meson cross-section; Z boson + beauty jet cross-section. More information concerning other measurements of heavy quark production can be found elsewhere [4].« less
A search for hep solar neutrinos at the Sudbury Neutrino Observatory

NASA Astrophysics Data System (ADS)

Winchester, Timothy J.

Solar neutrinos from the fusion hep reaction, (helium-3 fusing with a proton to become helium-4, releasing a positron and neutrino), have previously remained undetected due to their flux being about one one-thousandth that of boron-8 neutrinos. These neutrinos are interesting theoretically because they are less dependent on solar composition than other solar neutrinos, and therefore provide a somewhat independent test of the Standard Solar Model. In this analysis, we develop a new event fitter for existing data from the Sudbury Neutrino Observatory. We also use the fitter to remove backgrounds that previously limited the fiducial volume, which we increase by 30%. We use a modified Wald-Wolfowitz test to increase the amount of live time by 200 days (18%) and show that this data is consistent with the previously-used data. Finally, we develop a Bayesian analysis technique to make full use of the posterior distributions of energy returned by the event fitter. In the first significant detection of hep neutrinos, we find that the most-probable rate of hep events is 3.5 x 10. 4 /cm. 2/s, which is significantly higher than the theoretical prediction. We find that the 95% credible region extends from 1.0 to 7.2 x 10. 4 /cm. 2/s, and that we can therefore exclude a rate of 0 hep events at greater than 95% probability.
An Update on the Non-Mass-Dependent Isotope Fractionation under Thermal Gradient

NASA Technical Reports Server (NTRS)

Sun, Tao; Niles, Paul; Bao, Huiming; Socki, Richard; Liu, Yun

2013-01-01

Mass flow and compositional gradient (elemental and isotope separation) occurs when flu-id(s) or gas(es) in an enclosure is subjected to a thermal gradient, and the phenomenon is named thermal diffusion. Gas phase thermal diffusion has been theoretically and experimentally studied for more than a century, although there has not been a satisfactory theory to date. Nevertheless, for isotopic system, the Chapman-Enskog theory predicts that the mass difference is the only term in the thermal diffusion separation factors that differs one isotope pair to another,with the assumptions that the molecules are spherical and systematic (monoatomic-like structure) and the particle collision is elastic. Our previous report indicates factors may be playing a role because the Non-Mass Dependent (NMD) effect is found for both symmetric and asymmetric, linear and spherical polyatomic molecules over a wide range of temperature (-196C to +237C). The observed NMD phenomenon in the simple thermal-diffusion experiments demands quantitative validation and theoretical explanation. Besides the pressure and temperature dependency illustrated in our previous reports, efforts are made in this study to address issues such as the role of convection or molecular structure and whether it is a transient, non-equilibrium effect only.
Solid phase stability of molybdenum under compression: Sound velocity measurements and first-principles calculations

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

Zhang, Xiulu; Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology, 621010 Mianyang, Sichuan; Liu, Zhongli

2015-02-07

The high-pressure solid phase stability of molybdenum (Mo) has been the center of a long-standing controversy on its high-pressure melting. In this work, experimental and theoretical researches have been conducted to check its solid phase stability under compression. First, we performed sound velocity measurements from 38 to 160 GPa using the two-stage light gas gun and explosive loading in backward- and forward-impact geometries, along with the high-precision velocity interferometry. From the sound velocities, we found no solid-solid phase transition in Mo before shock melting, which does not support the previous solid-solid phase transition conclusion inferred from the sharp drops of themore » longitudinal sound velocity [Hixson et al., Phys. Rev. Lett. 62, 637 (1989)]. Then, we searched its structures globally using the multi-algorithm collaborative crystal structure prediction technique combined with the density functional theory. By comparing the enthalpies of body centered cubic structure with those of the metastable structures, we found that bcc is the most stable structure in the range of 0–300 GPa. The present theoretical results together with previous ones greatly support our experimental conclusions.« less
The Rate of Intramolecular Loop Formation in DNA and Polypeptides: The Absence of the Diffusion-Controlled Limit and Fractional Power-Law Viscosity Dependence

PubMed Central

Cheng, Ryan R.; Uzawa, Takanori; Plaxco, Kevin W.; Makarov, Dmitrii E.

2010-01-01

The problem of determining the rate of end-to-end collisions for polymer chains has attracted the attention of theorists and experimentalists for more than three decades. The typical theoretical approach to this problem has focused on the case where a collision is defined as any instantaneous fluctuation that brings the chain ends to within a specific capture distance. In this paper, we study the more experimentally relevant case, where the end-to-end collision dynamics are probed by measuring the excited state lifetime of a fluorophore (or other lumiphore) attached to one chain end and quenched by a quencher group attached to the other end. Under this regime, a “contact” is defined not by the chain ends approach to within some sharp cutoff but, instead, typically by an exponentially distance-dependent process. Previous theoretical models predict that, if quenching is sufficiently rapid, a diffusion-controlled limit is attained, where such measurements report on the probe-independent, intrinsic end-to-end collision rate. In contrast, our theoretical considerations, simulations, and an analysis of experimental measurements of loop closure rates in single-stranded DNA molecules all indicate that no such limit exists, and that the measured effective collision rate has a nontrivial, fractional power-law dependence on both the intrinsic quenching rate of the fluorophore and the solvent viscosity. We propose a simple scaling formula describing the effective loop closure rate and its dependence on the viscosity, chain length, and properties of the probes. Previous theoretical results are limiting cases of this more general formula. PMID:19780594
a Theoretical and Experimental Investigation of 1/F Noise in the Alpha Decay Rates of AMERICIUM-241.

NASA Astrophysics Data System (ADS)

Pepper, Gary T.

New experimental methods and data analysis techniques were used to investigate the hypothesis of the existence of 1/f noise in a alpha particle emission rates for ^{241}Am. Experimental estimates of the flicker floor were found to be almost two orders of magnitude less than Handel's theoretical prediction and previous measurements. The existence of a flicker floor for ^{57}Co decay, a process for which no charged particles are emitted, indicate that instrumental instability is likely responsible for the values of the flicker floor obtained. The experimental results and the theoretical arguments presented indicate that a re-examination of Handel's theory of 1/f noise is appropriate. Methods of numerical simulation of noise processes with a 1/f^{rm n} power spectral density were developed. These were used to investigate various statistical aspects of 1/f ^{rm n} noise. The probability density function for the Allan variance was investigated in order to establish confidence limits for the observations made. The effect of using grouped (correlated) data, for evaluating the Allan variance, was also investigated.
Analytical mesoscale modeling of aeolian sand transport

NASA Astrophysics Data System (ADS)

Lämmel, Marc; Kroy, Klaus

2017-11-01

The mesoscale structure of aeolian sand transport determines a variety of natural phenomena studied in planetary and Earth science. We analyze it theoretically beyond the mean-field level, based on the grain-scale transport kinetics and splash statistics. A coarse-grained analytical model is proposed and verified by numerical simulations resolving individual grain trajectories. The predicted height-resolved sand flux and other important characteristics of the aeolian transport layer agree remarkably well with a comprehensive compilation of field and wind-tunnel data, suggesting that the model robustly captures the essential mesoscale physics. By comparing the predicted saturation length with field data for the minimum sand-dune size, we elucidate the importance of intermittent turbulent wind fluctuations for field measurements and reconcile conflicting previous models for this most enigmatic emergent aeolian scale.

Application of the Refined Integral Method in the mathematical modeling of drug delivery from one-layer torus-shaped devices.

PubMed

Helbling, Ignacio M; Ibarra, Juan C D; Luna, Julio A

2012-02-28

A mathematical modeling of controlled release of drug from one-layer torus-shaped devices is presented. Analytical solutions based on Refined Integral Method (RIM) are derived. The validity and utility of the model are ascertained by comparison of the simulation results with matrix-type vaginal rings experimental release data reported in the literature. For the comparisons, the pair-wise procedure is used to measure quantitatively the fit of the theoretical predictions to the experimental data. A good agreement between the model prediction and the experimental data is observed. A comparison with a previously reported model is also presented. More accurate results are achieved for small A/C(s) ratios. Copyright © 2011 Elsevier B.V. All rights reserved.
Laminar Heat-Transfer and Pressure-Distribution Studies on a Series of Reentry Nose Shapes at a Mach Number of 19.4 in Helium

NASA Technical Reports Server (NTRS)

Wagner, Richard D., Jr.; Pine, W. Clint; Henderson, Arthur, Jr.

1961-01-01

An experimental investigation has been conducted in the 2-inch helium tunnel at the Langley Research Center at a Mach number of 19.4 to determine the pressure distributions and heat-transfer characteristics of a family of reentry nose shapes. The pressure and heat-transfer-rate distributions on the nose shapes are compared with theoretical predictions to ascertain the limitations and validity of the theories at hypersonic speeds. The experimental results were found to be adequately predicted by existing theories. Two of the nose shapes were tested with variable-length flow-separation spikes. The results obtained by previous investigators of spike-nose bodies were found to prevail at the higher Mach number of the present investigation.
Two-phase interdigitated microelectrode arrays for electrokinetic transport of microparticles

NASA Astrophysics Data System (ADS)

Bligh, Mathew; Stanley, Kevin G.; Hubbard, Ted; Kujath, Marek

2008-05-01

In this paper, we demonstrate long-range particle transport using linear two-phase interdigitated arrays with electrodes of equal size but with asymmetric spacing between them. We report net motion of 6 µm polystyrene spheres in an aqueous electrolyte and characterize the dependence of particle velocity on frequency, potential and phase, and show consistency with previous experiments that involved four-phase arrays producing AC electroosmotic and dielectrophoretic forces. We explore the effect of increasing the asymmetry of the electrode spacing and show that this decreases the performance of the array. We also examine the effect of increasing the overall scale of the array while maintaining geometric proportions and particle size and report that this also decreases the performance. We compare our results to previous analytical theoretical predictions and find general agreement.
Comparison of experimental surface pressures with theoretical predictions on twin two-dimensional convergent-divergent nozzles

NASA Technical Reports Server (NTRS)

Carlson, J. R.; Pendergraft, O. C., Jr.; Burley, J. R., II

1986-01-01

A three-dimensional subsonic aerodynamic panel code (VSAERO) was used to predict the effects of upper and lower external nozzle flap geometry on the external afterbody/nozzle pressure coefficient distributions and external nozzle drag of nonaxisymmetric convergent-divergent exhaust nozzles having parallel external sidewalls installed on a generic twin-engine high performance aircraft model. Nozzle static pressure coefficient distributions along the upper and lower surfaces near the model centerline and near the outer edges (corner) of the two surfaces were calculated, and nozzle drag was predicted using these surface pressure distributions. A comparison between the theoretical predictions and experimental wind tunnel data is made to evaluate the utility of the code in calculating the flow about these types of non-axisymmetric afterbody configurations. For free-stream Mach numbers of 0.60 and 0.90, the conditions where the flows were attached on the boattails yielded the best comparison between the theoretical predictions and the experimental data. For the Boattail terminal angles of greater than 15 deg., the experimental data for M = 0.60 and 0.90 indicated areas of separated flow, so the theoretical predictions failed to match the experimental data. Even though calculations of regions of separated flows are within the capabilities of the theoretical method, acceptable solutions were not obtained.
Theoretical analysis of Lumry-Eyring models in differential scanning calorimetry

PubMed Central

Sanchez-Ruiz, Jose M.

1992-01-01

A theoretical analysis of several protein denaturation models (Lumry-Eyring models) that include a rate-limited step leading to an irreversibly denatured state of the protein (the final state) has been carried out. The differential scanning calorimetry transitions predicted for these models can be broadly classified into four groups: situations A, B, C, and C′. (A) The transition is calorimetrically irreversible but the rate-limited, irreversible step takes place with significant rate only at temperatures slightly above those corresponding to the transition. Equilibrium thermodynamics analysis is permissible. (B) The transition is distorted by the occurrence of the rate-limited step; nevertheless, it contains thermodynamic information about the reversible unfolding of the protein, which could be obtained upon the appropriate data treatment. (C) The heat absorption is entirely determined by the kinetics of formation of the final state and no thermodynamic information can be extracted from the calorimetric transition; the rate-determining step is the irreversible process itself. (C′) same as C, but, in this case, the rate-determining step is a previous step in the unfolding pathway. It is shown that ligand and protein concentration effects on transitions corresponding to situation C (strongly rate-limited transitions) are similar to those predicted by equilibrium thermodynamics for simple reversible unfolding models. It has been widely held in recent literature that experimentally observed ligand and protein concentration effects support the applicability of equilibrium thermodynamics to irreversible protein denaturation. The theoretical analysis reported here disfavors this claim. PMID:19431826
Theory of excess noise in unstable resonator lasers

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

Lamprecht, C.; Ritsch, H.

2002-11-01

We theoretically investigate the quantum dynamics of an unstable resonator laser. Compared to a stable cavity laser of equal gain and loss it exhibits a K-fold enhanced linewidth. This excess noise factor K is a measure of the nonorthogonality of the resonator eigenmodes and amounts to an enlargement of the quantum vacuum fluctuations. Using a quantum treatment starting from first principles based on the nonorthogonal eigenmodes, we put previous theoretical predictions onto a more firm ground. While we find a position-dependent enhancement of the spontaneous emission rate into an empty mode of only {radical}(K), the constructive quantum interference of themore » spontaneous emission with a single oscillating mode lets the Petermann excess noise factor K reappear in the phase diffusion (laser linewidth). Hence locally enhanced spontaneous emission as well as noise enhanced by interference (amplified spontaneous emission) play an equal role in the origin of excess noise.« less
Understanding and controlling plasmon-induced convection

NASA Astrophysics Data System (ADS)

Roxworthy, Brian J.; Bhuiya, Abdul M.; Vanka, Surya P.; Toussaint, Kimani C.

2014-01-01

The heat generation and fluid convection induced by plasmonic nanostructures is attractive for optofluidic applications. However, previously published theoretical studies predict only nanometre per second fluid velocities that are inadequate for microscale mass transport. Here we show both theoretically and experimentally that an array of plasmonic nanoantennas coupled to an optically absorptive indium-tin-oxide (ITO) substrate can generate >micrometre per second fluid convection. Crucially, the ITO distributes thermal energy created by the nanoantennas generating an order of magnitude increase in convection velocities compared with nanoantennas on a SiO2 base layer. In addition, the plasmonic array alters absorption in the ITO, causing a deviation from Beer-Lambert absorption that results in an optimum ITO thickness for a given system. This work elucidates the role of convection in plasmonic optical trapping and particle assembly, and opens up new avenues for controlling fluid and mass transport on the micro- and nanoscale.
Total Top-Quark Pair-Production Cross Section at Hadron Colliders Through O(αS4)

NASA Astrophysics Data System (ADS)

Czakon, Michał; Fiedler, Paul; Mitov, Alexander

2013-06-01

We compute the next-to-next-to-leading order (NNLO) quantum chromodynamics (QCD) correction to the total cross section for the reaction gg→tt¯+X. Together with the partonic channels we computed previously, the result derived in this Letter completes the set of NNLO QCD corrections to the total top pair-production cross section at hadron colliders. Supplementing the fixed order results with soft-gluon resummation with next-to-next-to-leading logarithmic accuracy, we estimate that the theoretical uncertainty of this observable due to unknown higher order corrections is about 3% at the LHC and 2.2% at the Tevatron. We observe a good agreement between the standard model predictions and the available experimental measurements. The very high theoretical precision of this observable allows a new level of scrutiny in parton distribution functions and new physics searches.
Total top-quark pair-production cross section at hadron colliders through O(αS(4)).

PubMed

Czakon, Michał; Fiedler, Paul; Mitov, Alexander

2013-06-21

We compute the next-to-next-to-leading order (NNLO) quantum chromodynamics (QCD) correction to the total cross section for the reaction gg → tt + X. Together with the partonic channels we computed previously, the result derived in this Letter completes the set of NNLO QCD corrections to the total top pair-production cross section at hadron colliders. Supplementing the fixed order results with soft-gluon resummation with next-to-next-to-leading logarithmic accuracy, we estimate that the theoretical uncertainty of this observable due to unknown higher order corrections is about 3% at the LHC and 2.2% at the Tevatron. We observe a good agreement between the standard model predictions and the available experimental measurements. The very high theoretical precision of this observable allows a new level of scrutiny in parton distribution functions and new physics searches.
Multi-scale integration and predictability in resting state brain activity

PubMed Central

Kolchinsky, Artemy; van den Heuvel, Martijn P.; Griffa, Alessandra; Hagmann, Patric; Rocha, Luis M.; Sporns, Olaf; Goñi, Joaquín

2014-01-01

The human brain displays heterogeneous organization in both structure and function. Here we develop a method to characterize brain regions and networks in terms of information-theoretic measures. We look at how these measures scale when larger spatial regions as well as larger connectome sub-networks are considered. This framework is applied to human brain fMRI recordings of resting-state activity and DSI-inferred structural connectivity. We find that strong functional coupling across large spatial distances distinguishes functional hubs from unimodal low-level areas, and that this long-range functional coupling correlates with structural long-range efficiency on the connectome. We also find a set of connectome regions that are both internally integrated and coupled to the rest of the brain, and which resemble previously reported resting-state networks. Finally, we argue that information-theoretic measures are useful for characterizing the functional organization of the brain at multiple scales. PMID:25104933
Radiation Pressure Cooling as a Quantum Dynamical Process

NASA Astrophysics Data System (ADS)

He, Bing; Yang, Liu; Lin, Qing; Xiao, Min

2017-06-01

One of the most fundamental problems in optomechanical cooling is how small the thermal phonon number of a mechanical oscillator can be achieved under the radiation pressure of a proper cavity field. Different from previous theoretical predictions, which were based on an optomechanical system's time-independent steady states, we treat such cooling as a dynamical process of driving the mechanical oscillator from its initial thermal state, due to its thermal equilibrium with the environment, to a stabilized quantum state of higher purity. We find that the stabilized thermal phonon number left in the end actually depends on how fast the cooling process could be. The cooling speed is decided by an effective optomechanical coupling intensity, which constitutes an essential parameter for cooling, in addition to the sideband resolution parameter that has been considered in other theoretical studies. The limiting thermal phonon number that any cooling process cannot surpass exhibits a discontinuous jump across a certain value of the parameter.
Stereotype Threat and College Academic Performance: A Latent Variables Approach*

PubMed Central

Owens, Jayanti; Massey, Douglas S.

2013-01-01

Stereotype threat theory has gained experimental and survey-based support in helping explain the academic underperformance of minority students at selective colleges and universities. Stereotype threat theory states that minority students underperform because of pressures created by negative stereotypes about their racial group. Past survey-based studies, however, are characterized by methodological inefficiencies and potential biases: key theoretical constructs have only been measured using summed indicators and predicted relationships modeled using ordinary least squares. Using the National Longitudinal Survey of Freshman, this study overcomes previous methodological shortcomings by developing a latent construct model of stereotype threat. Theoretical constructs and equations are estimated simultaneously from multiple indicators, yielding a more reliable, valid, and parsimonious test of key propositions. Findings additionally support the view that social stigma can indeed have strong negative effects on the academic performance of pejoratively stereotyped racial-minority group members, not only in laboratory settings, but also in the real world. PMID:23950616
Surface half-metallicity of CrS thin films and perfect spin filtering and spin diode effects of CrS/ZnSe heterostructure

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

Gao, G. Y., E-mail: guoying-gao@mail.hust.edu.cn; Yao, K. L., E-mail: klyao@mail.hust.edu.cn

2014-11-03

Recently, ferromagnetic zinc-blende Mn{sub 1−x}Cr{sub x}S thin films (above x = 0.5) were fabricated experimentally on ZnSe substrate, which confirmed the previous theoretical prediction of half-metallic ferromagnetism in zinc-blende CrS. Here, we theoretically reveal that both Cr- and S-terminated (001) surfaces of the CrS thin films retain the half-metallicity. The CrS/ZnSe(001) heterogeneous junction exhibits excellent spin filtering and spin diode effects, which are explained by the calculated band structure and transmission spectra. The perfect spin transport properties indicate the potential applications of half-metallic CrS in spintronic devices. All computational results are obtained by using the density functional theory combined with nonequilibrium Green'smore » function.« less
Motivation in later life: theory and assessment.

PubMed

Vallerand, R J; O'Connor, B P; Hamel, M

1995-01-01

A framework that has been found useful in research on young adults, Deci and Ryan's self-determination theory [1, 2], is suggested as a promising direction for research on motivation in later life. The theory proposes the existence of four types of motivation (intrinsic, self-determined extrinsic, nonself-determined extrinsic, and amotivation) which are assumed to have varying consequences for adaptation and well-being. A previously published French measure of motivational styles which is known to be reliable and valid was translated into English and was tested on seventy-seven nursing home residents (aged 60 to 98 years). It was found that the four motivational styles can be reliably measured; that the intercorrelations between the motivational styles are consistent with theoretical predictions; and that the four types of motivation are related to other important aspects of the lives of elderly people in a theoretically meaningful manner. Suggestions are made for further research using self-determination theory and the present scales.
First measurement of the ratio of central-electron to forward-electron W partial cross sections in pp[over] collisions at (square root)s =1.96 TeV.

PubMed

Abulencia, A; Adelman, J; Affolder, T; Akimoto, T; Albrow, M G; Amerio, S; Amidei, D; Anastassov, A; Anikeev, K; Annovi, A; Antos, J; Aoki, M; Apollinari, G; Arisawa, T; Artikov, A; Ashmanskas, W; Attal, A; Aurisano, A; Azfar, F; Azzi-Bacchetta, P; Azzurri, P; Bacchetta, N; Badgett, W; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Baroiant, S; Bartsch, V; Bauer, G; Beauchemin, P-H; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Belloni, A; Benjamin, D; Beretvas, A; Beringer, J; Berry, T; Bhatti, A; Binkley, M; Bisello, D; Bizjak, I; Blair, R E; Blocker, C; Blumenfeld, B; Bocci, A; Bodek, A; Boisvert, V; Bolla, G; Bolshov, A; Bortoletto, D; Boudreau, J; Boveia, A; Brau, B; Brigliadori, L; Bromberg, C; Brubaker, E; Budagov, J; Budd, H S; Budd, S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Byrum, K L; Cabrera, S; Campanelli, M; Campbell, M; Canelli, F; Canepa, A; Carillo, S; Carlsmith, D; Carosi, R; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chang, S H; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, I; Cho, K; Chokheli, D; Chou, J P; Choudalakis, G; Chuang, S H; Chung, K; Chung, W H; Chung, Y S; Cilijak, M; Ciobanu, C I; Ciocci, M A; Clark, A; Clark, D; Coca, M; Compostella, G; Convery, M E; Conway, J; Cooper, B; Copic, K; Cordelli, M; Cortiana, G; Crescioli, F; Almenar, C Cuenca; Cuevas, J; Culbertson, R; Cully, J C; DaRonco, S; Datta, M; D'Auria, S; Davies, T; Dagenhart, D; de Barbaro, P; De Cecco, S; Deisher, A; De Lentdecker, G; De Lorenzo, G; Dell'Orso, M; Delli Paoli, F; Demortier, L; Deng, J; Deninno, M; De Pedis, D; Derwent, P F; Giovanni, G P Di; Dionisi, C; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Dörr, C; Donati, S; Dong, P; Donini, J; Dorigo, T; Dube, S; Efron, J; Erbacher, R; Errede, D; Errede, S; Eusebi, R; Fang, H C; Farrington, S; Fedorko, I; Fedorko, W T; Feild, R G; Feindt, M; Fernandez, J P; Field, R; Flanagan, G; Forrest, R; Forrester, S; Franklin, M; Freeman, J C; Furic, I; Gallinaro, M; Galyardt, J; Garcia, J E; Garberson, F; Garfinkel, A F; Gay, C; Gerberich, H; Gerdes, D; Giagu, S; Giannetti, P; Gibson, K; Gimmell, J L; Ginsburg, C; Giokaris, N; Giordani, M; Giromini, P; Giunta, M; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldschmidt, N; Goldstein, J; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gresele, A; Grinstein, S; Grosso-Pilcher, C; Grundler, U; Guimaraes da Costa, J; Gunay-Unalan, Z; Haber, C; Hahn, K; Hahn, S R; Halkiadakis, E; Hamilton, A; Han, B-Y; Han, J Y; Handler, R; Happacher, F; Hara, K; Hare, D; Hare, M; Harper, S; Harr, R F; Harris, R M; Hartz, M; Hatakeyama, K; Hauser, J; Hays, C; Heck, M; Heijboer, A; Heinemann, B; Heinrich, J; Henderson, C; Herndon, M; Heuser, J; Hidas, D; Hill, C S; Hirschbuehl, D; Hocker, A; Holloway, A; Hou, S; Houlden, M; Hsu, S-C; Huffman, B T; Hughes, R E; Husemann, U; Huston, J; Incandela, J; Introzzi, G; Iori, M; Ivanov, A; Iyutin, B; James, E; Jang, D; Jayatilaka, B; Jeans, D; Jeon, E J; Jindariani, S; Johnson, W; Jones, M; Joo, K K; Jun, S Y; Jung, J E; Junk, T R; Kamon, T; Karchin, P E; Kato, Y; Kemp, Y; Kephart, R; Kerzel, U; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kimura, N; Kirsch, L; Klimenko, S; Klute, M; Knuteson, B; Ko, B R; Kondo, K; Kong, D J; Konigsberg, J; Korytov, A; Kotwal, A V; Kraan, A C; Kraus, J; Kreps, M; Kroll, J; Krumnack, N; Kruse, M; Krutelyov, V; Kubo, T; Kuhlmann, S E; Kuhr, T; Kulkarni, N P; Kusakabe, Y; Kwang, S; Laasanen, A T; Lai, S; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; Lazzizzera, I; LeCompte, T; Lee, J; Lee, J; Lee, Y J; Lee, S W; Lefèvre, R; Leonardo, N; Leone, S; Levy, S; Lewis, J D; Lin, C; Lin, C S; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, T; Lockyer, N S; Loginov, A; Loreti, M; Lu, R-S; Lucchesi, D; Lujan, P; Lukens, P; Lungu, G; Lyons, L; Lys, J; Lysak, R; Lytken, E; Mack, P; MacQueen, D; Madrak, R; Maeshima, K; Makhoul, K; Maki, T; Maksimovic, P; Malde, S; Malik, S; Manca, G; Manousakis, A; Margaroli, F; Marginean, R; Marino, C; Marino, C P; Martin, A; Martin, M; Martin, V; Martínez, M; Martínez-Ballarín, R; Maruyama, T; Mastrandrea, P; Masubuchi, T; Matsunaga, H; Mattson, M E; Mazini, R; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Menzemer, S; Menzione, A; Merkel, P; Mesropian, C; Messina, A; Miao, T; Miladinovic, N; Miles, J; Miller, R; Mills, C; Milnik, M; Mitra, A; Mitselmakher, G; Miyamoto, A; Moed, S; Moggi, N; Mohr, B; Moon, C S; Moore, R; Morello, M; Fernandez, P Movilla; Mülmenstädt, J; Mukherjee, A; Muller, Th; Mumford, R; Murat, P; Mussini, M; Nachtman, J; Nagano, A; Naganoma, J; Nakamura, K; Nakano, I; Napier, A; Necula, V; Neu, C; Neubauer, M S; Nielsen, J; Nodulman, L; Norniella, O; Nurse, E; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Oldeman, R; Orava, R; Osterberg, K; Pagliarone, C; Palencia, E; Papadimitriou, V; Papaikonomou, A; Paramonov, A A; Parks, B; Pashapour, S; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pellett, D E; Penzo, A; Phillips, T J; Piacentino, G; Piedra, J; Pinera, L; Pitts, K; Plager, C; Pondrom, L; Portell, X; Poukhov, O; Pounder, N; Prakoshyn, F; Pronko, A; Proudfoot, J; Ptohos, F; Punzi, G; Pursley, J; Rademacker, J; Rahaman, A; Ramakrishnan, V; Ranjan, N; Redondo, I; Reisert, B; Rekovic, V; Renton, P; Rescigno, M; Richter, S; Rimondi, F; Ristori, L; Robson, A; Rodrigo, T; Rogers, E; Rolli, S; Roser, R; Rossi, M; Rossin, R; Roy, P; Ruiz, A; Russ, J; Rusu, V; Saarikko, H; Safonov, A; Sakumoto, W K; Salamanna, G; Saltó, O; Santi, L; Sarkar, S; Sartori, L; Sato, K; Savard, P; Savoy-Navarro, A; Scheidle, T; Schlabach, P; Schmidt, E E; Schmidt, M P; Schmitt, M; Schwarz, T; Scodellaro, L; Scott, A L; Scribano, A; Scuri, F; Sedov, A; Seidel, S; Seiya, Y; Semenov, A; Sexton-Kennedy, L; Sfyrla, A; Shalhout, S Z; Shapiro, M D; Shears, T; Shepard, P F; Sherman, D; Shimojima, M; Shochet, M; Shon, Y; Shreyber, I; Sidoti, A; Sinervo, P; Sisakyan, A; Slaughter, A J; Slaunwhite, J; Sliwa, K; Smith, J R; Snider, F D; Snihur, R; Soderberg, M; Soha, A; Somalwar, S; Sorin, V; Spalding, J; Spinella, F; Spreitzer, T; Squillacioti, P; Stanitzki, M; Staveris-Polykalas, A; Denis, R St; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Stuart, D; Suh, J S; Sukhanov, A; Sun, H; Suslov, I; Suzuki, T; Taffard, A; Takashima, R; Takeuchi, Y; Tanaka, R; Tecchio, M; Teng, P K; Terashi, K; Thom, J; Thompson, A S; Thomson, E; Tipton, P; Tiwari, V; Tkaczyk, S; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Tourneur, S; Trischuk, W; Tsuno, S; Tu, Y; Turini, N; Ukegawa, F; Uozumi, S; Vallecorsa, S; van Remortel, N; Varganov, A; Vataga, E; Vazquez, F; Velev, G; Vellidis, C; Veramendi, G; Veszpremi, V; Vidal, M; Vidal, R; Vila, I; Vilar, R; Vine, T; Vollrath, I; Volobouev, I; Volpi, G; Würthwein, F; Wagner, P; Wagner, R G; Wagner, R L; Wagner, J; Wagner, W; Wallny, R; Wang, S M; Warburton, A; Waters, D; Weinberger, M; Wester, W C; Whitehouse, B; Whiteson, D; Wicklund, A B; Wicklund, E; Williams, G; Williams, H H; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, C; Wright, T; Wu, X; Wynne, S M; Yagil, A; Yamamoto, K; Yamaoka, J; Yamashita, T; Yang, C; Yang, U K; Yang, Y C; Yao, W M; Yeh, G P; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Yu, S S; Yun, J C; Zanello, L; Zanetti, A; Zaw, I; Zhang, X; Zhou, J; Zucchelli, S

2007-06-22

We present a measurement of sigma(pp[over] --> W) x B(W --> e nu) at (square root)s = 1.96 TeV, using electrons identified in the forward region (1.2 < |eta| < 2.8) of the CDF II detector, in 223 pb(-1) of data. We measure sigma x B = 2796 +/- 13(stat)(-90)(+95)(syst) +/- 162(lum) pb. Combining this result with a previous CDF measurement obtained using electrons in the central region (|eta| approximately < 1), we present the first measurement of the ratio of central-electron to forward-electron W partial cross sections R(exp) = 0.925 +/- 0.006(stat) +/- 0.032(syst), consistent with theoretical predictions using Coordinated Theoretical-Experimental Project on QCD (CTEQ) and Martin-Roberts-Stirling-Thorne (MRST) parton distribution functions.
Identifying Few-Molecule Water Clusters with High Precision on Au(111) Surface.

PubMed

Dong, Anning; Yan, Lei; Sun, Lihuan; Yan, Shichao; Shan, Xinyan; Guo, Yang; Meng, Sheng; Lu, Xinghua

2018-06-01

Revealing the nature of a hydrogen-bond network in water structures is one of the imperative objectives of science. With the use of a low-temperature scanning tunneling microscope, water clusters on a Au(111) surface were directly imaged with molecular resolution by a functionalized tip. The internal structures of the water clusters as well as the geometry variations with the increase of size were identified. In contrast to a buckled water hexamer predicted by previous theoretical calculations, our results present deterministic evidence for a flat configuration of water hexamers on Au(111), corroborated by density functional theory calculations with properly implemented van der Waals corrections. The consistency between the experimental observations and improved theoretical calculations not only renders the internal structures of absorbed water clusters unambiguously, but also directly manifests the crucial role of van der Waals interactions in constructing water-solid interfaces.
High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiOn/TiOn+, n = 1 and 2).

PubMed

Pan, Yi; Luo, Zhihong; Chang, Yih-Chung; Lau, Kai-Chung; Ng, C Y

2017-01-26

The ionization energies (IEs) of TiO and TiO 2 and the 0 K bond dissociation energies (D 0 ) and the heats of formation at 0 K (ΔH° f0 ) and 298 K (ΔH° f298 ) for TiO/TiO + and TiO 2 /TiO 2 + are predicted by the wave-function-based CCSDTQ/CBS approach. The CCSDTQ/CBS calculations involve the approximation to the complete basis set (CBS) limit at the coupled cluster level up to full quadruple excitations along with the zero-point vibrational energy (ZPVE), high-order correlation (HOC), core-valence (CV) electronic, spin-orbit (SO) coupling, and scalar relativistic (SR) effect corrections. The present calculations yield IE(TiO) = 6.815 eV and are in good agreement with the experimental IE value of 6.819 80 ± 0.000 10 eV determined in a two-color laser-pulsed field ionization-photoelectron (PFI-PE) study. The CCSDT and MRCI+Q methods give the best predictions to the harmonic frequencies: ω e (ω e + ) = 1013 (1069) and 1027 (1059) cm -1 and the bond lengths r e (r e + ) = 1.625 (1.587) and 1.621 (1.588) Å, for TiO (TiO + ) compared with the experimental values. Two nearly degenerate, stable structures are found for TiO 2 cation: TiO 2 + (C 2v ) structure has two equivalent TiO bonds, while the TiO 2 + (C s ) structure features a long and a short TiO bond. The IEs for the TiO 2 + (C 2v )←TiO 2 and TiO 2 + (C s )←TiO 2 ionization transitions are calculated to be 9.515 and 9.525 eV, respectively, giving the theoretical adiabatic IE value in good agreement with the experiment IE(TiO 2 ) = 9.573 55 ± 0.000 15 eV obtained in the previous vacuum ultraviolet (VUV)-PFI-PE study of TiO 2 . The potential energy surface of TiO 2 + along the normal vibrational coordinates of asymmetric stretching mode (ω 3 + ) is nearly flat and exhibits a double-well potential with the well of TiO 2 + (C s ) situated around the central well of TiO 2 + (C 2v ). This makes the theoretical calculation of ω 3 + infeasible. For the symmetric stretching (ω 1 + ), the current theoretical predictions overestimate the experimental value of 829.1 ± 2.0 cm -1 by more than 100 cm -1 . This work together with the previous experimental and theoretical investigations supports the conclusion that the CCSDTQ/CBS approach is capable of providing reliable IE and D 0 predictions for TiO/TiO + and TiO 2 /TiO 2 + with error limits less than or equal to 60 meV. The CCSDTQ/CBS calculations give the predictions of D 0 (Ti + -O) - D 0 (Ti-O) = 0.004 eV and D 0 (O-TiO) - D 0 (O-TiO + ) = 2.699 eV, which are also consistent with the respective experimental determination of 0.008 32 ± 0.000 10 and 2.753 75 ± 0.000 18 eV.
Chemistry in dynamically evolving clouds

NASA Technical Reports Server (NTRS)

Tarafdar, S. P.; Prasad, S. S.; Huntress, W. T., Jr.; Villere, K. R.; Black, D. C.

1985-01-01

A unified model of chemical and dynamical evolution of isolated, initially diffuse and quiescent interstellar clouds is presented. The model uses a semiempirically derived dependence of the observed cloud temperatures on the visual extinction and density. Even low-mass, low-density, diffuse clouds can collapse in this model, because the inward pressure gradient force assists gravitational contraction. In contrast, previous isothermal collapse models required the low-mass diffuse clouds to be unrealistically cold before gravitational contraction could start. Theoretically predicted dependences of the column densities of various atoms and molecules, such as C and CO, on visual extinction in diffuse clouds are in accord with observations. Similarly, the predicted dependences of the fractional abundances of various chemical species (e.g., CO, H2CO, HCN, HCO(+)) on the total hydrogen density in the core of the dense clouds also agree with observations reported to date in the literature. Compared with previous models of interstellar chemistry, the present model has the potential to explain the wide spectrum of chemical and physical properties of both diffuse and dense clouds with a common formalism employing only a few simple initial conditions.
Experimental measurement of coil-rod-coil block copolymer tracer diffusion through entangled coil homopolymers

PubMed Central

Wang, Muzhou; Timachova, Ksenia; Olsen, Bradley D.

2014-01-01

The diffusion of coil-rod-coil triblock copolymers in entangled coil homopolymers is experimentally measured and demonstrated to be significantly slower than rod or coil homopolymers of the same molecular weight. A model coil-rod-coil triblock was prepared by expressing rodlike alanine-rich α-helical polypeptides in E. coli and conjugating coillike poly(ethylene oxide) (PEO) to both ends to form coil-rod-coil triblock copolymers. Tracer diffusion through entangled PEO homopolymer melts was measured using forced Rayleigh scattering at various rod lengths, coil molecular weights, and coil homopolymer concentrations. For rod lengths, L, that are close to the entanglementh length, a, the ratio between triblock diffusivity and coil homopolymer diffusivity decreases monotonically and is only a function of L/a, in quantitative agreement with previous simulation results. For large rod lengths, diffusion follows an arm retraction scaling, which is also consistent with previous theoretical predictions. These experimental results support the key predictions of theory and simulation, suggesting that the mismatch in curvature between rod and coil entanglement tubes leads to the observed diffusional slowing. PMID:25484454
Within tree variation of lignin, extractives, and microfibril angle coupled with the theoretical and near infrared modeling of microfibril angle

Treesearch

Brian K. Via; chi L. So; Leslie H. Groom; Todd F. Shupe; michael Stine; Jan Wikaira

2007-01-01

A theoretical model was built predicting the relationship between microfibril angle and lignin content at the Angstrom (A) level. Both theoretical and statistical examination of experimental data supports a square root transformation of lignin to predict microfibril angle. The experimental material used came from 10 longleaf pine (Pinus palustris)...

Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, and trimethylgermyl derivatives of 3,3-dimethylcyclopropene II. 3,3-Dimethyl-1,2-bis(trimethylsilyl)cyclopropene

NASA Astrophysics Data System (ADS)

Panchenko, Yu. N.; De Maré, G. R.; Abramenkov, A. V.; Baird, M. S.; Tverezovsky, V. V.; Nizovtsev, A. V.; Bolesov, I. G.

2003-07-01

The IR and Raman spectra of 3,3-dimethyl-1,2-bis(trimethylsilyl)cyclopropene (I) (synthesised using standard procedures) were measured in the liquid phase. Total geometry optimisation was performed at the HF/6-31G* level. The HF/6-31G*//HF/6-31G* quantum mechanical force field (QMFF) was calculated and used to determine the theoretical fundamental vibrational frequencies, their predicted IR intensities, Raman activities, and Raman depolarisation ratios. Using Pulay's scaling method and the theoretical molecular geometry, the QMFF of I was scaled by a set of scaling factors used previously for 3,3-dimethyl-1,2-bis(tert-butyl)cyclopropene (17 scale factors for a 105-dimensional problem). The scaled QMFF obtained was used to solve the vibrational problem. The quantum mechanical values of the Raman activities were converted to differential Raman cross sections. The figures for the experimental and theoretical Raman and IR spectra are presented. Assignments of the experimental vibrational spectra of I are given. They take into account the calculated potential energy distribution and the correlation between the estimations of the experimental IR and Raman intensities and Raman depolarisation ratios and the corresponding theoretical values (including Raman cross sections) calculated using the unscaled QMFF.
Predicting power-optimal kinematics of avian wings

PubMed Central

Parslew, Ben

2015-01-01

A theoretical model of avian flight is developed which simulates wing motion through a class of methods known as predictive simulation. This approach uses numerical optimization to predict power-optimal kinematics of avian wings in hover, cruise, climb and descent. The wing dynamics capture both aerodynamic and inertial loads. The model is used to simulate the flight of the pigeon, Columba livia, and the results are compared with previous experimental measurements. In cruise, the model unearths a vast range of kinematic modes that are capable of generating the required forces for flight. The most efficient mode uses a near-vertical stroke–plane and a flexed-wing upstroke, similar to kinematics recorded experimentally. In hover, the model predicts that the power-optimal mode uses an extended-wing upstroke, similar to hummingbirds. In flexing their wings, pigeons are predicted to consume 20% more power than if they kept their wings full extended, implying that the typical kinematics used by pigeons in hover are suboptimal. Predictions of climbing flight suggest that the most energy-efficient way to reach a given altitude is to climb as steeply as possible, subjected to the availability of power. PMID:25392398
Drag, but not buoyancy, affects swim speed in captive Steller sea lions

PubMed Central

Suzuki, Ippei; Sato, Katsufumi; Fahlman, Andreas; Naito, Yasuhiko; Miyazaki, Nobuyuki; Trites, Andrew W.

2014-01-01

ABSTRACT Swimming at an optimal speed is critical for breath-hold divers seeking to maximize the time they can spend foraging underwater. Theoretical studies have predicted that the optimal swim speed for an animal while transiting to and from depth is independent of buoyancy, but is dependent on drag and metabolic rate. However, this prediction has never been experimentally tested. Our study assessed the effects of buoyancy and drag on the swim speed of three captive Steller sea lions (Eumetopias jubatus) that made 186 dives. Our study animals were trained to dive to feed at fixed depths (10–50 m) under artificially controlled buoyancy and drag conditions. Buoyancy and drag were manipulated using a pair of polyvinyl chloride (PVC) tubes attached to harnesses worn by the sea lions, and buoyancy conditions were designed to fall within the natural range of wild animals (∼12–26% subcutaneous fat). Drag conditions were changed with and without the PVC tubes, and swim speeds were recorded and compared during descent and ascent phases using an accelerometer attached to the harnesses. Generalized linear mixed-effect models with the animal as the random variable and five explanatory variables (body mass, buoyancy, dive depth, dive phase, and drag) showed that swim speed was best predicted by two variables, drag and dive phase (AIC = −139). Consistent with a previous theoretical prediction, the results of our study suggest that the optimal swim speed of Steller sea lions is a function of drag, and is independent of dive depth and buoyancy. PMID:24771620
Are all judgments created equal? An fMRI study of semantic and episodic metamemory predictions.

PubMed

Reggev, Niv; Zuckerman, Maya; Maril, Anat

2011-04-01

Metamemory refers to the ability of individuals to monitor and control their own memory performance. Although little theoretical consideration of the possible differences between the monitoring of episodic and of semantic knowledge has been published, results from patient and drug studies that used the "feeling of knowing" (FOK) paradigm show a selective impairment in the accuracy of episodic monitoring but not in its semantic counterpart. Similarly, neuroimaging studies provide indirect evidence for separate patterns of activation during episodic or semantic FOKs. However, the semantic-episodic distinction hypothesis has not been directly addressed. In the current event-related fMRI study, we used a within-subject, within-experiment comparison of the monitoring of semantic and episodic content. Whereas the common neural correlates of episodic and semantic FOKs observed in this study generally replicate the previous neuroimaging findings, several regions were found to be differentially associated with each task. Activity of the right inferior frontal gyrus was modulated by the semantic-episodic factor only during the negative predictions of retrieval, suggesting that negative predictions are based on partially distinct mechanisms during each task. A posterior midline network, known to be activated during episodic retrieval, was activated during episodic and not semantic monitoring, suggesting that episodic FOKs rely, to some extent, on common episodic retrieval processes. These findings suggest that theoretical accounts of the etiology and function of FOKs may benefit from incorporating the prediction directionality (positive/negative) and the memory domain (semantic/episodic) distinctions. Copyright © 2011 Elsevier Ltd. All rights reserved.
Theoretical Prediction of Microgravity Ignition Delay of Polymeric Fuels in Low Velocity Flows

NASA Technical Reports Server (NTRS)

Fernandez-Pello, A. C.; Torero, J. L.; Zhou, Y. Y.; Walther, D.; Ross, H. D.

2001-01-01

A new flammability apparatus and protocol, FIST (Forced Flow Ignition and Flame Spread Test), is under development. Based on the LIFT (Lateral Ignition and Flame Spread Test) protocol, FIST better reflects the environments expected in spacebased facilities. The final objective of the FIST research is to provide NASA with a test methodology that complements the existing protocol and provides a more comprehensive assessment of material flammability of practical materials for space applications. Theoretical modeling, an extensive normal gravity data bank and a few validation space experiments will support the testing methodology. The objective of the work presented here is to predict the ignition delay and critical heat flux for ignition of solid fuels in microgravity at airflow velocities below those induced in normal gravity. This is achieved through the application of a numerical model previously developed of piloted ignition of solid polymeric materials exposed to an external radiant heat flux. The model predictions will provide quantitative results about ignition of practical materials in the limiting conditions expected in space facilities. Experimental data of surface temperature histories and ignition delay obtained in the KC-135 aircraft are used to determine the critical pyrolysate mass flux for ignition and this value is subsequently used to predict the ignition delay and the critical heat flux for ignition of the material. Surface temperature and piloted ignition delay calculations for Polymethylmethacrylate (PMMA) and a Polypropylene/Fiberglass (PP/GL) composite were conducted under both reduced and normal gravity conditions. It was found that ignition delay times are significantly shorter at velocities below those induced by natural convection.
Effective tolerance based on resource reallocation is a virus-specific defence in Arabidopsis thaliana.

PubMed

Shukla, Aayushi; Pagán, Israel; García-Arenal, Fernando

2018-06-01

Plant viruses often harm their hosts, which have developed mechanisms to prevent or minimize the effects of virus infection. Resistance and tolerance are the two main plant defences to pathogens. Although resistance to plant viruses has been studied extensively, tolerance has received much less attention. Theory predicts that tolerance to low-virulent parasites would be achieved through resource reallocation from growth to reproduction, whereas tolerance to high-virulent parasites would be attained through shortening of the pre-reproductive period. We have shown previously that the tolerance of Arabidopsis thaliana to Cucumber mosaic virus (CMV), a relatively low-virulent virus in this host, accords to these predictions. However, whether other viruses trigger the same response, and how A. thaliana copes with highly virulent virus infections remains unexplored. To address these questions, we challenged six A. thaliana wild genotypes with five viruses with different genomic structures, life histories and transmission modes. In these plants, we quantified virus multiplication, virulence, and the effects of infection on plant growth and reproduction, and on the developmental schedule. Our results indicate that virus multiplication varies according to the virus × host genotype interaction. Conversely, effective tolerance is observed only on CMV infection, and is associated with resource reallocation from growth to reproduction. Tolerance to the other viruses is observed only in specific host-virus combinations and, at odds with theoretical predictions, is linked to longer pre-reproductive periods. These findings only partially agree with theoretical predictions, and contribute to a better understanding of pathogenic processes in plant-virus interactions. © 2017 BSPP AND JOHN WILEY & SONS LTD.
New High Pressure Phase of CaCO3: Implication for the Deep Diamond Formation

NASA Astrophysics Data System (ADS)

Mao, Z.; Li, X.; Zhang, Z.; Lin, J. F.; Ni, H.; Prakapenka, V.

2017-12-01

Surface carbon can be transported to the Earth's deep interior through sinking subduction slabs. Carbonates, including CaCO3, MgCO3 and MgCa(CO3)2, are important carbon carriers for the deep carbon cycle. Experimental studies on the phase stability of carbonates with coexisting mantle minerals at relevant pressure and temperature conditions are thus important for understanding the deep carbon cycle. In particular, recent petrological studies have revealed the evidence for the transportation of CaCO3 to the depth at least of the top lower mantle by analyzing the diamond inclusions. Yet the phase stability of CaCO3 at relevant pressure and temperature conditions of the top lower mantle is still unclear. Previous single-crystal study has shown that CaCO3 transforms from the CaCO3-III structure to CaCO3-VI at 15 GPa and 300 K. The CaCO3-VI is stable at least up to 40 GPa at 300 K. At high temperatures, CaCO3 in the aragonite structure will directly transform into the post-aragonite structure at 40 GPa. However, a recent theoretical study predicted a new phase of CaCO3 with a space group of P21/c between 32 and 48 GPa which is different from previous experimental results. In this study, we have investigated the phase stability of CaCO3 at high pressure-temperature conditions using synchrotron X-ray diffraction in laser-heated diamond anvil cells. We report the discovery of a new phase of CaCO3 at relevant pressure-temperature conditions of the top lower mantle which is consistent with previous theoretical predictions. This new phase is an important carrier for the transportation of carbon to the Earth's lower mantle and crucial for growing deep diamonds in the region.
Impact of a parent-child sexual communication campaign: results from a controlled efficacy trial of parents.

PubMed

Davis, Kevin C; Blitstein, Jonathan L; Evans, W Douglas; Kamyab, Kian

2010-07-21

Prior research supports the notion that parents have the ability to influence their children's decisions regarding sexual behavior. Yet parent-based approaches to curbing teen pregnancy and STDs have been relatively unexplored. The Parents Speak Up National Campaign (PSUNC) is a multimedia campaign that attempts to fill this void by targeting parents of teens to encourage parent-child communication about waiting to have sex. The campaign follows a theoretical framework that identifies cognitions that are targeted in campaign messages and theorized to influence parent-child communication. While a previous experimental study showed PSUNC messages to be effective in increasing parent-child communication, it did not address how these effects manifest through the PSUNC theoretical framework. The current study examines the PSUNC theoretical framework by 1) estimating the impact of PSUNC on specific cognitions identified in the theoretical framework and 2) examining whether those cognitions are indeed associated with parent-child communication Our study consists of a randomized efficacy trial of PSUNC messages under controlled conditions. A sample of 1,969 parents was randomly assigned to treatment (PSUNC exposure) and control (no exposure) conditions. Parents were surveyed at baseline, 4 weeks, 6 months, 12 months, and 18 months post-baseline. Linear regression procedures were used in our analyses. Outcome variables included self-efficacy to communicate with child, long-term outcome expectations that communication would be successful, and norms on appropriate age for sexual initiation. We first estimated multivariable models to test whether these cognitive variables predict parent-child communication longitudinally. Longitudinal change in each cognitive variable was then estimated as a function of treatment condition, controlling for baseline individual characteristics. Norms related to appropriate age for sexual initiation and outcome expectations that communication would be successful were predictive of parent-child communication among both mothers and fathers. Treatment condition mothers exhibited larger changes than control mothers in both of these cognitive variables. Fathers exhibited no exposure effects. Results suggest that within a controlled setting, the "wait until older norm" and long-term outcome expectations were appropriate cognitions to target and the PSUNC media materials were successful in impacting them, particularly among mothers. This study highlights the importance of theoretical frameworks for parent-focused campaigns that identify appropriate behavioral precursors that are both predictive of a campaign's distal behavioral outcome and sensitive to campaign messages.
The pressure and entropy of a unitary Fermi gas with particle-hole fluctuation

NASA Astrophysics Data System (ADS)

Gong, Hao; Ruan, Xiao-Xia; Zong, Hong-Shi

2018-01-01

We calculate the pressure and entropy of a unitary Fermi gas based on universal relations combined with our previous prediction of energy which was calculated within the framework of the non-self-consistent T-matrix approximation with particle-hole fluctuation. The resulting entropy and pressure are compared with the experimental data and the theoretical results without induced interaction. For entropy, we find good agreement between our results with particle-hole fluctuation and the experimental measurements reported by ENS group and MIT experiment. For pressure, our results suffer from a systematic upshift compared to MIT data.
Acoustic performance of a Herschel Quincke tube modified with an interconnecting pipe

NASA Astrophysics Data System (ADS)

Desantes, J. M.; Torregrosa, A. J.; Climent, H.; Moya, D.

2005-06-01

The classical two-duct Herschel-Quincke tube is modified by means of an additional pipe connecting both paths. A transfer matrix is obtained for a mesh system with five arbitrary branches and then particularized to the proposed scheme. Experimental attenuation measurements were performed on several prototypes, and the results compared favourably with predictions from the previous theoretical development. Finally, transmission loss contour plots were used to study the influence of the connecting pipe on the resonance frequencies. The results confirm the nontrivial character of the influence observed, and simple relationships are obtained for the general trends.
Measurement of the Elastic Modulus of a Single Boron Nitride Nanotube

NASA Astrophysics Data System (ADS)

Chopra, Nasreen G.; Cohen, Marvin L.; Louie, Steven G.; Zettl, A.

1997-03-01

In situ transmission electron microscope (TEM) measurements of thermally-excited vibrational characteristics of boron nitride (BN) nanotubes are used to extract the elastic modulus. We find BN nanotubes to have a higher axial Young's modulus, 1.2 TPa, than any other insulating fiber. This value is consistent with theoretical predictions and confirms previous TEM observations of the high degree of crystallinity of these structures. This work was supported by the U. S. Department of Energy under contract No. DE-AC03-76-SF00098 and the Office of Naval Research, Order No. N00014-95-F-0099
Analytical research on impacting load of aircraft crashing upon moveable concrete target

NASA Astrophysics Data System (ADS)

Zhu, Tong; Ou, Zhuocheng; Duan, Zhuoping; Huang, Fenglei

2018-03-01

The impact load of an aircraft impact upon moveable concrete target was analyzed in this paper by both theoretical and numerical methods. The aircraft was simplified as a one dimensional pole and stress-wave theory was used to deduce the new formula. Furthermore, aiming to compare with previous experimental data, a numerical calculation based on the new formula had been carried out which showed good agreement with the experimental data. The approach, a new formula with particular numerical method, can predict not only the impact load but also the deviation between moveable and static concrete target.
NuSTAR observations of M31: globular cluster candidates found to be Z sources

NASA Astrophysics Data System (ADS)

Maccarone, Thomas J.; Yukita, Mihoko; Hornschemeier, Ann E.; Lehmer, Bret; Antoniou, Vallia; Ptak, Andrew; Wik, Daniel R.; Zezas, Andreas; Boyd, Patricia T.; Kennea, Jamie A.; Page, Kim; Eracleous, Michael; Williams, Benjamin F.; NuSTAR mission Team

2016-01-01

We present the results of Swift + NuSTAR observations of 4 bright globular cluster sources in M31. Three of these had previously been suggested to be black holes on the basis of their spectra. We show that all are well fit by models indicative of Z source natures for the sources. We also discuss some reasons why the long term light curves of these objects indicate that they are more likely to be neutron stars, and discuss the discrepancy between the empirical understanding of persistent sources and theoretical predictions.
Vacancy Defects as Compensating Centers in Mg-Doped GaN

NASA Astrophysics Data System (ADS)

Hautakangas, S.; Oila, J.; Alatalo, M.; Saarinen, K.; Liszkay, L.; Seghier, D.; Gislason, H. P.

2003-04-01

We apply positron annihilation spectroscopy to identify VN-MgGa complexes as native defects in Mg-doped GaN. These defects dissociate in postgrowth annealings at 500 800 °C. We conclude that VN-MgGa complexes contribute to the electrical compensation of Mg as well as the activation of p-type conductivity in the annealing. The observation of VN-MgGa complexes confirms that vacancy defects in either the N or Ga sublattice are abundant in GaN at any position of the Fermi level during growth, as predicted previously by theoretical calculations.
Cosmic rays, solar activity, magnetic coupling, and lightning incidence

NASA Technical Reports Server (NTRS)

Ely, J. T. A.

1984-01-01

A theoretical model is presented and described that unifies the complex influence of several factors on spatial and temporal variation of lightning incidence. These factors include the cosmic radiation, solar activity, and coupling between geomagnetic and interplanetary (solar wind) magnetic fields. Atmospheric electrical conductivity in the 10 km region was shown to be the crucial parameter altered by these factors. The theory reconciles several large scale studies of lightning incidence previously misinterpreted or considered contradictory. The model predicts additional strong effects on variations in lightning incidence, but only small effects on the morphology and rate of thunderstorm development.
Ultrahigh vertical resolution radar measurements in the lower stratosphere at Arecibo

NASA Technical Reports Server (NTRS)

Ierkic, H. M.; Perillat, P.; Woodman, R. F.

1990-01-01

The paper reports on heretofore unprecedented observations of the turbulent layers in the lower stratosphere using the Arecibo 2380-MHz radar. Spectral profiles with about 20 m height and 15 s time resolutions at altitudes in the range 16-19 km are used to parametrize relevant characteristics of the turbulence, namely, vertical widths, distributions, lifetimes, and cutoffs height. These measurements validate previous deconvolved estimates and are free from contaminating factors like shear or beam broadening and partial reflections. Some theoretical predictions are verified, in particular those relating to the height of cutoff and the outer scale of the turbulence.
Internal performance predictions for Langley scramjet engine module

NASA Technical Reports Server (NTRS)

Pinckney, S. Z.

1978-01-01

A one dimensional theoretical method for the prediction of the internal performance of a scramjet engine is presented. The effects of changes in vehicle forebody flow parameters and characteristics on predicted thrust for the scramjet engine were evaluated using this method, and results are presented. A theoretical evaluation of the effects of changes in the scramjet engine's internal parameters is also presented. Theoretical internal performance predictions, in terms thrust coefficient and specific impulse, are provided for the scramjet engine for free stream Mach numbers of 5, 6, and 7 free stream dynamic pressure of 23,940 N/sq m forebody surface angles of 4.6 deg to 14.6 deg, and fuel equivalence ratio of 1.0.
Quantum oscillations in the anomalous spin density wave state of FeAs

DOE PAGES

Campbell, Daniel J.; Eckberg, Chris; Wang, Kefeng; ...

2017-08-10

Quantum oscillations in the binary antiferromagnetic metal FeAs are presented and compared to theoretical predictions for the electronic band structure in the anomalous spin density wave state of this material. Demonstrating a method for growing single crystals out of Bi flux, we utilize the highest quality FeAs to perform torque magnetometry experiments up to 35 T, using rotations of field angle in two planes to provide evidence for one electron and one hole band in the magnetically ordered state. Finally, the resulting picture agrees with previous experimental evidence for multiple carriers at low temperatures, but the exact Fermi surface shapemore » differs from predictions, suggesting that correlations play a role in deviation from ab initio theory and cause up to a fourfold enhancement in the effective carrier mass.« less
An enhanced hydrogen adsorption enthalpy for fluoride intercalated graphite compounds.

PubMed

Cheng, Hansong; Sha, Xianwei; Chen, Liang; Cooper, Alan C; Foo, Maw-Lin; Lau, Garret C; Bailey, Wade H; Pez, Guido P

2009-12-16

We present a combined theoretical and experimental study on H(2) physisorption in partially fluorinated graphite. This material, first predicted computationally using ab initio molecular dynamics simulation and subsequently synthesized and characterized experimentally, represents a novel class of "acceptor type" graphite intercalated compounds that exhibit significantly higher isosteric heat of adsorption for H(2) at near ambient temperatures than previously demonstrated for commonly available porous carbon-based materials. The unusually strong interaction arises from the semi-ionic nature of the C-F bonds. Although a high H(2) storage capacity (>4 wt %) at room temperature is predicted not to be feasible due to the low heat of adsorption, enhanced storage properties can be envisaged by doping the graphitic host with appropriate species to promote higher levels of charge transfer from graphene to F(-) anions.
Supersonic Dislocation Bursts in Silicon

DOE PAGES

Hahn, E. N.; Zhao, S.; Bringa, E. M.; ...

2016-06-06

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

Supersonic Dislocation Bursts in Silicon

PubMed Central

Hahn, E. N.; Zhao, S.; Bringa, E. M.; Meyers, M. A.

2016-01-01

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolution we successfully predict a dislocation density of 1.5 × 1012 cm−2 within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon. PMID:27264746
The tensile strength of ice and dust aggregates and its dependence on particle properties

NASA Astrophysics Data System (ADS)

Gundlach, B.; Schmidt, K. P.; Kreuzig, C.; Bischoff, D.; Rezaei, F.; Kothe, S.; Blum, J.; Grzesik, B.; Stoll, E.

2018-06-01

The knowledge of the tensile strength of astrophysical dust and ice aggregates is of major importance to understand the early stages of planet formation in our solar system and cometary activity. In this letter we report on an experimental setup, developed to measure the tensile strength of granular, astrophysical relevant materials, such as water ice and silica aggregates. We found that the tensile strength of aggregates composed of monodisperse silica particles depends on the grain size of the used material and is in a good agreement with the predictions of earlier works. For aggregates consisting of polydisperse water-ice particles, the measured tensile strength is very low compared to the theoretical prediction, which indicates that the specific surface energy of water ice at low temperatures is lower than previously assumed.
Ammonia-hydrogen bromide and ammonia-hydrogen iodide complexes: anion photoelectron and ab initio studies.

PubMed

Eustis, S N; Whiteside, A; Wang, D; Gutowski, M; Bowen, K H

2010-01-28

The ammonia-hydrogen bromide and ammonia-hydrogen iodide, anionic heterodimers were studied by anion photoelectron spectroscopy. In complementary studies, these anions and their neutral counterparts were also investigated via ab initio theory at the coupled cluster level. In both systems, neutral NH(3)...HX dimers were predicted to be linear, hydrogen-bonded complexes, whereas their anionic dimers were found to be proton-transferred species of the form, (NH(4)(+)X(-))(-). Both experimentally measured and theoretically predicted vertical detachment energies (VDE) are in excellent agreement for both systems, with values for (NH(4)(+)Br(-))(-) being 0.65 and 0.67 eV, respectively, and values for (NH(4)(+)I(-))(-) being 0.77 and 0.81 eV, respectively. These systems are discussed in terms of our previous study of (NH(4)(+)Cl(-))(-).
Supersonic Dislocation Bursts in Silicon

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

Hahn, E. N.; Zhao, S.; Bringa, E. M.

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less
High resolution spectroscopy of the 12Lambda B hypernucleus produced by the (e,e'K+) reaction.

PubMed

Miyoshi, T; Sarsour, M; Yuan, L; Zhu, X; Ahmidouch, A; Ambrozewicz, P; Androic, D; Angelescu, T; Asaturyan, R; Avery, S; Baker, O K; Bertovic, I; Breuer, H; Carlini, R; Cha, J; Chrien, R; Christy, M; Cole, L; Danagoulian, S; Dehnhard, D; Elaasar, M; Empl, A; Ent, R; Fenker, H; Fujii, Y; Furic, M; Gan, L; Garrow, K; Gasparian, A; Gueye, P; Harvey, M; Hashimoto, O; Hinton, W; Hu, B; Hungerford, E; Jackson, C; Johnston, K; Juengst, H; Keppel, C; Lan, K; Liang, Y; Likhachev, V P; Liu, J H; Mack, D; Margaryan, A; Markowitz, P; Martoff, J; Mkrtchyan, H; Nakamura, S N; Petkovic, T; Reinhold, J; Roche, J; Sato, Y; Sawafta, R; Simicevic, N; Smith, G; Stepanyan, S; Tadevosyan, V; Takahashi, T; Tanida, K; Tang, L; Ukai, M; Uzzle, A; Vulcan, W; Wells, S; Wood, S; Xu, G; Yamaguchi, H; Yan, C

2003-06-13

High-energy, cw electron beams at new accelerator facilities allow electromagnetic production and precision study of hypernuclear structure, and we report here on the first experiment demonstrating the potential of the (e,e'K+) reaction for hypernuclear spectroscopy. This experiment is also the first to take advantage of the enhanced virtual photon flux available when electrons are scattered at approximately zero degrees. The observed energy resolution was found to be approximately 900 keV for the (12)(Lambda)B spectrum, and is substantially better than any previous hypernuclear experiment using magnetic spectrometers. The positions of the major excitations are found to be in agreement with a theoretical prediction and with a previous binding energy measurement, but additional structure is also observed in the core excited region, underlining the future promise of this technique.
The brightness temperature of Venus and the absolute flux-density scale at 608 MHz.

NASA Technical Reports Server (NTRS)

Muhleman, D. O.; Berge, G. L.; Orton, G. S.

1973-01-01

The disk temperature of Venus was measured at 608 MHz near the inferior conjunction of 1972, and a value of 498 plus or minus 33 K was obtained using a nominal CKL flux-density scale. The result is consistent with earlier measurements, but has a much smaller uncertainty. Our theoretical model prediction is larger by a factor of 1.21 plus or minus 0.09. This discrepancy has been noticed previously for frequencies below 1400 MHz, but was generally disregarded because of the large observational uncertainties. No way could be found to change the model to produce agreement without causing a conflict with well-established properties of Venus. Thus it is suggested that the flux-density scale may require an upward revision, at least near this frequency, in excess of what has previously been considered likely.
Modeling of kinetic, ionospheric and auroral contributions to the 557.7-nm nightglow

NASA Astrophysics Data System (ADS)

Campbell, L.; Brunger, M. J.

2010-11-01

Emission of 557.7-nm radiation from the Earth's upper atmosphere is produced by kinetic, ionospheric and auroral excitation of oxygen atoms. The mechanisms and hence the relative contributions of these three sources are not fully understood. A ground-based mid-latitude recording of the 557.7-nm emissions over the previous solar cycle facilitates a comparison of measurements with theoretical predictions. In this paper the predicted kinetic and ionospheric contributions are simulated and compared with the observations. Semi-quantitative agreement is found between the kinetic contribution and the observations, particularly in the presence of annual, semi-annual and solar cycle variations. An observed enhancement in the emissions in the years following solar maximum is not predicted by the kinetic model. However, correlation analysis reveals a component in the observed values that is related to the auroral hemispheric power. When this extra component is included, a better fit to the pre-midnight observations over the full solar cycle is found.
Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method.

PubMed

Lee, Hung-Wen; Chang, Chun-Ming; Hsing, Cheng-Rong

2017-02-28

The puzzle of the magnetic moments of small nickel clusters arises from the discrepancy between values predicted using density functional theory (DFT) and experimental measurements. Traditional DFT approaches underestimate the magnetic moments of nickel clusters. Two fundamental problems are associated with this puzzle, namely, calculating the exchange-correlation interaction accurately and determining the global minimum structures of the clusters. Theoretically, the two problems can be solved using quantum Monte Carlo (QMC) calculations and the ab initio random structure searching (AIRSS) method correspondingly. Therefore, we combined the fixed-moment AIRSS and QMC methods to investigate the magnetic properties of Ni n (n = 5-9) clusters. The spin moments of the diffusion Monte Carlo (DMC) ground states are higher than those of the Perdew-Burke-Ernzerhof ground states and, in the case of Ni 8-9 , two new ground-state structures have been discovered using the DMC calculations. The predicted results are closer to the experimental findings, unlike the results predicted in previous standard DFT studies.
Predicting Trigger Bonds in Explosive Materials through Wiberg Bond Index Analysis.

PubMed

Harper, Lenora K; Shoaf, Ashley L; Bayse, Craig A

2015-12-21

Understanding the explosive decomposition pathways of high-energy-density materials (HEDMs) is important for developing compounds with improved properties. Rapid reaction rates make the detonation mechanisms of HEDMs difficult to understand, so computational tools are used to predict trigger bonds-weak bonds that break, leading to detonation. Wiberg bond indices (WBIs) have been used to compare bond densities in HEDMs to reference molecules to provide a relative scale for the bond strength to predict the activated bonds most likely to break to trigger an explosion. This analysis confirms that X-NO2 (X=N,C,O) bonds are trigger linkages in common HEDMs such as TNT, RDX and PETN, consistent with previous experimental and theoretical studies. Calculations on a small test set of substituted tetrazoles show that the assignment of the trigger bond depends upon the functionality of the material and that the relative weakening of the bond correlates with experimental impact sensitivities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Meta-analytic estimates predict the effectiveness of emotion regulation strategies in the "real world": reply to Augustine and Hemenover (2013).

PubMed

Miles, Eleanor; Sheeran, Paschal; Webb, Thomas L

2013-05-01

Augustine and Hemenover (2013) were right to state that meta-analyses should be accurate and generalizable. However, we disagree that our meta-analysis of emotion regulation strategies (Webb, Miles, & Sheeran, 2012) fell short in these respects. Augustine and Hemenover's concerns appear to have accrued from misunderstandings of our inclusion criteria or from disagreements with methodological decisions that are crucial to the validity of meta-analysis. This response clarifies the bases of these decisions and discusses implications for the accuracy and validity of meta-analyses. Furthermore, we show that our findings are consistent with theoretical predictions and previous reviews, and we present new evidence that the effect sizes that we obtained are generalizable. In particular, we demonstrate that our estimates of the effectiveness of emotion regulation strategies reveal how well these strategies predict important emotional outcomes over 1 year. PsycINFO Database Record (c) 2013 APA, all rights reserved.
Mueller tensor approach for nonlinear optics in turbid media

NASA Astrophysics Data System (ADS)

Ulcickas, James R. W.; Deng, Fengyuan; Ding, Changqin; Simpson, Garth J.

2018-02-01

As plane-polarized light propagates through a turbid medium, scattering alters the phase and polarization differently in different locations. The corresponding depolarization of the beam complicates recovery of the rich information content contained within the polarization-dependence of second harmonic generation (SHG) microscopy. A theoretical framework connecting Jones and Stokes formalisms for describing optical polarization allows prediction of the polarization-dependent SHG produced from "ballistic", but depolarized incident light. Measurements with collagen-rich tissue sections support the predictions of the framework. Partially polarized SHG produced from a depolarized source enabled recovery of local orientation distribution for collagen and local tensor information. Bridging the gap between SHG instigated by fully depolarized light and partially polarized light more common to practical turbid systems, a method for predicting local nonlinear optical susceptibility tensor elements was developed and applied to collagen in thick sections. Recovered values for the tensor element ratio ρ are in good agreement with previous results for thin tissue and literature reports.
The Aeroacoustics of Turbulent Flows

NASA Technical Reports Server (NTRS)

Goldstein, M. E.

2008-01-01

Aerodynamic noise prediction has been an important and challenging research area since James Lighthill first introduced his Acoustic Analogy Approach over fifty years ago. This talk attempts to provide a unified framework for the subsequent theoretical developments in this field. It assumes that there is no single approach that is optimal in all situations and uses the framework as a basis for discussing the strengths weaknesses of the various approaches to this topic. But the emphasis here will be on the important problem of predicting the noise from high speed air jets. Specific results will presented for round jets in the 0.5 to 1.4 Mach number range and compared with experimental data taken on the Glenn SHAR rig. It is demonstrated that nonparallel mean flow effects play an important role in predicting the noise at the supersonic Mach numbers. The results explain the failure of previous attempts based on the parallel flow Lilley model (which has served as the foundation for most jet noise analyses during past two decades).
The role of effort in influencing the effect of anxiety on performance: testing the conflicting predictions of processing efficiency theory and the conscious processing hypothesis.

PubMed

Wilson, Mark; Smith, Nickolas C; Holmes, Paul S

2007-08-01

The aim of this study was to test the conflicting predictions of processing efficiency theory (PET) and the conscious processing hypothesis (CPH) regarding effort's role in influencing the effects of anxiety on a golf putting task. Mid-handicap golfers made a series of putts to target holes under two counterbalanced conditions designed to manipulate the level of anxiety experienced. The effort exerted on each putting task was assessed though self-report, psychophysiological (heart rate variability) and behavioural (pre-putt time and glances at the target) measures. Performance was assessed by putting error. Results were generally more supportive of the predictions of PET rather than the CPH as performance was maintained for some performers despite increased state anxiety and a reduction in processing efficiency. The findings of this study support previous research suggesting that both theories offer useful theoretical frameworks for examining the relationship between anxiety and performance in sport.
Improvement and Application of the Softened Strut-and-Tie Model

NASA Astrophysics Data System (ADS)

Fan, Guoxi; Wang, Debin; Diao, Yuhong; Shang, Huaishuai; Tang, Xiaocheng; Sun, Hai

2017-11-01

Previous experimental researches indicate that reinforced concrete beam-column joints play an important role in the mechanical properties of moment resisting frame structures, so as to require proper design. The aims of this paper are to predict the joint carrying capacity and cracks development theoretically. Thus, a rational model needs to be developed. Based on the former considerations, the softened strut-and-tie model is selected to be introduced and analyzed. Four adjustments including modifications of the depth of the diagonal strut, the inclination angle of diagonal compression strut, the smeared stress of mild steel bars embedded in concrete, as well as the softening coefficient are made. After that, the carrying capacity of beam-column joint and cracks development are predicted using the improved softened strut-and-tie model. Based on the test results, it is not difficult to find that the improved softened strut-and-tie model can be used to predict the joint carrying capacity and cracks development with sufficient accuracy.
Identification of Two New Electronic States of NiCl Using Intracavity Laser Spectroscopy and the Correlation Between Theoretical Predictions and Experimental Observations

NASA Astrophysics Data System (ADS)

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

2016-06-01

The near-infrared spectrum of NiCl has been recorded in high resolution in the 13,200-13,500 wn and 13,600-13,750 wn regions using Intracavity Laser Spectroscopy (ILS). The NiCl Molecules were produced in the plasma discharge of a Ni-lined copper hollow cathode with 0.3-0.6 torr of argon as the sputter gas, and a trace amount of CCl_4. The hollow cathode was located within the laser cavity of a Verdi V-10 pumped Ti:sapphire system. A generation of 90 μsec resulted in an effective pathlength of approximately 700 m for the absorption measurements. Several transitions were observed, including 3 transitions involving 2 previously unreported electronic states. The (0,0) and (1,0) bands of the [13.5] 2Φ7/2-[0.16] A 2Δ5/2 transition were observed near 13,709 wn and 13,318 wn, respectively. The (0,0) band of the [13.8] 2Π1/2 - [0.38] X 2Π1/2 transition was observed near 13,480 wn. With the analysis of these transitions, molecular constants have been obtained for 9 of the 12 doublet states of NiCl predicted by Zou and Lou in 2006. Analysis of these transitions and a comparison between the experimentally observed transitions and the theoretically predicted states of NiCl will be presented.
Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules

PubMed Central

2014-01-01

We present four models of solution free-energy prediction for druglike molecules utilizing cheminformatics descriptors and theoretically calculated thermodynamic values. We make predictions of solution free energy using physics-based theory alone and using machine learning/quantitative structure–property relationship (QSPR) models. We also develop machine learning models where the theoretical energies and cheminformatics descriptors are used as combined input. These models are used to predict solvation free energy. While direct theoretical calculation does not give accurate results in this approach, machine learning is able to give predictions with a root mean squared error (RMSE) of ∼1.1 log S units in a 10-fold cross-validation for our Drug-Like-Solubility-100 (DLS-100) dataset of 100 druglike molecules. We find that a model built using energy terms from our theoretical methodology as descriptors is marginally less predictive than one built on Chemistry Development Kit (CDK) descriptors. Combining both sets of descriptors allows a further but very modest improvement in the predictions. However, in some cases, this is a statistically significant enhancement. These results suggest that there is little complementarity between the chemical information provided by these two sets of descriptors, despite their different sources and methods of calculation. Our machine learning models are also able to predict the well-known Solubility Challenge dataset with an RMSE value of 0.9–1.0 log S units. PMID:24564264
Conformational dynamics of minimal elastin-like polypeptides: the role of proline revealed by molecular dynamics and nuclear magnetic resonance.

PubMed

Glaves, Rachel; Baer, Marcel; Schreiner, Eduard; Stoll, Raphael; Marx, Dominik

2008-12-22

Previous molecular dynamics studies of the elastin-like peptide (ELP) GVG(VPGVG) predict that this ELP undergoes a conformational transition from an open to a more compact closed state upon an increase in temperature. These structural changes occurring in this minimal elastin model at the so-called inverse temperature transition (ITT), which takes place when elastin is heated to temperatures of about 20-40 (omicron)C, are investigated further in this work by means of a combined theoretical and experimental approach. To do this, additional extensive classical molecular dynamics (MD) simulations of the capped octapeptide are carried out, analyzed, and compared to data obtained from homonuclear magnetic resonance (NMR) spectroscopy of the same octapeptide. Moreover, in the previous simulations, the proline residue in the ELP is found to act as a hinge, thereby allowing for the large-amplitude opening and closing conformational motion of the ITT. To explore the role of proline in such elastin repeating units, a point mutant (P5I), which replaces the proline residue with an isoleucine residue, is also investigated using the aforementioned theoretical and experimental techniques. The results show that the site-directed mutation completely alters the properties of this ELP, thus confirming the importance of the highly conserved proline residue in the ITT. Furthermore, a correlation between the two different methods employed is seen. Both methods predict the mutant ELP to be present in an unstructured form and the wild type ELP to have a beta-turn-like structure. Finally, the role of the peptidyl cis to trans isomerization of the proline hinge is assessed in detail.
Can theory predict the process of suicide on entry to prison? Predicting dynamic risk factors for suicide ideation in a high-risk prison population.

PubMed

Slade, Karen; Edelman, Robert

2014-01-01

Each year approximately 110,000 people are imprisoned in England and Wales and new prisoners remain one of the highest risk groups for suicide across the world. The reduction of suicide in prisoners remains difficult as assessments and interventions tend to rely on static risk factors with few theoretical or integrated models yet evaluated. To identify the dynamic factors that contribute to suicide ideation in this population based on Williams and Pollock's (2001) Cry of Pain (CoP) model. New arrivals (N = 198) into prison were asked to complete measures derived from the CoP model plus clinical and prison-specific factors. It was hypothesized that the factors of the CoP model would be predictive of suicide ideation. Support was provided for the defeat and entrapment aspects of the CoP model with previous self-harm, repeated times in prison, and suicide-permissive cognitions also key in predicting suicide ideation for prisoners on entry to prison. An integrated and dynamic model was developed that has utility in predicting suicide in early-stage prisoners. Implications for both theory and practice are discussed along with recommendations for future research.
Local lung deposition of ultrafine particles in healthy adults: experimental results and theoretical predictions.

PubMed

Sturm, Robert

2016-11-01

Ultrafine particles (UFP) of biogenic and anthropogenic origin occur in high numbers in the ambient atmosphere. In addition, aerosols containing ultrafine powders are used for the inhalation therapy of various diseases. All these facts make it necessary to obtain comprehensive knowledge regarding the exact behavior of UFP in the respiratory tract. Theoretical simulations of local UFP deposition are based on previously conducted inhalation experiments, where particles with various sizes (0.04, 0.06, 0.08, and 0.10 µm) were administered to the respiratory tract by application of the aerosol bolus technique. By the sequential change of the lung penetration depth of the inspired bolus, different volumetric lung regions could be generated and particle deposition in these regions could be evaluated. The model presented in this contribution adopted all parameters used in the experiments. Besides the obligatory comparison between practical and theoretical data, also advanced modeling predictions including the effect of varying functional residual capacity (FRC) and respiratory flow rate were conducted. Validation of the UFP deposition model shows that highest deposition fractions occur in those volumetric lung regions corresponding to the small and partly alveolated airways of the tracheobronchial tree. Particle deposition proximal to the trachea is increased in female probands with respect to male subjects. Decrease of both the FRC and the respiratory flow rate results in an enhancement of UFP deposition. The study comes to the conclusion that deposition of UFP taken up via bolus inhalation is influenced by a multitude of factors, among which lung morphometry and breathing conditions play a superior role.
Local lung deposition of ultrafine particles in healthy adults: experimental results and theoretical predictions

PubMed Central

2016-01-01

Background Ultrafine particles (UFP) of biogenic and anthropogenic origin occur in high numbers in the ambient atmosphere. In addition, aerosols containing ultrafine powders are used for the inhalation therapy of various diseases. All these facts make it necessary to obtain comprehensive knowledge regarding the exact behavior of UFP in the respiratory tract. Methods Theoretical simulations of local UFP deposition are based on previously conducted inhalation experiments, where particles with various sizes (0.04, 0.06, 0.08, and 0.10 µm) were administered to the respiratory tract by application of the aerosol bolus technique. By the sequential change of the lung penetration depth of the inspired bolus, different volumetric lung regions could be generated and particle deposition in these regions could be evaluated. The model presented in this contribution adopted all parameters used in the experiments. Besides the obligatory comparison between practical and theoretical data, also advanced modeling predictions including the effect of varying functional residual capacity (FRC) and respiratory flow rate were conducted. Results Validation of the UFP deposition model shows that highest deposition fractions occur in those volumetric lung regions corresponding to the small and partly alveolated airways of the tracheobronchial tree. Particle deposition proximal to the trachea is increased in female probands with respect to male subjects. Decrease of both the FRC and the respiratory flow rate results in an enhancement of UFP deposition. Conclusions The study comes to the conclusion that deposition of UFP taken up via bolus inhalation is influenced by a multitude of factors, among which lung morphometry and breathing conditions play a superior role. PMID:27942511

Theoretical study of the flow in a fluid damper containing high viscosity silicone oil: Effects of shear-thinning and viscoelasticity

NASA Astrophysics Data System (ADS)

Syrakos, Alexandros; Dimakopoulos, Yannis; Tsamopoulos, John

2018-03-01

The flow inside a fluid damper where a piston reciprocates sinusoidally inside an outer casing containing high-viscosity silicone oil is simulated using a finite volume method, at various excitation frequencies. The oil is modeled by the Carreau-Yasuda (CY) and Phan-Thien and Tanner (PTT) constitutive equations. Both models account for shear-thinning, but only the PTT model accounts for elasticity. The CY and other generalised Newtonian models have been previously used in theoretical studies of fluid dampers, but the present study is the first to perform full two-dimensional (axisymmetric) simulations employing a viscoelastic constitutive equation. It is found that the CY and PTT predictions are similar when the excitation frequency is low, but at medium and higher frequencies, the CY model fails to describe important phenomena that are predicted by the PTT model and observed in experimental studies found in the literature, such as the hysteresis of the force-displacement and force-velocity loops. Elastic effects are quantified by applying a decomposition of the damper force into elastic and viscous components, inspired from large amplitude oscillatory shear theory. The CY model also overestimates the damper force relative to the PTT model because it underpredicts the flow development length inside the piston-cylinder gap. It is thus concluded that (a) fluid elasticity must be accounted for and (b) theoretical approaches that rely on the assumption of one-dimensional flow in the piston-cylinder gap are of limited accuracy, even if they account for fluid viscoelasticity. The consequences of using lower-viscosity silicone oil are also briefly examined.
How Kinesthetic Motor Imagery works: a predictive-processing theory of visualization in sports and motor expertise.

PubMed

Ridderinkhof, K Richard; Brass, Marcel

2015-01-01

Kinesthetic Motor Imagery (KMI) is an important technique to acquire and refine motor skills. KMI is widely used by professional athletes as an effective way to improve motor performance without overt motor output. Despite this obvious relevance, the functional mechanisms and neural circuits involved in KMI in sports are still poorly understood. In the present article, which aims at bridging the sport sciences and cognitive neurophysiology literatures, we give a brief overview of relevant research in the field of KMI. Furthermore, we develop a theoretical account that relates KMI to predictive motor control theories assuming that it is based on internal activation of anticipatory images of action effects. This mechanism allows improving motor performance solely based on internal emulation of action. In accordance with previous literature, we propose that this emulation mechanism is implemented in brain regions that partially overlap with brain areas involved in overt motor performance including the posterior parietal cortex, the cerebellum, the basal ganglia and the premotor cortex. Finally, we outline one way to test the heuristic value of our theoretical framework for KMI; we suggest that experience with motor performance improves the ability to correctly infer the goals of others, in particular in penalty blocking in soccer. Copyright © 2015 Elsevier Ltd. All rights reserved.
Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis

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

Ramos-Alvarado, Bladimir; Kumar, Satish; Peterson, G. P.

2015-07-28

The wettability of graphitic carbon and silicon surfaces was numerically and theoretically investigated. A multi-response method has been developed for the analysis of conventional molecular dynamics (MD) simulations of droplets wettability. The contact angle and indicators of the quality of the computations are tracked as a function of the data sets analyzed over time. This method of analysis allows accurate calculations of the contact angle obtained from the MD simulations. Analytical models were also developed for the calculation of the work of adhesion using the mean-field theory, accounting for the interfacial entropy changes. A calibration method is proposed to providemore » better predictions of the respective contact angles under different solid-liquid interaction potentials. Estimations of the binding energy between a water monomer and graphite match those previously reported. In addition, a breakdown in the relationship between the binding energy and the contact angle was observed. The macroscopic contact angles obtained from the MD simulations were found to match those predicted by the mean-field model for graphite under different wettability conditions, as well as the contact angles of Si(100) and Si(111) surfaces. Finally, an assessment of the effect of the Lennard-Jones cutoff radius was conducted to provide guidelines for future comparisons between numerical simulations and analytical models of wettability.« less
Associated charmonium production in low energy pp annihilation

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

Barnes, T.; Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996; Li, X.

2007-03-01

The QCD mechanisms underlying the exclusive strong decays and hadronic production amplitudes of charmonium remain poorly understood, despite decades of study and an increasingly detailed body of experimental information. One set of hadronic channels of special interest are those that include baryon-antibaryon states. These are being investigated experimentally at BES and CLEO-c in terms of their baryon resonance content, and are also of interest for the future PANDA experiment, in which charmonium and charmonium hybrids will be produced in pp annihilation in association with light mesons. In this paper we develop a simple initial-state light meson emission model of themore » near-threshold associated charmonium production processes pp{yields}{pi}{sup 0}{psi}, and evaluate the differential and total cross sections for these reactions in this model. (Here we consider the states {psi}={eta}{sub c}, J/{psi}, {psi}{sup '}, {chi}{sub 0} and {chi}{sub 1}.) The predicted near-threshold cross section for pp{yields}{pi}{sup 0}J/{psi} is found to be numerically similar to two previous theoretical estimates, and is roughly comparable to the (sparse) existing data for this process. The theoretical charmonium angular distributions predicted by this model are far from isotropic, which may be of interest for PANDA detector design studies.« less
N-of-1 study of weight loss maintenance assessing predictors of physical activity, adherence to weight loss plan and weight change.

PubMed

Kwasnicka, Dominika; Dombrowski, Stephan U; White, Martin; Sniehotta, Falko F

2017-06-01

Behaviour change interventions are effective in supporting individuals to achieve clinically significant weight loss, but weight loss maintenance (WLM) is less often attained. This study examined predictive variables associated with WLM. N-of-1 study with daily ecological momentary assessment combined with objective measurement of weight and physical activity, collected with wireless devices (Fitbit™) for six months. Eight previously obese adults who had lost over 5% of their body weight in the past year took part. Data were analysed using time series methods. Predictor variables were based on five theoretical themes: maintenance motives, self-regulation, personal resources, habits, and environmental influences. Dependent variables were: objectively estimated step count and weight, and self-reported WLM plan adherence. For all participants, daily fluctuations in self-reported adherence to their WLM plan were significantly associated with most of the explanatory variables, including maintenance motivation and satisfaction with outcomes, self-regulation, habit, and stable environment. Personal resources were not a consistent predictor of plan adherence. This is the first study to assess theoretical predictions of WLM within individuals. WLM is a dynamic process including the interplay of motivation, self-regulation, habit, resources, and perceptions of environmental context. Individuals maintaining their weight have unique psychological profiles which could be accounted for in interventions.
Remarkable influence of slack on the vibration of a single-walled carbon nanotube resonator

NASA Astrophysics Data System (ADS)

Ning, Zhiyuan; Fu, Mengqi; Wu, Gongtao; Qiu, Chenguang; Shu, Jiapei; Guo, Yao; Wei, Xianlong; Gao, Song; Chen, Qing

2016-04-01

We for the first time quantitatively investigate experimentally the remarkable influence of slack on the vibration of a single-walled carbon nanotube (SWCNT) resonator with a changeable channel length fabricated in situ inside a scanning electron microscope, compare the experimental results with the theoretical predictions calculated from the measured geometric and mechanical parameters of the same SWCNT, and find the following novel points. We demonstrate experimentally that as the slack s is increased from about zero to 1.8%, the detected vibration transforms from single-mode to multimode vibration, and the gate-tuning ability gradually attenuates for all the vibration modes. The quadratic tuning coefficient α decreases linearly with when the gate voltage Vdcg is small and the nanotube resonator operates in the beam regime. The linear tuning coefficient γ decreases linearly with when Vdcg has an intermediate value and the nanotube resonator operates in the catenary regime. The calculated α and γ fit the experimental values of the even in-plane mode reasonably well. As the slack is increased, the quality factor Q of the resonator linearly goes up, but the increase is far less steep than that predicted by the previous theoretical study. Our results are important to understand and design resonators based on CNT and other nanomaterials.
[Theoretical modeling and experimental research on direct compaction characteristics of multi-component pharmaceutical powders based on the Kawakita equation].

PubMed

Si, Guo-Ning; Chen, Lan; Li, Bao-Guo

2014-04-01

Base on the Kawakita powder compression equation, a general theoretical model for predicting the compression characteristics of multi-components pharmaceutical powders with different mass ratios was developed. The uniaxial flat-face compression tests of powder lactose, starch and microcrystalline cellulose were carried out, separately. Therefore, the Kawakita equation parameters of the powder materials were obtained. The uniaxial flat-face compression tests of the powder mixtures of lactose, starch, microcrystalline cellulose and sodium stearyl fumarate with five mass ratios were conducted, through which, the correlation between mixture density and loading pressure and the Kawakita equation curves were obtained. Finally, the theoretical prediction values were compared with experimental results. The analysis showed that the errors in predicting mixture densities were less than 5.0% and the errors of Kawakita vertical coordinate were within 4.6%, which indicated that the theoretical model could be used to predict the direct compaction characteristics of multi-component pharmaceutical powders.
Theoretical studies on a new furazan compound bis[4-nitramino-furazanyl-3-azoxy]azofurazan (ADNAAF).

PubMed

Zheng, Chunmei; Chu, Yuting; Xu, Liwen; Wang, Fengyun; Lei, Wu; Xia, Mingzhu; Gong, Xuedong

2016-06-01

Bis[4-nitraminofurazanyl-3-azoxy]azofurazan (ADNAAF), synthesized in our previous work [1], contains four furazan units connected to the linkage of the azo-group and azoxy-group. For further research, some theoretical characters were studied by the density functional theoretical (DFT) method. The optimized structures and the energy gaps between the HOMO and LUMO were studied at the B3LYP/6-311++G** level. The isodesmic reaction method was used for estimating the enthalpy of formation. The detonation performances were estimated with Kamlet-Jacobs equations based on the predicted density and enthalpy of formation in the solid state. ADAAF was also calculated by the same method for comparison. It was found that the nitramino group of ADNAAF can elongate the length of adjacent C-N bonds than the amino group of ADAAF. The gas-phase and solid-phase enthalpies of formation of ADNAAF are larger than those of ADAAF. The detonation performances of ADNAAF are better than ADAAF and RDX, and similar to HMX. The trigger bond of ADNAAF is the N-N bonds in the nitramino groups, and the nitramino group is more active than the amino group (-NH2).
Hydrodynamic interactions in freely suspended liquid crystal films

NASA Astrophysics Data System (ADS)

Kuriabova, Tatiana; Powers, Thomas R.; Qi, Zhiyuan; Goldfain, Aaron; Park, Cheol Soo; Glaser, Matthew A.; Maclennan, Joseph E.; Clark, Noel A.

2016-11-01

Hydrodynamic interactions play an important role in biological processes in cellular membranes, a large separation of length scales often allowing such membranes to be treated as continuous, two-dimensional (2D) fluids. We study experimentally and theoretically the hydrodynamic interaction of pairs of inclusions in two-dimensional, fluid smectic liquid crystal films suspended in air. Such smectic membranes are ideal systems for performing controlled experiments as they are mechanically stable, of highly uniform structure, and have well-defined, variable thickness, enabling experimental investigation of the crossover from 2D to 3D hydrodynamics. Our theoretical model generalizes the Levine-MacKintosh theory of point-force response functions and uses a boundary-element approach to calculate the mobility matrix for inclusions of finite extent. We describe in detail the theoretical and computational approach previously outlined in Z. Qi et al., Phys. Rev. Lett. 113, 128304 (2014), 10.1103/PhysRevLett.113.128304 and extend the method to study the mutual mobilities of inclusions with asymmetric shapes. The model predicts well the observed mutual mobilities of pairs of circular inclusions in films and the self-mobility of a circular inclusion in the vicinity of a linear boundary.
Thermo-magneto-elastoplastic coupling model of metal magnetic memory testing method for ferromagnetic materials

NASA Astrophysics Data System (ADS)

Shi, Pengpeng; Zhang, Pengcheng; Jin, Ke; Chen, Zhenmao; Zheng, Xiaojing

2018-04-01

Metal magnetic memory (MMM) testing (also known as micro-magnetic testing) is a new non-destructive electromagnetic testing method that can diagnose ferromagnetic materials at an early stage by measuring the MMM signal directly on the material surface. Previous experiments have shown that many factors affect MMM signals, in particular, the temperature, the elastoplastic state, and the complex environmental magnetic field. However, the fact that there have been only a few studies of either how these factors affect the signals or the physical coupling mechanisms among them seriously limits the industrial applications of MMM testing. In this paper, a nonlinear constitutive relation for a ferromagnetic material considering the influences of temperature and elastoplastic state is established under a weak magnetic field and is used to establish a nonlinear thermo-magneto-elastoplastic coupling model of MMM testing. Comparing with experimental data verifies that the proposed theoretical model can accurately describe the thermo-magneto-elastoplastic coupling influence on MMM signals. The proposed theoretical model can predict the MMM signals in a complex environment and so is expected to provide a theoretical basis for improving the degree of quantification in MMM testing.
Studies of Sound Absorption by and Transmission Through Layers of Elastic Noise Control Foams: Finite Element Modeling and Effects of Anisotropy

NASA Astrophysics Data System (ADS)

Kang, Yeon June

In this thesis an elastic-absorption finite element model of isotropic elastic porous noise control materials is first presented as a means of investigating the effects of finite dimension and edge constraints on the sound absorption by, and transmission through, layers of acoustical foams. Methods for coupling foam finite elements with conventional acoustic and structural finite elements are also described. The foam finite element model based on the Biot theory allows for the simultaneous propagation of the three types of waves known to exist in an elastic porous material. Various sets of boundary conditions appropriate for modeling open, membrane-sealed and panel-bonded foam surfaces are formulated and described. Good agreement was achieved when finite element predictions were compared with previously established analytical results for the plane wave absorption coefficient and transmission loss in the case of wave propagation both in foam-filled waveguides and through foam-lined double panel structures of infinite lateral extent. The primary effect of the edge constraints of a foam layer was found to be an acoustical stiffening of the foam. Constraining the ends of the facing panels in foam-lined double panel systems was also found to increase the sound transmission loss significantly in the low frequency range. In addition, a theoretical multi-dimensional model for wave propagation in anisotropic elastic porous materials was developed to study the effect of anisotropy on the sound transmission of foam-lined noise control treatments. The predictions of the theoretical anisotropic model have been compared with experimental measurements for the random incidence sound transmission through double panel structure lined with polyimide foam. The predictions were made by using the measured and estimated macroscopic physical parameters of polyimide foam samples which were known to be anisotropic. It has been found that the macroscopic physical parameters in the direction normal to the face of foam layer play the principal role in determining the acoustical behavior of polyimide foam layers, although more satisfactory agreement between experimental measurements and theoretical predictions of transmission loss is obtained when the anisotropic properties are allowed in the model.
Fear and Loving in Las Vegas: Evolution, Emotion, and Persuasion.

PubMed

Griskevicius, Vladas; Goldstein, Noah J; Mortensen, Chad R; Sundie, Jill M; Cialdini, Robert B; Kenrick, Douglas T

2009-06-01

How do arousal-inducing contexts, such as frightening or romantic television programs, influence the effectiveness of basic persuasion heuristics? Different predictions are made by three theoretical models: A general arousal model predicts that arousal should increase effectiveness of heuristics; an affective valence model predicts that effectiveness should depend on whether the context elicits positive or negative affect; an evolutionary model predicts that persuasiveness should depend on both the specific emotion that is elicited and the content of the particular heuristic. Three experiments examined how fear-inducing versus romantic contexts influenced the effectiveness of two widely used heuristics-social proof (e.g., "most popular") and scarcity (e.g., "limited edition"). Results supported predictions from an evolutionary model, showing that fear can lead scarcity appeals to be counter-persuasive, and that romantic desire can lead social proof appeals to be counter-persuasive. The findings highlight how an evolutionary theoretical approach can lead to novel theoretical and practical marketing insights.
Optimizing the stimulus presentation paradigm design for the P300-based brain-computer interface using performance prediction.

PubMed

Mainsah, B O; Reeves, G; Collins, L M; Throckmorton, C S

2017-08-01

The role of a brain-computer interface (BCI) is to discern a user's intended message or action by extracting and decoding relevant information from brain signals. Stimulus-driven BCIs, such as the P300 speller, rely on detecting event-related potentials (ERPs) in response to a user attending to relevant or target stimulus events. However, this process is error-prone because the ERPs are embedded in noisy electroencephalography (EEG) data, representing a fundamental problem in communication of the uncertainty in the information that is received during noisy transmission. A BCI can be modeled as a noisy communication system and an information-theoretic approach can be exploited to design a stimulus presentation paradigm to maximize the information content that is presented to the user. However, previous methods that focused on designing error-correcting codes failed to provide significant performance improvements due to underestimating the effects of psycho-physiological factors on the P300 ERP elicitation process and a limited ability to predict online performance with their proposed methods. Maximizing the information rate favors the selection of stimulus presentation patterns with increased target presentation frequency, which exacerbates refractory effects and negatively impacts performance within the context of an oddball paradigm. An information-theoretic approach that seeks to understand the fundamental trade-off between information rate and reliability is desirable. We developed a performance-based paradigm (PBP) by tuning specific parameters of the stimulus presentation paradigm to maximize performance while minimizing refractory effects. We used a probabilistic-based performance prediction method as an evaluation criterion to select a final configuration of the PBP. With our PBP, we demonstrate statistically significant improvements in online performance, both in accuracy and spelling rate, compared to the conventional row-column paradigm. By accounting for refractory effects, an information-theoretic approach can be exploited to significantly improve BCI performance across a wide range of performance levels.
Testing Fundamental Physics with Distant Star Clusters: Analysis of Observational Data on Palomar 14

NASA Astrophysics Data System (ADS)

Jordi, K.; Grebel, E. K.; Hilker, M.; Baumgardt, H.; Frank, M.; Kroupa, P.; Haghi, H.; Côté, P.; Djorgovski, S. G.

2009-06-01

We use the distant outer halo globular cluster Palomar 14 as a test case for classical versus modified Newtonian dynamics (MOND). Previous theoretical calculations have shown that the line-of-sight velocity dispersion predicted by these theories can differ by up to a factor of 3 for such sparse, remote clusters like Pal 14. We determine the line-of-sight velocity dispersion of Palomar 14 by measuring radial velocities of 17 red giant cluster members obtained using the Very Large Telescope and Keck telescope. The systemic velocity of Palomar 14 is (72.28 ± 0.12) km s-1. The derived velocity dispersion of (0.38 ± 0.12) km s-1 of the 16 definite member stars is in agreement with the theoretical prediction for the classical Newtonian case according to Baumgardt et al. In order to exclude the possibility that a peculiar mass function might have influenced our measurements, we derived the cluster's main-sequence mass function down to 0.53 M sun using archival images obtained with the Hubble Space Telescope. We found a mass function slope of α = 1.27 ± 0.44, which is, compared to the canonical mass function, a significantly shallower slope. The derived lower limit on the cluster's mass is higher than the theoretically predicted mass in the case of MOND. Our data are consistent with a central density of ρ0 = 0.1 M sun pc-3. We need no dark matter in Palomar 14. If the cluster is on a circular orbit, our spectroscopic and photometric results argue against MOND, unless the cluster experienced significant mass loss. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.
Optimizing the stimulus presentation paradigm design for the P300-based brain-computer interface using performance prediction

NASA Astrophysics Data System (ADS)

Mainsah, B. O.; Reeves, G.; Collins, L. M.; Throckmorton, C. S.

2017-08-01

Objective. The role of a brain-computer interface (BCI) is to discern a user’s intended message or action by extracting and decoding relevant information from brain signals. Stimulus-driven BCIs, such as the P300 speller, rely on detecting event-related potentials (ERPs) in response to a user attending to relevant or target stimulus events. However, this process is error-prone because the ERPs are embedded in noisy electroencephalography (EEG) data, representing a fundamental problem in communication of the uncertainty in the information that is received during noisy transmission. A BCI can be modeled as a noisy communication system and an information-theoretic approach can be exploited to design a stimulus presentation paradigm to maximize the information content that is presented to the user. However, previous methods that focused on designing error-correcting codes failed to provide significant performance improvements due to underestimating the effects of psycho-physiological factors on the P300 ERP elicitation process and a limited ability to predict online performance with their proposed methods. Maximizing the information rate favors the selection of stimulus presentation patterns with increased target presentation frequency, which exacerbates refractory effects and negatively impacts performance within the context of an oddball paradigm. An information-theoretic approach that seeks to understand the fundamental trade-off between information rate and reliability is desirable. Approach. We developed a performance-based paradigm (PBP) by tuning specific parameters of the stimulus presentation paradigm to maximize performance while minimizing refractory effects. We used a probabilistic-based performance prediction method as an evaluation criterion to select a final configuration of the PBP. Main results. With our PBP, we demonstrate statistically significant improvements in online performance, both in accuracy and spelling rate, compared to the conventional row-column paradigm. Significance. By accounting for refractory effects, an information-theoretic approach can be exploited to significantly improve BCI performance across a wide range of performance levels.
Recent research related to prediction of stall/spin characteristics of fighter aircraft

NASA Technical Reports Server (NTRS)

Nguyen, L. T.; Anglin, E. L.; Gilbert, W. P.

1976-01-01

The NASA Langley Research Center is currently engaged in a stall/spin research program to provide the fundamental information and design guidelines required to predict the stall/spin characteristics of fighter aircraft. The prediction methods under study include theoretical spin prediction techniques and piloted simulation studies. The paper discusses the overall status of theoretical techniques including: (1) input data requirements, (2) math model requirements, and (3) correlation between theoretical and experimental results. The Langley Differential Maneuvering Simulator (DMS) facility has been used to evaluate the spin susceptibility of several current fighters during typical air combat maneuvers and to develop and evaluate the effectiveness of automatic departure/spin prevention concepts. The evaluation procedure is described and some of the more significant results of the studies are presented.
Monte Carlo simulations of electrical percolation in multicomponent thin films with nanofillers

NASA Astrophysics Data System (ADS)

Ni, Xiaojuan; Hui, Chao; Su, Ninghai; Jiang, Wei; Liu, Feng

2018-02-01

We developed a 2D disk-stick percolation model to investigate the electrical percolation behavior of an insulating thin film reinforced with 1D and 2D conductive nanofillers via Monte Carlo simulation. Numerical predictions of the percolation threshold in single component thin films showed good agreement with the previous published work, validating our model for investigating the characteristics of the percolation phenomena. Parametric studies of size effect, i.e., length of 1D nanofiller and diameter of 2D nanofiller, were carried out to predict the electrical percolation threshold for hybrid systems. The relationships between the nanofillers in two hybrid systems was established, which showed differences from previous linear assumption. The effective electrical conductance was evaluated through Kirchhoff’s current law by transforming it into a resistor network. The equivalent resistance was obtained from the distribution of nodal voltages by solving a system of linear equations with a Gaussian elimination method. We examined the effects of stick length, relative concentration, and contact patterns of 1D/2D inclusions on electrical performance. One novel aspect of our study is its ability to investigate the effective conductance of nanocomposites as a function of relative concentrations, which shows there is a synergistic effect when nanofillers with different dimensionalities combine properly. Our work provides an important theoretical basis for designing the conductive networks and predicting the percolation properties of multicomponent nanocomposites.
Open charm meson production at BNL RHIC within kt-factorization approach and revision of their semileptonic decays

NASA Astrophysics Data System (ADS)

Maciuła, Rafał; Szczurek, Antoni; Łuszczak, Marta

2015-09-01

We discuss inclusive production of open charm mesons in proton-proton scattering at the BNL RHIC. The calculation is performed in the framework of kt-factorization approach which effectively includes higher-order pQCD corrections. Different models of unintegrated gluon distributions (UGDF) from the literature are used. We focus on UGDF models favored by the LHC data and on a new up-to-date parametrizations based on the HERA collider deep-inelastic scattering high-precision data. Results of the kt-factorization approach are compared to next-to-leading order collinear predictions. The hadronization of heavy quarks is done by means of fragmentation function technique. The theoretical transverse momentum distributions of charmed mesons are compared with recent experimental data of the STAR collaboration at √{s }=200 and 500 GeV. Theoretical uncertainties related to the choice of renormalization and factorization scales as well as due to the quark mass are discussed. A very good description of the measured integrated cross sections and differential distributions is obtained for the Jung setB0 CCFM UGDF. Revised charm and bottom theoretical cross sections corresponding to those measured recently by the STAR and PHENIX collaborations for semileptonic decays of D and B mesons are presented. Significant improvement in theoretical description of the nonphotonic electrons measurements is clearly obtained with respect to the previous studies within the kt-factorization.
Maximum swimming speeds of sailfish and three other large marine predatory fish species based on muscle contraction time and stride length: a myth revisited

PubMed Central

Svendsen, Morten B. S.; Domenici, Paolo; Marras, Stefano; Krause, Jens; Boswell, Kevin M.; Rodriguez-Pinto, Ivan; Wilson, Alexander D. M.; Kurvers, Ralf H. J. M.; Viblanc, Paul E.; Finger, Jean S.; Steffensen, John F.

2016-01-01

ABSTRACT Billfishes are considered to be among the fastest swimmers in the oceans. Previous studies have estimated maximum speed of sailfish and black marlin at around 35 m s−1 but theoretical work on cavitation predicts that such extreme speed is unlikely. Here we investigated maximum speed of sailfish, and three other large marine pelagic predatory fish species, by measuring the twitch contraction time of anaerobic swimming muscle. The highest estimated maximum swimming speeds were found in sailfish (8.3±1.4 m s−1), followed by barracuda (6.2±1.0 m s−1), little tunny (5.6±0.2 m s−1) and dorado (4.0±0.9 m s−1); although size-corrected performance was highest in little tunny and lowest in sailfish. Contrary to previously reported estimates, our results suggest that sailfish are incapable of exceeding swimming speeds of 10-15 m s−1, which corresponds to the speed at which cavitation is predicted to occur, with destructive consequences for fin tissues. PMID:27543056
Continuous high-solids corn liquefaction and fermentation with stripping of ethanol.

PubMed

Taylor, Frank; Marquez, Marco A; Johnston, David B; Goldberg, Neil M; Hicks, Kevin B

2010-06-01

Removal of ethanol from the fermentor during fermentation can increase productivity and reduce the costs for dewatering the product and coproduct. One approach is to recycle the fermentor contents through a stripping column, where a non-condensable gas removes ethanol to a condenser. Previous research showed that this approach is feasible. Savings of $0.03 per gallon were predicted at 34% corn dry solids. Greater savings were predicted at higher concentration. Now the feasibility has been demonstrated at over 40% corn dry solids, using a continuous corn liquefaction system. A pilot plant, that continuously fed corn meal at more than one bushel (25 kg) per day, was operated for 60 consecutive days, continuously converting 95% of starch and producing 88% of the maximum theoretical yield of ethanol. A computer simulation was used to analyze the results. The fermentation and stripping systems were not significantly affected when the CO(2) stripping gas was partially replaced by nitrogen or air, potentially lowering costs associated with the gas recycle loop. It was concluded that previous estimates of potential cost savings are still valid. (c) 2010. Published by Elsevier Ltd. All rights reserved.

An evolutionary psychological investigation of parental distress and reproductive coercion during the "coming out" of gay sons.

PubMed

Wisniewski, Timothy J; Robinson, Thomas N; Deluty, Robert H

2010-01-01

The lack of success of the "coming out" studies over the last three decades to explain and predict parental responses has motivated an evolutionary psychological reconceptualization. According to this reconceptualization, it was predicted that (a) biological mothers would experience more distress and apply more pressure on gay sons to change than would biological fathers and; (b) obligate investment for fathers on dependent sons would cause fathers to experience more distress and apply more pressure on gay sons to change than it would fathers without this obligate investment. In contrast, a cultural-norm hypothesis predicted that fathers would experience more distress and apply more pressure on gay sons to change than mothers. The majority of predictions were tested using 787 participants from two-biological parent families, who were drawn from a total sample of 891 participants from various family backgrounds. As predicted by the evolutionary hypothesis, biological mothers were reported to have been more distressed and coercive than biological fathers, in spite of a strong, societal expectation to the contrary. Furthermore, the results supported the obligate investment argument for paternal reactions. The model not only correctly explained and predicted parental behavior during coming out, but also was shown to unify within its theoretical framework discrepant results from the literature previously considered inconsistent.
Synthesis of rhenium nitride crystals with MoS2 structure

NASA Astrophysics Data System (ADS)

Kawamura, Fumio; Yusa, Hitoshi; Taniguchi, Takashi

2012-06-01

Rhenium nitride (ReN2) crystals were synthesized from a metathesis reaction between ReCl5 and Li3N under high pressure. The reaction was well controlled by the addition of a large amount of NaCl as reaction inhibitor to prevent a violent exothermic reaction. The largest rhenium nitride crystals obtained had a millimeter-order size with a platelet shape. X-ray diffraction analysis revealed that rhenium nitride has MoS2 structure similar to hexagonal rhenium diboride (ReB2) which has recently been investigated as an ultra-hard material. The structure was different from any structures previously predicted for ReN2 by theoretical calculations.
A generalized analytical model for radiative transfer in vacuum thermal insulation of space vehicles

NASA Astrophysics Data System (ADS)

Krainova, Irina V.; Dombrovsky, Leonid A.; Nenarokomov, Aleksey V.; Budnik, Sergey A.; Titov, Dmitry M.; Alifanov, Oleg M.

2017-08-01

The previously developed spectral model for radiative transfer in vacuum thermal insulation of space vehicles is generalized to take into account possible thermal contact between a fibrous spacer and one of the neighboring aluminum foil layers. An approximate analytical solution based on slightly modified two-flux approximation for radiative transfer in a semi-transparent fibrous spacer is derived. It was shown that thermal contact between the spacer and adjacent foil may decrease significantly the quality of thermal insulation because of an increase in radiative flux to/from the opposite aluminum foil. Theoretical predictions are confirmed by comparison with new results of laboratory experiments.
Evaluation of a fast single-photon avalanche photodiode for measurement of early transmitted photons through diffusive media.

PubMed

Mu, Ying; Valim, Niksa; Niedre, Mark

2013-06-15

We tested the performance of a fast single-photon avalanche photodiode (SPAD) in measurement of early transmitted photons through diffusive media. In combination with a femtosecond titanium:sapphire laser, the overall instrument temporal response time was 59 ps. Using two experimental models, we showed that the SPAD allowed measurement of photon-density sensitivity functions that were approximately 65% narrower than the ungated continuous wave case at very early times. This exceeds the performance that we have previously achieved with photomultiplier-tube-based systems and approaches the theoretical maximum predicted by time-resolved Monte Carlo simulations.
The Mechanical Properties of Nanowires

PubMed Central

Wang, Shiliang; Shan, Zhiwei

2017-01-01

Applications of nanowires into future generation nanodevices require a complete understanding of the mechanical properties of the nanowires. A great research effort has been made in the past two decades to understand the deformation physics and mechanical behaviors of nanowires, and to interpret the discrepancies between experimental measurements and theoretical predictions. This review focused on the characterization and understanding of the mechanical properties of nanowires, including elasticity, plasticity, anelasticity and strength. As the results from the previous literature in this area appear inconsistent, a critical evaluation of the characterization techniques and methodologies were presented. In particular, the size effects of nanowires on the mechanical properties and their deformation mechanisms were discussed. PMID:28435775
Muon-catalyzed D-T fusion at low temperature

NASA Astrophysics Data System (ADS)

Breunlich, W. H.; Cargnelli, M.; Kammel, P.; Marton, J.; Naegele, N.; Pawlek, P.; Scrinzi, A.; Werner, J.; Zmeskal, J.; Bistirlich, J.; Crowe, K. M.; Justice, M.; Kurck, J.; Petitjean, C.; Sherman, R. H.; Bossy, H.; Daniel, H.; Hartmann, F. J.; Neumann, W.; Schmidt, G.

1987-01-01

Muon-catalyzed deuterium-tritium fusion was investigated within a wide range of mixtures in liquid and gas (23-35 K) by detection of fusion neutrons. Our improved analysis includes hyperfine effects and allows a clear separation of intrinsic dt sticking ωs from kinetic effects. Strongly density-dependent cycle rates with values up to 1.45×108 s-1, yields of 113 fusions per muon, and ωs=(0.45+/-0.05)% are found. In comparison with previous experiments we confirm that ωs in liquid is lower than theoretically predicted, but do not find a strong dependence on either ct or density.
Resistive method for measuring the disintegration speed of Prince Rupert's drops

NASA Astrophysics Data System (ADS)

Bochkov, Mark; Gusenkova, Daria; Glushkov, Evgenii; Zotova, Julia; Zhabin, S. N.

2016-09-01

We have successfully applied the resistance grid technique to measure the disintegration speed in a special type of glass objects, widely known as Prince Rupert's drops. We use a fast digital oscilloscope and a simple electrical circuit, glued to the surface of the drops, to detect the voltage changes, corresponding to the breaks in the specific parts of the drops. The results obtained using this method are in good qualitative and quantitative agreement with theoretical predictions and previously published data. Moreover, the proposed experimental setup does not include any expensive equipment (such as a high-speed camera) and can therefore be widely used in high schools and universities.
Analysis of a Near Field MIMO Wireless Channel Using 5.6 GHz Dipole Antennas

NASA Astrophysics Data System (ADS)

Maricar, Mohamed Ismaeel; Gradoni, Gabriele; Greedy, Steve; Ivrlac, Michel T.; Nossek, Josef A.; Phang, Sendy; Creagh, Stephen C.; Tanner, Gregor; Thomas, David W. P.

2016-05-01

Understanding the impact of interference upon the performance of a multiple input multiple output (MIMO) based device is of paramount importance in ensuring a design is both resilient and robust. In this work the effect of element-element interference in the creation of multiple channels of a wireless link approaching the near-field regime is studied. The elements of the 2-antenna transmit- and receive-arrays are chosen to be identical folded dipole antennas operating at 5.6 GHz. We find that two equally strong channels can be created even if the antennas interact at sub-wavelength distances, thus confirming previous theoretical predictions.
Direct generation of abruptly focusing vortex beams using a 3/2 radial phase-only pattern.

PubMed

Davis, Jeffrey A; Cottrell, Don M; Zinn, Jonathan M

2013-03-20

Abruptly focusing Airy beams have previously been generated using a radial cubic phase pattern that represents the Fourier transform of the Airy beam. The Fourier transform of this pattern is formed using a system length of 2f, where f is the focal length of the Fourier transform lens. In this work, we directly generate these abruptly focusing Airy beams using a 3/2 radial phase pattern encoded onto a liquid crystal display. The resulting optical system is much shorter. In addition, we can easily produce vortex patterns at the focal point of these beams. Experimental results match theoretical predictions.
New leads in speculative behavior

NASA Astrophysics Data System (ADS)

Kindler, A.; Bourgeois-Gironde, S.; Lefebvre, G.; Solomon, S.

2017-02-01

The Kiyotaki and Wright (1989) (henceforth KW) model of money emergence as a medium of exchange has been studied from various perspectives in recent papers. In the present work we propose a minimalistic model for the behavior of agents in the KW framework, which may either reproduce the theoretical predictions of Kiyotaki and Wright (1989) on the emerging Nash equilibria, or (less closely) the empirical results of Brown (1996), Duffy and Ochs (1999) and our own, introduced in a first part of the present paper. The main import is the systematic computer scanning of speculative monetary equilibria under drastic bounded rationality of agents, based on behavior previously observed in the lab.
Have children adapted to their mothers working, or was adaptation unnecessary? Cohort effects and the relationship between maternal employment and child well-being.

PubMed

Wills, Jeremiah B; Brauer, Jonathan R

2012-03-01

Drawing on previous theoretical and empirical work, we posit that maternal employment influences on child well-being vary across birth cohorts. We investigate this possibility by analyzing longitudinal data from a sample of children and their mothers drawn from the National Longitudinal Survey of Youth. We introduce a series of age, cohort, and maternal employment interaction terms into multilevel models predicting child well-being to assess whether any potential short-term or long-term effects of early and current maternal employment vary across birth cohorts. Results indicate that maternal employment largely is inconsequential to child well-being regardless of birth cohort, with a few exceptions. For instance, children born in earlier cohorts may have experienced long-term positive effects of having an employed mother; however, as maternal employment became more commonplace in recent cohorts, these beneficial effects appear to have disappeared. We discuss theoretical and methodological implications of these findings. Copyright © 2011 Elsevier Inc. All rights reserved.
Theoretical studies of surface enhanced hyper-Raman spectroscopy: The chemical enhancement mechanism

NASA Astrophysics Data System (ADS)

Valley, Nicholas; Jensen, Lasse; Autschbach, Jochen; Schatz, George C.

2010-08-01

Hyper-Raman spectra for pyridine and pyridine on the surface of a tetrahedral 20 silver atom cluster are calculated using static hyperpolarizability derivatives obtained from time dependent density functional theory. The stability of the results with respect to choice of exchange-correlation functional and basis set is verified by comparison with experiment and with Raman spectra calculated for the same systems using the same methods. Calculated Raman spectra were found to match well with experiment and previous theoretical calculations. The calculated normal and surface enhanced hyper-Raman spectra closely match experimental results. The chemical enhancement factors for hyper-Raman are generally larger than for Raman (102-104 versus 101-102). Integrated hyper-Raman chemical enhancement factors are presented for a set of substituted pyridines. A two-state model is developed to predict these chemical enhancement factors and this was found to work well for the majority of the molecules considered, providing a rationalization for the difference between hyper-Raman and Raman enhancement factors.
Correspondence between theoretical models and dual energy x-ray absorptiometry measurements of femoral cross-sectional growth during adolescence

NASA Technical Reports Server (NTRS)

van der Meulen, M. C.; Marcus, R.; Bachrach, L. K.; Carter, D. R.

1997-01-01

We have developed an analytical model of long bone cross-sectional ontogeny in which appositional growth of the diaphysis is primarily driven by mechanical stimuli associated with increasing body mass during growth and development. In this study, our goal was to compare theoretical predictions of femoral diaphyseal structure from this model with measurements of femoral bone mineral and geometry by dual energy x-ray absorptiometry. Measurements of mid-diaphyseal femoral geometry and structure were made previously in 101 Caucasian adolescents and young adults 9-26 years of age. The data on measured bone mineral content and calculated section modulus were compared with the results of our analytical model of cross-sectional development of the human femur over the same age range. Both bone mineral content and section modulus showed good correspondence with experimental measurements when the relationships with age and body mass were examined. Strong linear relationships were evident for both parameters when examined as a function of body mass.
Theoretical prediction of the vibrational spectra of group IB trimers

PubMed Central

Richtsmeier, Steven C.; Gole, James L.; Dixon, David A.

1980-01-01

The molecular structures of the group IB trimers, Cu3, Ag3, and Au3, have been determined by using the semi-empirical diatomics-in-molecules theory. The trimers are found to have C2v symmetry with bond angles between 65° and 80°. The trimers are bound with respect to dissociation to the asymptotic limit of an atom plus a diatom. The binding energies per atom for Cu3, Ag3, and Au3 are 1.08, 0.75, and 1.16 eV, respectively. The vibrational frequencies of the trimers have been determined for comparison with experimental results. The vibrational frequencies are characterized by low values for the bending and asymmetric stretch modes. The frequency of the symmetric stretch of the trimer is higher than the stretching frequency of the corresponding diatomic. A detailed comparison of the theoretical results with the previously measured Raman spectra of matrix isolated Ag3 is presented. PMID:16592885
Skylab S-193 radar altimeter experiment analyses and results

NASA Technical Reports Server (NTRS)

Brown, G. S. (Editor)

1977-01-01

The design of optimum filtering procedures for geoid recovery is discussed. Statistical error bounds are obtained for pointing angle estimates using average waveform data. A correlation of tracking loop bandwidth with magnitude of pointing error is established. The impact of ocean currents and precipitation on the received power are shown to be measurable effects. For large sea state conditions, measurements of sigma 0 deg indicate a distinct saturation level of about 8 dB. Near-nadir less than 15 deg values of sigma 0 deg are also presented and compared with theoretical models. Examination of Great Salt Lake Desert scattering data leads to rejection of a previously hypothesized specularly reflecting surface. Pulse-to-pulse correlation results are in agreement with quasi-monochromatic optics theoretical predictions and indicate a means for estimating direction of pointing error. Pulse compression techniques for and results of estimating significant waveheight from waveform data are presented and are also shown to be in good agreement with surface truth data. A number of results pertaining to system performance are presented.
Effects of the target aspect ratio and intrinsic reactivity onto diffusive search in bounded domains

NASA Astrophysics Data System (ADS)

Grebenkov, Denis S.; Metzler, Ralf; Oshanin, Gleb

2017-10-01

We study the mean first passage time (MFPT) to a reaction event on a specific site in a cylindrical geometry—characteristic, for instance, for bacterial cells, with a concentric inner cylinder representing the nuclear region of the bacterial cell. A similar problem emerges in the description of a diffusive search by a transcription factor protein for a specific binding region on a single strand of DNA. We develop a unified theoretical approach to study the underlying boundary value problem which is based on a self-consistent approximation of the mixed boundary condition. Our approach permits us to derive explicit, novel, closed-form expressions for the MFPT valid for a generic setting with an arbitrary relation between the system parameters. We analyse this general result in the asymptotic limits appropriate for the above-mentioned biophysical problems. Our investigation reveals the crucial role of the target aspect ratio and of the intrinsic reactivity of the binding region, which were disregarded in previous studies. Theoretical predictions are confirmed by numerical simulations.
Intraspecific scaling laws of vascular trees.

PubMed

Huo, Yunlong; Kassab, Ghassan S

2012-01-07

A fundamental physics-based derivation of intraspecific scaling laws of vascular trees has not been previously realized. Here, we provide such a theoretical derivation for the volume-diameter and flow-length scaling laws of intraspecific vascular trees. In conjunction with the minimum energy hypothesis, this formulation also results in diameter-length, flow-diameter and flow-volume scaling laws. The intraspecific scaling predicts the volume-diameter power relation with a theoretical exponent of 3, which is validated by the experimental measurements for the three major coronary arterial trees in swine (where a least-squares fit of these measurements has exponents of 2.96, 3 and 2.98 for the left anterior descending artery, left circumflex artery and right coronary artery trees, respectively). This scaling law as well as others agrees very well with the measured morphometric data of vascular trees in various other organs and species. This study is fundamental to the understanding of morphological and haemodynamic features in a biological vascular tree and has implications for vascular disease.
Quantum simulation of thermally-driven phase transition and oxygen K-edge x-ray absorption of high-pressure ice

PubMed Central

Kang, Dongdong; Dai, Jiayu; Sun, Huayang; Hou, Yong; Yuan, Jianmin

2013-01-01

The structure and phase transition of high-pressure ice are of long-standing interest and challenge, and there is still a huge gap between theoretical and experimental understanding. The quantum nature of protons such as delocalization, quantum tunneling and zero-point motion is crucial to the comprehension of the properties of high-pressure ice. Here we investigated the temperature-induced phase transition and oxygen K-edge x-ray absorption spectra of ice VII, VIII and X using ab initio path-integral molecular dynamics simulations. The tremendous difference between experiments and the previous theoretical predictions is closed for the phase diagram of ice below 300 K at pressures up to 110 GPa. Proton tunneling assists the proton-ordered ice VIII to transform into proton-disordered ice VII where only thermal activated proton-transfer cannot occur. The oxygen K edge with its shift is sensitive to the order-disorder transition, and therefore can be applied to diagnose the dynamics of ice structures. PMID:24253589
Spiral wave chimera states in large populations of coupled chemical oscillators

NASA Astrophysics Data System (ADS)

Totz, Jan Frederik; Rode, Julian; Tinsley, Mark R.; Showalter, Kenneth; Engel, Harald

2018-03-01

The coexistence of coherent and incoherent dynamics in a population of identically coupled oscillators is known as a chimera state1,2. Discovered in 20023, this counterintuitive dynamical behaviour has inspired extensive theoretical and experimental activity4-15. The spiral wave chimera is a particularly remarkable chimera state, in which an ordered spiral wave rotates around a core consisting of asynchronous oscillators. Spiral wave chimeras were theoretically predicted in 200416 and numerically studied in a variety of systems17-23. Here, we report their experimental verification using large populations of nonlocally coupled Belousov-Zhabotinsky chemical oscillators10,18 in a two-dimensional array. We characterize previously unreported spatiotemporal dynamics, including erratic motion of the asynchronous spiral core, growth and splitting of the cores, as well as the transition from the chimera state to disordered behaviour. Spiral wave chimeras are likely to occur in other systems with long-range interactions, such as cortical tissues24, cilia carpets25, SQUID metamaterials26 and arrays of optomechanical oscillators9.
A theoretical study of the adiabatic and vertical ionization potentials of water.

PubMed

Feller, David; Davidson, Ernest R

2018-06-21

Theoretical predictions of the three lowest adiabatic and vertical ionization potentials of water were obtained from the Feller-Peterson-Dixon approach. This approach combines multiple levels of coupled cluster theory with basis sets as large as aug-cc-pV8Z in some cases and various corrections up to and including full configuration interaction theory. While agreement with experiment for the adiabatic ionization potential of the lowest energy 2 B 1 state was excellent, differences for other states were much larger, sometimes exceeding 10 kcal/mol (0.43 eV). Errors of this magnitude are inconsistent with previous benchmark work on 52 adiabatic ionization potentials, where a root mean square of 0.20 kcal/mol (0.009 eV) was found. Difficulties in direct comparisons between theory and experiment for vertical ionization potentials are discussed. With regard to the differences found for the 2 A 1 / 2 Π u and 2 B 2 adiabatic ionization potentials, a reinterpretation of the experimental spectrum appears justified.

Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films

DOE PAGES

Logan, J. A.; Patel, S. J.; Harrington, S. D.; ...

2016-06-27

The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi 2Se 3, has generated much interest in identifying topological surface states (TSSs) in other classes of materials. In particular, recent theoretical calculations suggest that TSSs may be found in half-Heusler ternary compounds. If experimentally realizable, this would provide a materials platform for entirely new heterostructure spintronic devices that make use of the structurally identical but electronically varied nature of Heusler compounds. Here we show the presence of a TSS in epitaxially grown thin films of the half-Heusler compound PtLuSb. Spin-more » and angle-resolved photoemission spectroscopy, complemented by theoretical calculations, reveals a surface state with linear dispersion and a helical tangential spin texture consistent with previous predictions. As a result, this experimental verification of topological behavior is a significant step forward in establishing half-Heusler compounds as a viable material system for future spintronic devices.« less
On the shape of the hospital industry long run average cost curve.

PubMed Central

Finkler, S A

1979-01-01

Empirical studies of the hospital industry have produced conflicting results with respect to the shape of the industry's long run average cost (LRAC) curve. Some of the studies have found a classical U-shaped curve. Others have produced results indicating that the LRAC curve is much closer to being L-shaped. Some theoretical support exists for both sets of findings. While classical theory predicts that the LRAC curve will be U-shaped, Alchian has presented theoretical arguments explaining why such curves would be L-shaped. This paper reconciles the results of these studies. The basis for the reconciliation is recognition of the failure of individual hospitals to produce all their individual product lines at efficient volumes. Such inefficient production is feasible and perhaps common, given the incentive structure which exists under current cost reimbursement systems. The implication of this paper is that large hospitals may have a greater potential for scale economies than has previously been recognized. PMID:528221
Scrounging by foragers can resolve the paradox of enrichment

PubMed Central

2017-01-01

Theoretical models of predator–prey systems predict that sufficient enrichment of prey can generate large amplitude limit cycles, paradoxically causing a high risk of extinction (the paradox of enrichment). Although real ecological communities contain many gregarious species, whose foraging behaviour should be influenced by socially transmitted information, few theoretical studies have examined the possibility that social foraging might resolve this paradox. I considered a predator population in which individuals play the producer–scrounger foraging game in one-prey-one-predator and two-prey-one-predator systems. I analysed the stability of a coexisting equilibrium point in the one-prey system and that of non-equilibrium dynamics in the two-prey system. The results revealed that social foraging could stabilize both systems, and thereby resolve the paradox of enrichment when scrounging behaviour (i.e. kleptoparasitism) is prevalent in predators. This suggests a previously neglected mechanism underlying a powerful effect of group-living animals on the sustainability of ecological communities. PMID:28405371
DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Qiang, E-mail: cq0405@126.com; Luoyang Electronic Equipment Testing Center, Luoyang 471000; Chen, Bin, E-mail: emcchen@163.com

The Rayleigh-Taylor (R-T) instabilities are important hydrodynamics and magnetohydrodynamics (MHD) phenomena that are found in systems in high energy density physics and normal fluids. The formation and evolution of the R-T instability at channel boundary during back-flow of the lightning return stroke are analyzed using the linear perturbation theory and normal mode analysis methods, and the linear growth rate of the R-T instability in typical condition for lightning return stroke channel is obtained. Then, the R-T instability phenomena of lightning return stroke are simulated using a two-dimensional Eulerian finite volumes resistive radiation MHD code. The numerical results show that themore » evolution characteristics of the R-T instability in the early stage of back-flow are consistent with theoretical predictions obtained by linear analysis. The simulation also yields more evolution characteristics for the R-T instability beyond the linear theory. The results of this work apply to some observed features of the return stroke channel and further advance previous theoretical and experimental work.« less
On the shape of the hospital industry long run average cost curve.

PubMed

Finkler, S A

1979-01-01

Empirical studies of the hospital industry have produced conflicting results with respect to the shape of the industry's long run average cost (LRAC) curve. Some of the studies have found a classical U-shaped curve. Others have produced results indicating that the LRAC curve is much closer to being L-shaped. Some theoretical support exists for both sets of findings. While classical theory predicts that the LRAC curve will be U-shaped, Alchian has presented theoretical arguments explaining why such curves would be L-shaped. This paper reconciles the results of these studies. The basis for the reconciliation is recognition of the failure of individual hospitals to produce all their individual product lines at efficient volumes. Such inefficient production is feasible and perhaps common, given the incentive structure which exists under current cost reimbursement systems. The implication of this paper is that large hospitals may have a greater potential for scale economies than has previously been recognized.
Atomically Resolved STM Characterization of the 3-D Dirac Semimetal Cd3As2

NASA Astrophysics Data System (ADS)

Butler, Christopher; Tseng, Yi; Hsing, Cheng-Rong; Wu, Yu-Mi; Sankar, Raman; Wang, Mei-Fang; Wei, Ching-Ming; Chou, Fang-Cheng; Lin, Minn-Tsong

Dirac semimetals such as Cd3As2 are a recently discovered class of materials which host three-dimensional linear dispersion around point-like band crossings in the bulk Brillouin zone, and hence represent three-dimensional analogues of graphene. This electronic phase is enabled by specific crystal symmetries: In the case of Cd3As2, a C4 rotational symmetry associated with its peculiar corkscrew arrangement of systematic Cd vacancies. Although this arrangement underpins the current crystallographic understanding of Cd3As2, and all its theoretical implications, it is strangely absent in surface microscopic investigations reported previously. Here we use a combined approach of scanning tunneling microscopy and ab initio calculations to show that the currently held crystallographic model of Cd3As2 is indeed predictive of a periodic zig-zag superstructure at the (112) surface, which we observe in scanning tunneling microscopy images. This helps to reconcile the current state of microscopic surface observations with the prevailing crystallographic and theoretical models.
The effects of competition on medical service provision.

PubMed

Brosig-Koch, Jeannette; Hehenkamp, Burkhard; Kokot, Johanna

2017-12-01

We explore how competition between physicians affects medical service provision. Previous research has shown that, without competition, physicians deviate from patient-optimal treatment under payment systems like capitation and fee-for-service. Although competition might reduce these distortions, physicians usually interact with each other repeatedly over time and only a fraction of patients switches providers at all. Both patterns might prevent competition to work in the desired direction. To analyze the behavioral effects of competition, we develop a theoretical benchmark that is then tested in a controlled laboratory experiment. Experimental conditions vary physician payment and patient characteristics. Real patients benefit from provision decisions made in the experiment. Our results reveal that, in line with the theoretical prediction, introducing competition can reduce overprovision and underprovision, respectively. The observed effects depend on patient characteristics and the payment system, though. Tacit collusion is observed and particularly pronounced with fee-for-service payment, but it appears to be less frequent than in related experimental research on price competition. Copyright © 2017 John Wiley & Sons, Ltd.
Theoretical model of hardness anisotropy in brittle materials

NASA Astrophysics Data System (ADS)

Gao, Faming

2012-07-01

Anisotropy is prominent in the hardness test of single crystals. However, the anisotropic nature is not demonstrated quantitatively in previous hardness model. In this work, it is found that the electron transition energy per unit volume in the glide region and the orientation of glide region play critical roles in determining hardness value and hardness anisotropy for a single crystal material. We express the mathematical definition of hardness anisotropy through simple algebraic relations. The calculated Knoop hardnesses of the single crystals are in good agreement with observations. This theory, extended to polycrystalline materials by including hall-petch effect and quantum size effect, predicts that the polycrystalline diamond with low angle grain boundaries can be harder than single-crystal bulk diamond. Combining first-principles technique and the formula of hardness anisotropy the hardness of monoclinic M-carbon, orthorhombic W-carbon, Z-carbon, and T-carbon are predicted.
Taboo: Working memory and mental control in an interactive task

PubMed Central

Hansen, Whitney A.; Goldinger, Stephen D.

2014-01-01

Individual differences in working memory (WM) predict principled variation in tasks of reasoning, response time, memory, and other abilities. Theoretically, a central function of WM is keeping task-relevant information easily accessible while suppressing irrelevant information. The present experiment was a novel study of mental control, using performance in the game Taboo as a measure. We tested effects of WM capacity on several indices, including perseveration errors (repeating previous guesses or clues) and taboo errors (saying at least part of a taboo or target word). By most measures, high-span participants were superior to low-span participants: High-spans were better at guessing answers, better at encouraging correct guesses from teammates, and less likely to either repeat themselves or produce taboo clues. Differences in taboo errors occurred only in an easy control condition. The results suggest that WM capacity predicts behavior in tasks requiring mental control, extending this finding to an interactive group setting. PMID:19827699
Navier-Stokes predictions of pitch damping for axisymmetric shell using steady coning motion

NASA Technical Reports Server (NTRS)

Weinacht, Paul; Sturek, Walter B.; Schiff, Lewis B.

1991-01-01

Previous theoretical investigations have proposed that the side force and moment acting on a body of revolution in steady coning motion could be related to the pitch-damping force and moment. In the current research effort, this approach is applied to produce predictions of the pitch damping for axisymmetric shell. The flow fields about these projectiles undergoing steady coning motion are successfully computed using a parabolized Navier-Stokes computational approach which makes use of a rotating coordinate frame. The governing equations are modified to include the centrifugal and Coriolis force terms due to the rotating coordinate frame. From the computed flow field, the side moments due to coning motion, spinning motion, and combined spinning and coning motion are used to determine the pitch-damping coefficients. Computations are performed for two generic shell configurations, a secant-ogive-cylinder and a secant-ogive-cylinder-boattail.
Single Spin Asymmetries in l p(transv. pol.) --> h X processes and transverse momentum dependent factorization

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

Anselmino, Mauro; Mariaelena, Boglione; D'Alesio, Umberto

2014-06-01

Some estimates for the transverse Single Spin Asymmetry, A_N, in the inclusive processes l p(transv. Pol.) --> h X, given in a previous paper, are expanded and compared with new experimental data. The predictions are based on the Sivers distributions and the Collins fragmentation functions which fit the azimuthal asymmetries measured in Semi-Inclusive Deep Inelastic Scattering (SIDIS) processes (l p(transv. Pol.) --> l' h X). The factorisation in terms of Transverse Momentum Dependent distribution and fragmentation functions (TMD factorisation) -- i.e., the theoretical framework in which SIDIS azimuthal asymmetries are analysed -- is assumed to hold also for the inclusivemore » process l p --> h X at large P_T. The values of A_N thus obtained agree in sign and shape with the data. Some predictions are given for future experiments.« less
Prompt photon production and photon-jet correlations at the LHC

NASA Astrophysics Data System (ADS)

Klasen, Michael; Klein-Bösing, Christian; Poppenborg, Hendrik

2018-03-01

Next-to-leading order predictions matched to parton showers are compared with recent ATLAS data on isolated photon production and CMS data on associated photon and jet production in pp and pPb collisions at different centre-of-mass energies of the LHC. We find good agreement and, as expected, considerably reduced scale uncertainties compared to previous theoretical calculations. Predictions are made for the ratio of inclusive photons over decay photons R γ , an important quantity to evaluate the significance of additional photon sources, e.g. thermal radiation from a Quark-Gluon-Plasma, and for distributions in the parton momentum fraction in lead ions x Pb obs , that could be determined by ALICE, ATLAS, CMS and LHCb in ongoing analyses of photon+jet production in pPb collisions at √{s_{N N}} = 5.02 TeV. These data should have an important impact on the determination of nuclear effects such as shadowing at low x.
Predictors of level of voice in adolescent girls: ethnicity, attachment, and gender role socialization.

PubMed

Theran, Sally A

2009-09-01

The current study empirically examined predictors of level of voice (ethnicity, attachment, and gender role socialization) in a diverse sample of 108 14-year-old girls. Structural equation modeling results indicated that parental attachment predicted level of voice with authority figures, and gender role socialization predicted level of voice with authority figures and peers. Both masculinity and femininity were salient for higher levels of voice with authority figures whereas higher scores on masculinity contributed to higher levels of voice with peers. These findings suggest that, contrary to previous theoretical work, femininity itself is not a risk factor for low levels of voice. In addition, African-American girls had higher levels of voice with teachers and classmates than did Caucasian girls, and girls who were in a school with a greater concentration of ethnic minorities had higher levels of voice with peers than did girls at a school with fewer minority students.
Propagation of a radio-frequency pulsed signal over the Earth. The JOLLY programs

NASA Astrophysics Data System (ADS)

Carroll, D.; Detch, J. L.; Malik, J.

1983-07-01

The interpretation of observed radioflash/electromagnetic pulse (emp) observed signals from nuclear detonations in terms of theoretical models or extrapolation to signals expected at military systems involves correction for ground-wave propagation effects. For most applications, previously developed programs have been adequate. There have been problems when these techniques have been tried for situations in the near tangent regime where a considerable concern exists. It has been found that the problem of predicting propagation response functions in the near tangent regime has been the inconsistent derivation of the equations. Resolution of this problem has evolved into a program to better predict ground-wave propagation. The description of the method and detailed description of the programs are described for both propagation over realistic earth and sea-water paths. Results can be given in terms of amplitude and phase as a function of the frequency or as amplitude versus time, the usual Green's or resolution function.
An Improved Computational Technique for Calculating Electromagnetic Forces and Power Absorptions Generated in Spherical and Deformed Body in Levitation Melting Devices

NASA Technical Reports Server (NTRS)

Zong, Jin-Ho; Szekely, Julian; Schwartz, Elliot

1992-01-01

An improved computational technique for calculating the electromagnetic force field, the power absorption and the deformation of an electromagnetically levitated metal sample is described. The technique is based on the volume integral method, but represents a substantial refinement; the coordinate transformation employed allows the efficient treatment of a broad class of rotationally symmetrical bodies. Computed results are presented to represent the behavior of levitation melted metal samples in a multi-coil, multi-frequency levitation unit to be used in microgravity experiments. The theoretical predictions are compared with both analytical solutions and with the results or previous computational efforts for the spherical samples and the agreement has been very good. The treatment of problems involving deformed surfaces and actually predicting the deformed shape of the specimens breaks new ground and should be the major usefulness of the proposed method.
Using Latent Class Analysis to Model Temperament Types.

PubMed

Loken, Eric

2004-10-01

Mixture models are appropriate for data that arise from a set of qualitatively different subpopulations. In this study, latent class analysis was applied to observational data from a laboratory assessment of infant temperament at four months of age. The EM algorithm was used to fit the models, and the Bayesian method of posterior predictive checks was used for model selection. Results show at least three types of infant temperament, with patterns consistent with those identified by previous researchers who classified the infants using a theoretically based system. Multiple imputation of group memberships is proposed as an alternative to assigning subjects to the latent class with maximum posterior probability in order to reflect variance due to uncertainty in the parameter estimation. Latent class membership at four months of age predicted longitudinal outcomes at four years of age. The example illustrates issues relevant to all mixture models, including estimation, multi-modality, model selection, and comparisons based on the latent group indicators.
Predictability in cellular automata.

PubMed

Agapie, Alexandru; Andreica, Anca; Chira, Camelia; Giuclea, Marius

2014-01-01

Modelled as finite homogeneous Markov chains, probabilistic cellular automata with local transition probabilities in (0, 1) always posses a stationary distribution. This result alone is not very helpful when it comes to predicting the final configuration; one needs also a formula connecting the probabilities in the stationary distribution to some intrinsic feature of the lattice configuration. Previous results on the asynchronous cellular automata have showed that such feature really exists. It is the number of zero-one borders within the automaton's binary configuration. An exponential formula in the number of zero-one borders has been proved for the 1-D, 2-D and 3-D asynchronous automata with neighborhood three, five and seven, respectively. We perform computer experiments on a synchronous cellular automaton to check whether the empirical distribution obeys also that theoretical formula. The numerical results indicate a perfect fit for neighbourhood three and five, which opens the way for a rigorous proof of the formula in this new, synchronous case.
A self-categorization theory perspective on adolescent boys' sexual bullying of girls.

PubMed

Page, Elysia; Shute, Rosalyn; McLachlan, Angus

2015-02-01

This preliminary study applied Self-Categorization Theory (SCT) to the sexual bullying of high school girls by boys. Seventy-five Year 9 boys responded to vignettes portraying sexual bullying in which gender was a more or a less salient feature of the social context described. As predicted, boys were more likely to engage in sexual bullying when gender was more salient. Masculine sex role was not correlated with engagement in sexual bullying. Controlling for social desirability, pro-bullying attitude was predictive of such engagement, but only when the social context rendered gender less salient. This suggests the power of the perceived social context for determining which individual characteristics will gain expression. It is concluded that SCT is a promising avenue for advancing understanding of bullying, a field of research that has previously largely lacked a theoretical focus. © The Author(s) 2014.
Effects of the gap slope on the distribution of removal rate in Belt-MRF.

PubMed

Wang, Dekang; Hu, Haixiang; Li, Longxiang; Bai, Yang; Luo, Xiao; Xue, Donglin; Zhang, Xuejun

2017-10-30

Belt magnetorheological finishing (Belt-MRF) is a promising tool for large-optics processing. However, before using a spot, its shape should be designed and controlled by the polishing gap. Previous research revealed a remarkably nonlinear relationship between the removal function and normal pressure distribution. The pressure is nonlinearly related to the gap geometry, precluding prediction of the removal function given the polishing gap. Here, we used the concepts of gap slope and virtual ribbon to develop a model of removal profiles in Belt-MRF. Between the belt and the workpiece in the main polishing area, a gap which changes linearly along the flow direction was created using a flat-bottom magnet box. The pressure distribution and removal function were calculated. Simulations were consistent with experiments. Different removal functions, consistent with theoretical calculations, were obtained by adjusting the gap slope. This approach allows to predict removal functions in Belt-MRF.
Effect of Shock Precompression on the Critical Diameter of Liquid Explosives

NASA Astrophysics Data System (ADS)

Petel, Oren E.; Higgins, Andrew J.; Yoshinaka, Akio C.; Zhang, Fan

2006-07-01

The critical diameter of both ambient and shock-precompressed liquid nitromethane confined in PVC tubing are measured experimentally. The experiment was conducted for both amine sensitized and neat NM. In the precompression experiments, the explosive is compressed by a strong shock wave generated by a donor explosive and reflected from a high impedance anvil prior to being detonated by a secondary event. The pressures reached in the test sections prior to detonation propagation was approximately 7 and 8 GPa for amine sensitized and neat NM respectively. The results demonstrated a 30% - 65% decrease in the critical diameter for the shock-compressed explosives. This critical diameter decrease is observed despite a significant decrease in the predicted Von Neumann temperature of the detonation in the precompressed explosive. The results are discussed in the context of theoretical predictions based on thermal ignition theory and previous critical diameter measurements.

Prediction, Measurement, and Suppression of High Temperature Supersonic Jet Noise

NASA Technical Reports Server (NTRS)

Seiner, John M.; Bhat, T. R. S.; Jansen, Bernard J.

1999-01-01

The photograph in figure 1 displays a water cooled round convergent-divergent supersonic nozzle operating slightly overexpanded near 2460 F. The nozzle is designed to produce shock free flow near this temperature at Mach 2. The exit diameter of this nozzle is 3.5 inches. This nozzle is used in the present study to establish properties of the sound field associated with high temperature supersonic jets operating fully pressure balanced (i.e. shock free) and to evaluate capability of the compressible Rayleigh model to account for principle physical features of the observed sound emission. The experiment is conducted statically (i.e. M(sub f) = 0.) in the NASA/LaRC Jet Noise Laboratory. Both aerodynamic and acoustic measurements are obtained in this study along with numerical plume simulation and theoretical prediction of jet noise. Detailed results from this study are reported previously by Seiner, Ponton, Jansen, and Lagen.
THE SECOND DEMOGRAPHIC TRANSITION THEORY: A Review and Appraisal.

PubMed

Zaidi, Batool; Morgan, S Philip

2017-07-01

References to the second demographic transition (SDT) concept/theoretical framework have increased dramatically in the last two decades. The SDT predicts unilinear change toward very low fertility and a diversity of union and family types. The primary driver of these changes is a powerful, inevitable and irreversible shift in attitudes and norms in the direction of greater individual freedom and self-actualization. First, we describe the origin of this framework and its evolution over time. Second, we review the empirical fit of the framework to major changes in demographic and family behavior in the U.S., the West, and beyond. As has been the case for other unilinear, developmental theories of demographic/family change, the SDT failed to predict many contemporary patterns of change/difference. Finally, we review previous critiques and identify fundamental weaknesses of this perspective, and provide brief comparisons to selected alternative approaches.
Arsenic removal from water employing a combined system: photooxidation and adsorption.

PubMed

Lescano, Maia; Zalazar, Cristina; Brandi, Rodolfo

2015-03-01

A combined system employing photochemical oxidation (UV/H2O2) and adsorption for arsenic removal from water was designed and evaluated. In this work, a bench-scale photochemical annular reactor was developed being connected alternately to a pair of adsorption columns filled with titanium dioxide (TiO2) and granular ferric hydroxide (GFH). The experiences were performed by varying the relation of As concentration (As (III)/As (V) weight ratio) at constant hydrogen peroxide concentration and incident radiation. Experimental oxidation results were compared with theoretical predictions using an intrinsic kinetic model previously obtained. In addition, the effectiveness of the process was evaluated using a groundwater sample. The mathematical model of the entire system was developed. It could be used as an effective tool for the design and prediction of the behaviour of these types of systems. The combined technology is efficient and promising for arsenic removal to small and medium scale.
THE SECOND DEMOGRAPHIC TRANSITION THEORY: A Review and Appraisal

PubMed Central

Zaidi, Batool; Morgan, S. Philip

2017-01-01

References to the second demographic transition (SDT) concept/theoretical framework have increased dramatically in the last two decades. The SDT predicts unilinear change toward very low fertility and a diversity of union and family types. The primary driver of these changes is a powerful, inevitable and irreversible shift in attitudes and norms in the direction of greater individual freedom and self-actualization. First, we describe the origin of this framework and its evolution over time. Second, we review the empirical fit of the framework to major changes in demographic and family behavior in the U.S., the West, and beyond. As has been the case for other unilinear, developmental theories of demographic/family change, the SDT failed to predict many contemporary patterns of change/difference. Finally, we review previous critiques and identify fundamental weaknesses of this perspective, and provide brief comparisons to selected alternative approaches. PMID:28798523
Strong-coupling superconductivity induced by calcium intercalation in bilayer transition-metal dichalcogenides

NASA Astrophysics Data System (ADS)

Szczȩśniak, R.; Durajski, A. P.; Jarosik, M. W.

2018-04-01

We theoretically investigate the possibility of achieving a superconducting state in transition-metal dichalcogenide bilayers through intercalation, a process previously and widely used to achieve metallization and superconducting states in novel superconductors. For the Ca-intercalated bilayers MoS2 and WS2, we find that the superconducting state is characterized by an electron-phonon coupling constant larger than 1.0 and a superconducting critical temperature of 13.3 and 9.3 K, respectively. These results are superior to other predicted or experimentally observed two-dimensional conventional superconductors and suggest that the investigated materials may be good candidates for nanoscale superconductors. More interestingly, we proved that the obtained thermodynamic properties go beyond the predictions of the mean-field Bardeen-Cooper-Schrieffer approximation and that the calculations conducted within the framework of the strong-coupling Eliashberg theory should be treated as those that yield quantitative results.
Nuclear and particle physics in the early universe

NASA Technical Reports Server (NTRS)

Schramm, D. N.

1981-01-01

Basic principles and implications of Big Bang cosmology are reviewed, noting the physical evidence of a previous universe temperature of 10,000 K and theoretical arguments such as grand unification decoupling indicating a primal temperature of 10 to the 15th eV. The Planck time of 10 to the -43rd sec after the Big Bang is set as the limit before which gravity was quantized and nothing is known. Gauge theories of elementary particle physics are reviewed for successful predictions of similarity in weak and electromagnetic interactions and quantum chromodynamic predictions for strong interactions. The large number of photons in the universe relative to the baryons is considered and the grand unified theories are cited as showing the existence of baryon nonconservation as an explanation. Further attention is given to quark-hadron phase transition, the decoupling for the weak interaction and relic neutrinos, and Big Bang nucleosynthesis.
Two-photon coincident emission from thick targets for 70-keV incident electrons

NASA Astrophysics Data System (ADS)

Liu, J.; Kahler, D. L.; Quarles, C. A.

1993-04-01

Two-photon coincidence yields have been measured in thick targets of C, Al, Ag, and Ta for 70 keV incident electrons and photons radiated at +/-45° to the incident beam. A theoretical model, which is more rigorous, has been developed to simulate the two-photon processes of coherent thick-target double bremsstrahlung (TTDB) and the incoherent emission of two single-bremsstrahlung (SBSB) photons in a thick-target environment. The model is based on an integration of the thin-target cross sections over the target thickness taking into account electron energy loss, electron backscattering, and photon attenuation. It predicts a yield that is much lower than that of the previous model. The prediction of the model fits the present experimental data well by adjusting the relative weight of the two competing processes, and we find that TTDB dominates at low Z and incoherent SBSB dominates at higher Z.
Weapon Possession Among College Students: A Study From a Midwestern University.

PubMed

Jang, Hyunseok; Kang, Ji Hyon; Dierenfeldt, Rick; Lindsteadt, Greg

2015-10-01

Weapon possession on college campuses causes great concern, but there remains a lack of research examining the determinants of this phenomenon. Previous studies addressing weapon possession have primarily focused on either K-12 or the general adult population. Unlike previous studies, this study examined the weapon possession among college students using data collected from a mid-sized university in Missouri, and 451 students participated. Weapon possession and other theoretical factors were measured through the self-administered survey. Logistical regression analysis revealed that weapon socialization was the most significant factor in predicting student weapon carrying. Also, gender and age were significant factors in explaining campus-based weapon possession. This research has a limitation with generalizability because the data were collected from only a single university with convenient sampling. Future studies need to cover a wider range of college students from a variety of different universities with random sampling. © The Author(s) 2014.
Colloidal crystals with diamond symmetry at optical lengthscales

NASA Astrophysics Data System (ADS)

Wang, Yifan; Jenkins, Ian C.; McGinley, James T.; Sinno, Talid; Crocker, John C.

2017-02-01

Future optical materials promise to do for photonics what semiconductors did for electronics, but the challenge has long been in creating the structure they require--a regular, three-dimensional array of transparent microspheres arranged like the atoms in a diamond crystal. Here we demonstrate a simple approach for spontaneously growing double-diamond (or B32) crystals that contain a suitable diamond structure, using DNA to direct the self-assembly process. While diamond symmetry crystals have been grown from much smaller nanoparticles, none of those previous methods suffice for the larger particles needed for photonic applications, whose size must be comparable to the wavelength of visible light. Intriguingly, the crystals we observe do not readily form in previously validated simulations; nor have they been predicted theoretically. This finding suggests that other unexpected microstructures may be accessible using this approach and bodes well for future efforts to inexpensively mass-produce metamaterials for an array of photonic applications.
Burning rate for steel-cased, pressed binderless HMX

NASA Technical Reports Server (NTRS)

Fifer, R. A.; Cole, J. E.

1980-01-01

The burning behavior of pressed binderless HMX laterally confined in 6.4 mm i.d. steel cases was measured over the pressure range 1.45 to 338 MPa in a constant pressure strand burner. The measured regression rates are compared to those reported previously for unconfined samples. It is shown that lateral confinement results in a several-fold decrease in the regression rate for the coarse particle size HMX above the transition to super fast regression. For class E samples, confinement shifts the transition to super fast regression from low pressure to high pressure. These results are interpreted in terms of the previously proposed progressive deconsolidation mechanism. Preliminary holographic photography and closed bomb tests are also described. Theoretical one dimensional modeling calculations were carried out to predict the expected flame height (particle burn out distance) as a function of particle size and pressure for binderless HMX burning by a progressive deconsolidation mechanism.
Loss of life expectancy derived from a standardized mortality ratio in Denmark, Finland, Norway and Sweden.

PubMed

Skriver, Mette Vinther; Væth, Michael; Støvring, Henrik

2018-01-01

The standardized mortality ratio (SMR) is a widely used measure. A recent methodological study provided an accurate approximate relationship between an SMR and difference in lifetime expectancies. This study examines the usefulness of the theoretical relationship, when comparing historic mortality data in four Scandinavian populations. For Denmark, Finland, Norway and Sweden, data on mortality every fifth year in the period 1950 to 2010 were obtained. Using 1980 as the reference year, SMRs and difference in life expectancy were calculated. The assumptions behind the theoretical relationship were examined graphically. The theoretical relationship predicts a linear association with a slope, [Formula: see text], between log(SMR) and difference in life expectancies, and the theoretical prediction and calculated differences in lifetime expectancies were compared. We examined the linear association both for life expectancy at birth and at age 30. All analyses were done for females, males and the total population. The approximate relationship provided accurate predictions of actual differences in lifetime expectancies. The accuracy of the predictions was better when age was restricted to above 30, and improved if the changes in mortality rate were close to a proportional change. Slopes of the linear relationship were generally around 9 for females and 10 for males. The theoretically derived relationship between SMR and difference in life expectancies provides an accurate prediction for comparing populations with approximately proportional differences in mortality, and was relatively robust. The relationship may provide a useful prediction of differences in lifetime expectancies, which can be more readily communicated and understood.
Proceedings of the High Energy Density Matter (HEDM) Contractor’s Conference Held in Woods Hole, Massachusetts on 6-8 June 1993

DTIC Science & Technology

1993-11-01

SRI International 75 "The Dodecahedral N20 Molecule: Some Theoretical Predictions" Henry F. Schaefer II1, University of Georgia 94 "Theoretical...and P20 Molecules: Some Theoretical Predictions," Henry Schaefer, University of Georgia 2 -2:30 c Investigations of the Structure and Dynamics of...Department of Chemistry APD Cryogenics, Inc. University of California, Berkeley 1833 Vultee Street Berkeley, CA 94708 Allentown, PA 18103 8 Henry F
Alternative Interpretation of Low-Energy Nuclear Reaction Processes with Deuterated Metals Based on the Bose-Einstein Condensation Mechanism

NASA Astrophysics Data System (ADS)

Kim, Yeong E.; Passell, Thomas O.

2006-02-01

Recently, a generalization of the Bose-Einstein condensation (BEC) mechanism has been made to a ground-state mixture of two different species of positively charged bosons in harmonic traps. The theory has been used to describe (D + Li) reactions in the low energy nuclear reaction (LENR) processes in condensed matter and predicts that the (D + Li) reaction rates can be larger than (D + D) reaction rates by as much as a factor of ~50, implying that (D + Li) reactions may be occuring in addition to the (D + D) reactions. A survey of the existing data from LENR experiments is carried out to check the validity of the theoretical prediction. We conclude that there is compelling experimental evidence which support the theoretical prediction. New experimental tests of the theoretical prediction are suggested.
Aircraft noise prediction program theoretical manual: Rotorcraft System Noise Prediction System (ROTONET), part 4

NASA Technical Reports Server (NTRS)

Weir, Donald S.; Jumper, Stephen J.; Burley, Casey L.; Golub, Robert A.

1995-01-01

This document describes the theoretical methods used in the rotorcraft noise prediction system (ROTONET), which is a part of the NASA Aircraft Noise Prediction Program (ANOPP). The ANOPP code consists of an executive, database manager, and prediction modules for jet engine, propeller, and rotor noise. The ROTONET subsystem contains modules for the prediction of rotor airloads and performance with momentum theory and prescribed wake aerodynamics, rotor tone noise with compact chordwise and full-surface solutions to the Ffowcs-Williams-Hawkings equations, semiempirical airfoil broadband noise, and turbulence ingestion broadband noise. Flight dynamics, atmosphere propagation, and noise metric calculations are covered in NASA TM-83199, Parts 1, 2, and 3.
Student Buy-In Toward Formative Assessments: The Influence of Student Factors and Importance for Course Success †

PubMed Central

Brazeal, Kathleen R.; Couch, Brian A.

2017-01-01

Formative assessment (FA) techniques, such as pre-class assignments, in-class activities, and post-class homework, have been shown to improve student learning. While many students find these techniques beneficial, some students may not understand how they support learning or may resist their implementation. Improving our understanding of FA buy-in has important implications, since buy-in can potentially affect whether students fully engage with and learn from FAs. We investigated FAs in 12 undergraduate biology courses to understand which student characteristics influenced buy-in toward FAs and whether FA buy-in predicted course success. We administered a mid-semester survey that probed student perceptions toward several different FA types, including activities occurring before, during, and after class. The survey included closed-ended questions aligned with a theoretical framework outlining key FA objectives. We used factor analysis to calculate an overall buy-in score for each student and general linear models to determine whether certain characteristics were associated with buy-in and whether buy-in predicted exam scores and course grades. We found that unfixed student qualities, such as perceptions, behaviors, and beliefs, consistently predicted FA buy-in, while fixed characteristics, including demographics, previous experiences, and incoming performance metrics, had more limited effects. Importantly, we found that higher buy-in toward most FA types predicted higher exam scores and course grades, even when controlling for demographic characteristics and previous academic performance. We further discuss steps that instructors can take to maximize student buy-in toward FAs. PMID:28512523
Tryptophan depletion disinhibits punishment but not reward prediction: implications for resilience.

PubMed

Robinson, Oliver J; Cools, Roshan; Sahakian, Barbara J

2012-01-01

We have previously shown that tryptophan depletion enhances punishment but not reward prediction (Cools et al. in Neuropsychopharmacology 33:2291-2299, 2008b). This provided evidence for a valence-specific role of serotonin (which declines under depleted tryptophan) in aversive processing. Recent theoretical (Dayan and Huys in PLoS Comput Biol 4:e4, 2008) and experimental (Crockett et al. in J Neurosci 29:11993-11999, 2009) approaches have, however, further specified this role by showing that serotonin is critical for punishment-induced inhibition. We sought to examine the role of serotonin in punishment-induced inhibition. We also examined the impact of induced mood on this effect to assess whether effects of tryptophan depletion on affective inhibition are moderated by mood. Healthy females consumed a balanced amino acid mixture with (N = 20) or without (N = 21) the serotonin precursor tryptophan. Each subject completed either negative or neutral mood induction. All subjects completed the reward and punishment reversal learning task adopted in the previous study. We demonstrate a punishment prediction impairment in individuals who consumed tryptophan which was absent in individuals who were depleted of tryptophan. This effect was impervious to mood state. Our results suggest that serotonin promotes the inhibition of responses to punishing outcomes. This may lead to reduced punishment prediction accuracy in the presence of tryptophan and may contribute to resilience to affective disorders. Reduction of serotonin via tryptophan depletion then removes this inhibition. As such, we highlight a mechanism by which reduced serotonin can contribute to disorders of impulsivity and compulsivity as well as disorders of emotion.
Meteoroid stream of 12P/Pons-Brooks, December κ-Draconids, and Northern June Aquilids

NASA Astrophysics Data System (ADS)

Tomko, D.; Neslušan, L.

2016-08-01

Context. It was found that some parent bodies of meteoroid streams can be related to more than one meteor shower observable in the atmosphere of Earth. The orbits of the members of such showers must evolve to the locations, which are far from the orbit of their parent, to cross the orbit of the Earth. An extensive simulation of the stream evolution is necessary to reveal such a complex of showers of the given parent body. Aims: We continue the investigation of the evolution of the theoretical stream originating from the comet 12P/Pons-Brooks to understand its meteor-shower complex in more detail. Methods: We model a theoretical comet stream assuming an ejection of 10 000 particles, representing the meteoroids, from its nucleus in several past perihelion passages. Adding to our previous work, here we also consider the Poynting-Robertson drag in our study of the particles' dynamics. The orbits currently occurring in a vicinity of the Earth's orbit are used to predict the showers associated with comet 12P. Results: Two nighttime and two daytime showers are predicted to originate from 12P. The showers must consist of only relatively large particles, which are influenced to only a small extent by the Poynting-Robertson drag, because in this case, it deflects the particles from the collisional course with the Earth when efficient. The shower predicted to have the most particles is the nighttime shower, which can clearly be identified to the December κ-Draconids, No. 336 in the IAU MDC list. Another predicted nighttime shower has no counterpart in the considered observational data. Some characteristics of this shower are vaguely similar to those of Northern June Aquilids, No. 164. The observed counterparts of two predicted daytime showers were not found in the observational data we used or in the IAU MDC list.
Validating an instrument for selecting interventions to change physician practice patterns: a Michigan Consortium for Family Practice Research study.

PubMed

Green, Lee A; Gorenflo, Daniel W; Wyszewianski, Leon

2002-11-01

The goal of this study was to develop a psychometric instrument that classified physiciansamprsquo response styles to new information as seekers, receptives, traditionalists, or pragmatists. This classification was based on specific combinations of 3 scales: (a) belief in evidence vs experience as the basis of knowledge, (b) willingness to diverge from common or previous practice, and (c) sensitivity to pragmatic concerns of practice. The instrument will help focus efforts to change practice more accurately. This was a cross-sectional study of physician responses to a psychometric instrument. Paper-and-pencil survey forms were distributed to 3 waves of physicians, with revision for improved internal consistency at each iteration. Participants were 1393 primary care physicians at continuing education events in the Midwest or at primary care clinic sites in the Veteransamprsquo Health Administration system. Internal consistency was measured by factor analysis with orthogonal rotation and Cronbachamprsquos alpha. A total of 1287 usable instruments were returned (106, 1120, and 61 in the 3 iterations, respectively), representing approximately three fourths of distributed forms. Final scale internal consistencies were a = 0.79, b = 0.74, and c = 0.68. The patterns of scores on the 3 scales were consistent with the predictions of the theoretical scheme of physician types. The "seeker" type was the rarest, at fewer than 3%. It is possible to reliably classify physicians into categories that a theoretical framework predicts will respond differently to different interventions for implementing guidelines and translating research findings into practice. The next step is to demonstrate that the classification predicts physician practice behavior.
New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range.

PubMed

Tyuterev, Vladimir G; Kochanov, Roman V; Tashkun, Sergey A; Holka, Filip; Szalay, Péter G

2013-10-07

An accurate description of the complicated shape of the potential energy surface (PES) and that of the highly excited vibration states is of crucial importance for various unsolved issues in the spectroscopy and dynamics of ozone and remains a challenge for the theory. In this work a new analytical representation is proposed for the PES of the ground electronic state of the ozone molecule in the range covering the main potential well and the transition state towards the dissociation. This model accounts for particular features specific to the ozone PES for large variations of nuclear displacements along the minimum energy path. The impact of the shape of the PES near the transition state (existence of the "reef structure") on vibration energy levels was studied for the first time. The major purpose of this work was to provide accurate theoretical predictions for ozone vibrational band centres at the energy range near the dissociation threshold, which would be helpful for understanding the very complicated high-resolution spectra and its analyses currently in progress. Extended ab initio electronic structure calculations were carried out enabling the determination of the parameters of a minimum energy path PES model resulting in a new set of theoretical vibrational levels of ozone. A comparison with recent high-resolution spectroscopic data on the vibrational levels gives the root-mean-square deviations below 1 cm(-1) for ozone band centres up to 90% of the dissociation energy. New ab initio vibrational predictions represent a significant improvement with respect to all previously available calculations.
Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

NASA Astrophysics Data System (ADS)

Gnutek, P.; Y Yang, Z.; Rudowicz, C.

2009-11-01

The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g_{\\parallel } and g_{\\perp } , are theoretically investigated for the FeK3+-OI2- center in KTaO3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the FeK3+-OI2- defect center in KTaO3. This modeling reveals that the off-center displacement of the Fe3+ ions, Δ1(Fe3+), combined with an inward relaxation of the nearest oxygen ligands, Δ2(O2-), and the existence of the interstitial oxygen OI2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the FeK3+-OI2- center in KTaO3. Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ1(Fe3+) and Δ2(O2-) as well as the possible location of OI2- ligands around Fe3+ ions in KTaO3. The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g_{\\parallel } and g_{\\perp } and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing in the literature indicates considerable advantages of our method and presumably higher reliability of our predictions.

Imaging systems level consolidation of novel associate memories: A longitudinal neuroimaging study

PubMed Central

Smith, Jason F; Alexander, Gene E; Chen, Kewei; Husain, Fatima T; Kim, Jieun; Pajor, Nathan; Horwitz, Barry

2010-01-01

Previously, a standard theory of systems level memory consolidation was developed to describe how memory recall becomes independent of the medial temporal memory system. More recently, an extended consolidation theory was proposed that predicts seven changes in regional neural activity and inter-regional functional connectivity. Using longitudinal event related functional magnetic resonance imaging of an associate memory task, we simultaneously tested all predictions and additionally tested for consolidation related changes in recall of associate memories at a sub-trial temporal resolution, analyzing cue, delay and target periods of each trial separately. Results consistent with the theoretical predictions were observed though two inconsistent results were also obtained. In particular, while recall-related delay period activity decreased with consolidation as predicted, visual cue activity increased for consolidated memories. Though the extended theory of memory consolidation is largely supported by our study, these results suggest the extended theory needs further refinement and the medial temporal memory system has multiple, temporally distinct roles in associate memory recall. Neuroimaging analysis at a sub-trial temporal resolution, as used here, may further clarify the role of the hippocampal complex in memory consolidation. PMID:19948227
Scaling of swim speed and stroke frequency in geometrically similar penguins: they swim optimally to minimize cost of transport

PubMed Central

Sato, Katsufumi; Shiomi, Kozue; Watanabe, Yuuki; Watanuki, Yutaka; Takahashi, Akinori; Ponganis, Paul J.

2010-01-01

It has been predicted that geometrically similar animals would swim at the same speed with stroke frequency scaling with mass−1/3. In the present study, morphological and behavioural data obtained from free-ranging penguins (seven species) were compared. Morphological measurements support the geometrical similarity. However, cruising speeds of 1.8–2.3 m s−1 were significantly related to mass0.08 and stroke frequencies were proportional to mass−0.29. These scaling relationships do not agree with the previous predictions for geometrically similar animals. We propose a theoretical model, considering metabolic cost, work against mechanical forces (drag and buoyancy), pitch angle and dive depth. This new model predicts that: (i) the optimal swim speed, which minimizes the energy cost of transport, is proportional to (basal metabolic rate/drag)1/3 independent of buoyancy, pitch angle and dive depth; (ii) the optimal speed is related to mass0.05; and (iii) stroke frequency is proportional to mass−0.28. The observed scaling relationships of penguins support these predictions, which suggest that breath-hold divers swam optimally to minimize the cost of transport, including mechanical and metabolic energy during dive. PMID:19906666
Confocal arthroscopy-based patient-specific constitutive models of cartilaginous tissues - II: prediction of reaction force history of meniscal cartilage specimens.

PubMed

Taylor, Zeike A; Kirk, Thomas B; Miller, Karol

2007-10-01

The theoretical framework developed in a companion paper (Part I) is used to derive estimates of mechanical response of two meniscal cartilage specimens. The previously developed framework consisted of a constitutive model capable of incorporating confocal image-derived tissue microstructural data. In the present paper (Part II) fibre and matrix constitutive parameters are first estimated from mechanical testing of a batch of specimens similar to, but independent from those under consideration. Image analysis techniques which allow estimation of tissue microstructural parameters form confocal images are presented. The constitutive model and image-derived structural parameters are then used to predict the reaction force history of the two meniscal specimens subjected to partially confined compression. The predictions are made on the basis of the specimens' individual structural condition as assessed by confocal microscopy and involve no tuning of material parameters. Although the model does not reproduce all features of the experimental curves, as an unfitted estimate of mechanical response the prediction is quite accurate. In light of the obtained results it is judged that more general non-invasive estimation of tissue mechanical properties is possible using the developed framework.
Performance of Oil Pumping Rings: An Analytical and Experimental Study

NASA Technical Reports Server (NTRS)

Eusepi, M. W.; Walowit, J. A.; Pinkus, O.; Holmes, P.

1986-01-01

A steady-state design computer program was developed to predict the performance of pumping rings as functions of geometry, applied loading, speed, ring modulus, and fluid viscosity. Additional analyses were developed to predict transient behavior of the ring and the effects of temperature rises occurring in the hydrodynamic film between the ring and shaft. The analysis was initially compared with previous experimental data and then used to design additional rings for further testing. Tests were performed with Rulon, carbon-graphite, and babbit rings. The design analysis was used to size all of the rings and to select the ranges of clearances, thickness, and loading. Although full quantitative agreement was lacking, relative agreement existed in that rings that were predicted to perform well theoretically, generally performed well experimentally. Some causes for discrepanices between theory and experiment are believed to be due to starvation, leakage past the secondary seal at high pressures, and uncertainties in the small clearances and local inlet temperatures to the pumping ring. A separate preliminary analysis was performed for a pumping Leningrader seal. This anlaysis can be used to predict the film thickness and flow rate thr ough the seal as a function of pressure, speed, loading, and geometry.
The stopping power and energy straggling of heavy ions in silicon nitride and polypropylene

NASA Astrophysics Data System (ADS)

Mikšová, R.; Hnatowicz, V.; Macková, A.; Malinský, P.; Slepička, P.

2015-07-01

The stopping power and energy straggling of 12C3+ and 16O3+ ions with energies between 4.5 and 7.8 MeV in a 0.166-μm-thin silicon nitride and in 4-μm-thin polypropylene foils were measured by means of an indirect transmission method using a half-covered PIPS detector. Ions scattered from a thin gold layer under a scattering angle of 150° were used. The energy spectra of back-scattered and decelerated ions were registered and evaluated simultaneously. The measured stopping powers were compared with the theoretical predictions simulated by SRIM-2008 and MSTAR codes. SRIM prediction of energy stopping is reasonably close to the experimentally obtained values comparing to MSTAR values. Better agreement between experimental and predicted data was observed for C3+ ion energy losses comparing to O3+ ions. The experimental data from Paul's database and our previous experimental data were also discussed. The obtained experimental energy-straggling data were compared to those calculated by using Bohr's, Yang's models etc. The predictions by Yang are in good agreement with our experiment within a frame of uncertainty of 25%.
Fear and Loving in Las Vegas: Evolution, Emotion, and Persuasion

PubMed Central

Griskevicius, Vladas; Goldstein, Noah J.; Mortensen, Chad R.; Sundie, Jill M.; Cialdini, Robert B.; Kenrick, Douglas T.

2009-01-01

How do arousal-inducing contexts, such as frightening or romantic television programs, influence the effectiveness of basic persuasion heuristics? Different predictions are made by three theoretical models: A general arousal model predicts that arousal should increase effectiveness of heuristics; an affective valence model predicts that effectiveness should depend on whether the context elicits positive or negative affect; an evolutionary model predicts that persuasiveness should depend on both the specific emotion that is elicited and the content of the particular heuristic. Three experiments examined how fear-inducing versus romantic contexts influenced the effectiveness of two widely used heuristics—social proof (e.g., “most popular”) and scarcity (e.g., “limited edition”). Results supported predictions from an evolutionary model, showing that fear can lead scarcity appeals to be counter-persuasive, and that romantic desire can lead social proof appeals to be counter-persuasive. The findings highlight how an evolutionary theoretical approach can lead to novel theoretical and practical marketing insights. PMID:19727416
High-level theoretical characterization of the vinoxy radical (•CH2CHO) + O2 reaction

NASA Astrophysics Data System (ADS)

Weidman, Jared D.; Allen, Ryan T.; Moore, Kevin B.; Schaefer, Henry F.

2018-05-01

Numerous processes in atmospheric and combustion chemistry produce the vinoxy radical (•CH2CHO). To understand the fate of this radical and to provide reliable energies needed for kinetic modeling of such processes, we have examined its reaction with O2 using highly reliable theoretical methods. Utilizing the focal point approach, the energetics of this reaction and subsequent reactions were obtained using coupled-cluster theory with single, double, and perturbative triple excitations [CCSD(T)] extrapolated to the complete basis set limit. These extrapolated energies were appended with several corrections including a treatment of full triples and connected quadruple excitations, i.e., CCSDT(Q). In addition, this study models the initial vinoxy radical + O2 reaction for the first time with multireference methods. We predict a barrier for this reaction of approximately 0.4 kcal mol-1. This result agrees with experimental findings but is in disagreement with previous theoretical studies. The vinoxy radical + O2 reaction produces a 2-oxoethylperoxy radical which can undergo a number of unimolecular reactions. Abstraction of a β-hydrogen (a 1,4-hydrogen shift) and dissociation back to reactants are predicted to be competitive to each other due to their similar barriers of 21.2 and 22.3 kcal mol-1, respectively. The minimum-energy β-hydrogen abstraction pathway produces a hydroperoxy radical (QOOH) that eventually decomposes to formaldehyde, CO, and •OH. Two other unimolecular reactions of the peroxy radical are α-hydrogen abstraction (38.7 kcal mol-1 barrier) and HO2• elimination (43.5 kcal mol-1 barrier). These pathways lead to glyoxal + •OH and ketene + HO2• formation, respectively, but they are expected to be uncompetitive due to their high barriers.
Designing added functions in engineered cementitious composites

NASA Astrophysics Data System (ADS)

Yang, En-Hua

In this dissertation, a new and systematic material design approach is developed for ECC with added functions through material microstructures linkage to composite macroscopic behavior. The thesis research embodies theoretical development by building on previous ECC micromechanical models, and experimental investigations into three specific new versions of ECC with added functions aimed at addressing societal demands of our built infrastructure. Specifically, the theoretical study includes three important ECC modeling elements: Steady-state crack propagation analyses and simulation, predictive accuracy of the fiber bridging constitutive model, and development of the rate-dependent strain-hardening criteria. The first element establishes the steady-state cracking criterion as a fundamental requirement for multiple cracking behavior in brittle matrix composites. The second element improves the accuracy of crack-width prediction in ECC. The third element establishes the micromechanics basis for impact-resistant ECC design. Three new ECCs with added functions were developed and experimentally verified in this thesis research through the enhanced theoretical framework. A green ECC incorporating a large volume of industrial waste was demonstrated to possess reduced crack width and drying shrinkage. The self-healing ECC designed with tight crack width was demonstrated to recover transport and mechanical properties after microcrack damage when exposed to wet and dry cycles. The impact-resistant ECC was demonstrated to retain tensile ductility with increased strength under moderately high strain-rate loading. These new versions of ECC with added functions are expected to contribute greatly to enhancing the sustainability, durability, and safety of civil infrastructure built with ECC. This research establishes the effectiveness of micromechanics-based design and material ingredient tailoring for ECC with added new attributes but without losing its basic tensile ductile characteristics.
Experimental cosmic statistics - I. Variance

NASA Astrophysics Data System (ADS)

Colombi, Stéphane; Szapudi, István; Jenkins, Adrian; Colberg, Jörg

2000-04-01

Counts-in-cells are measured in the τCDM Virgo Hubble Volume simulation. This large N-body experiment has 109 particles in a cubic box of size 2000h-1Mpc. The unprecedented combination of size and resolution allows, for the first time, a realistic numerical analysis of the cosmic errors and cosmic correlations of statistics related to counts-in-cells measurements, such as the probability distribution function PN itself, its factorial moments Fk and the related cumulants ψ and SNs. These statistics are extracted from the whole simulation cube, as well as from 4096 subcubes of size 125h-1Mpc, each representing a virtual random realization of the local universe. The measurements and their scatter over the subvolumes are compared to the theoretical predictions of Colombi, Bouchet & Schaeffer for P0, and of Szapudi & Colombi and Szapudi, Colombi & Bernardeau for the factorial moments and the cumulants. The general behaviour of experimental variance and cross-correlations as functions of scale and order is well described by theoretical predictions, with a few per cent accuracy in the weakly non-linear regime for the cosmic error on factorial moments. On highly non-linear scales, however, all variants of the hierarchical model used by SC and SCB to describe clustering appear to become increasingly approximate, which leads to a slight overestimation of the error, by about a factor of two in the worst case. Because of the needed supplementary perturbative approach, the theory is less accurate for non-linear estimators, such as cumulants, than for factorial moments. The cosmic bias is evaluated as well, and, in agreement with SCB, is found to be insignificant compared with the cosmic variance in all regimes investigated. While higher order statistics were previously evaluated in several simulations, this work presents textbook quality measurements of SNs, 3<=N<=10, in an unprecedented dynamic range of 0.05 <~ ψ <~ 50. In the weakly non-linear regime the results confirm previous findings and agree remarkably well with perturbation theory predictions including the one-loop corrections based on spherical collapse by Fosalba & Gaztañaga. Extended perturbation theory is confirmed on all scales.
Predicting Child Abuse Potential: An Empirical Investigation of Two Theoretical Frameworks

ERIC Educational Resources Information Center

Begle, Angela Moreland; Dumas, Jean E.; Hanson, Rochelle F.

2010-01-01

This study investigated two theoretical risk models predicting child maltreatment potential: (a) Belsky's (1993) developmental-ecological model and (b) the cumulative risk model in a sample of 610 caregivers (49% African American, 46% European American; 53% single) with a child between 3 and 6 years old. Results extend the literature by using a…
Excimer lasers

NASA Technical Reports Server (NTRS)

Palmer, A. J.; Hess, L. D.; Stephens, R. R.

1976-01-01

A theoretical and experimental investigation into the possibility of achieving CW discharge pumped excimer laser oscillation is reported. Detailed theoretical modeling of capillary discharge pumping of the XeF and KXe and K2 excimer systems was carried out which predicted the required discharge parameters for reaching laser threshold on these systems. Capillary discharge pumping of the XeF excimer system was investigated experimentally. The experiments revealed a lower excimer level population density than predicted theoretically by about an order of magnitude. The experiments also revealed a fluorine consumption problem in the discharge in agreement with theory.
High-pressure synthesis of predicted oxynitride perovskite: Yttrium Silicon Oxynitride (YSiO2N)

NASA Astrophysics Data System (ADS)

Ahart, Muhtar; Somayazulu, M.; Vadapoo, Rajasekarakumar; Cohen, R. E.

We synthesized the previously predicted polar oxynitride perovskite in a diamond anvil cell with laser heating. YSiO2N was predicted to have the polar P4mm structure with an effective spontaneous polarization of 130 μC/cm2. A mixture of Yttrium nitride (YN) and amorphous Silicon dioxide (SiO2) were loaded into a diamond anvil cell and laser heated at or above 1200 C at 12 GPa. The run products were investigated by x-ray diffraction, Raman spectroscopy, and second harmonic generation, for their phase and structural properties. The x-ray diffraction pattern (a = 3.235 Å, c = 4.485 Å) shows the phase formation of YSiO2N and matches with the diffraction pattern derived from the first-principle predicted lattice parameters. However, minor unknown peaks are on the diffraction pattern indicating of the co-existence of other unknown phases. Further study of Raman spectroscopy observes the theoretically predicted modes, and second harmonic generation shows strong non-linear optical signal, which confirms the polar properties of YSiO2N. This work is supported by ONR Grants N00014-12-1-1038 and N00014-14-1-0561, by the ERC Advanced Grant ToMCaT.
Ignoring small predictable profits and losses: a new approach for measuring incentives for cream skimming.

PubMed

van Barneveld, E M; Lamers, L M; van Vliet, R C; van de Ven, W P

2000-02-01

Under inadequate capitation formulae competing health insurers have an incentive for cream skimming, i.e., the selection of enrollees whom the insurer expects to be profitable. When evaluating different capitation formulae, previous studies used various indicators of incentives for cream skimming. These conventional indicators are based on all actual profits and losses or on all predictable profits and losses. For the latter type of indicators, this paper proposes, as a new approach, to ignore the small predictable profits and losses. We assume that this new approach provides a better indication of the size of the cream skimming problem than the conventional one, because an insurer has to take into account its costs of cream skimming and the (statistical) uncertainties about the net benefits of cream skimming. Both approaches are applied in theoretical and empirical analyses. The results show that, if our assumption is right, the problem of cream skimming is overestimated by the conventional ways of measuring incentives for cream skimming, especially in the case of relatively good capitation formulae.
Observing golden-mean universality class in the scaling of thermal transport.

PubMed

Xiong, Daxing

2018-02-01

We address the issue of whether the golden-mean [ψ=(sqrt[5]+1)/2≃1.618] universality class, as predicted by several theoretical models, can be observed in the dynamical scaling of thermal transport. Remarkably, we show strong evidence that ψ appears to be the scaling exponent of heat mode correlation in a purely quartic anharmonic chain. This observation seems to somewhat deviate from the previous expectation and we explain it by the unusual slow decay of the cross correlation between heat and sound modes. Whenever the cubic anharmonicity is included, this cross correlation gradually dies out and another universality class with scaling exponent γ=5/3, as commonly predicted by theories, seems recovered. However, this recovery is accompanied by two interesting phase transition processes characterized by a change of symmetry of the potential and a clear variation of the dynamic structure factor, respectively. Due to these transitions, an additional exponent close to γ≃1.580 emerges. All this evidence suggests that, to gain a full prediction of the scaling of thermal transport, more ingredients should be taken into account.
Patch-clamp recordings of rat neurons from acute brain slices of the somatosensory cortex during magnetic stimulation

PubMed Central

Pashut, Tamar; Magidov, Dafna; Ben-Porat, Hana; Wolfus, Shuki; Friedman, Alex; Perel, Eli; Lavidor, Michal; Bar-Gad, Izhar; Yeshurun, Yosef; Korngreen, Alon

2014-01-01

Although transcranial magnetic stimulation (TMS) is a popular tool for both basic research and clinical applications, its actions on nerve cells are only partially understood. We have previously predicted, using compartmental modeling, that magnetic stimulation of central nervous system neurons depolarized the soma followed by initiation of an action potential in the initial segment of the axon. The simulations also predict that neurons with low current threshold are more susceptible to magnetic stimulation. Here we tested these theoretical predictions by combining in vitro patch-clamp recordings from rat brain slices with magnetic stimulation and compartmental modeling. In agreement with the modeling, our recordings demonstrate the dependence of magnetic stimulation-triggered action potentials on the type and state of the neuron and its orientation within the magnetic field. Our results suggest that the observed effects of TMS are deeply rooted in the biophysical properties of single neurons in the central nervous system and provide a framework both for interpreting existing TMS data and developing new simulation-based tools and therapies. PMID:24917788
The influence of pressure relaxation on the structure of an axial vortex

NASA Astrophysics Data System (ADS)

Ash, Robert L.; Zardadkhan, Irfan; Zuckerwar, Allan J.

2011-07-01

Governing equations including the effects of pressure relaxation have been utilized to study an incompressible, steady-state viscous axial vortex with specified far-field circulation. When sound generation is attributed to a velocity gradient tensor-pressure gradient product, the modified conservation of momentum equations that result yield an exact solution for a steady, incompressible axial vortex. The vortex velocity profile has been shown to closely approximate experimental vortex measurements in air and water over a wide range of circulation-based Reynolds numbers. The influence of temperature and humidity on the pressure relaxation coefficient in air has been examined using theoretical and empirical approaches, and published axial vortex experiments have been employed to estimate the pressure relaxation coefficient in water. Non-equilibrium pressure gradient forces have been shown to balance the viscous stresses in the vortex core region, and the predicted pressure deficits that result from this non-equilibrium balance can be substantially larger than the pressure deficits predicted using a Bernoulli equation approach. Previously reported pressure deficit distributions for dust devils and tornados have been employed to validate the non-equilibrium pressure deficit predictions.
Predicting positive parity B$$_s$$ mesons from lattice QCD

DOE PAGES

Lang, C. B.; Mohler, Daniel; Prelovsek, Sasa; ...

2015-08-18

We determine the spectrum of B s 1P states using lattice QCD. For the B s1(5830) and B s2*(5840) mesons, the results are in good agreement with the experimental values. Two further mesons are expected in the quantum channels J P = 0 + and 1 + near the BK and B*K thresholds. A combination of quark–antiquark and B(*) meson–Kaon interpolating fields are used to determine the mass of two QCD bound states below the B(*)K threshold, with the assumption that mixing with B s (*)η and isospin-violating decays to B s (*)π are negligible. We predict a J Pmore » = 0 + bound state Bs0 with mass mBs0 = 5.711(13)(19) GeV. In addition, with further assumptions motivated theoretically by the heavy quark limit, a bound state with m Bs1=5.750(17)(19) GeV is predicted in the J P = 1 + channel. The results from our first principles calculation are compared to previous model-based estimates.« less
Observing golden-mean universality class in the scaling of thermal transport

NASA Astrophysics Data System (ADS)

Xiong, Daxing

2018-02-01

We address the issue of whether the golden-mean [ψ =(√{5 }+1 ) /2 ≃1.618 ] universality class, as predicted by several theoretical models, can be observed in the dynamical scaling of thermal transport. Remarkably, we show strong evidence that ψ appears to be the scaling exponent of heat mode correlation in a purely quartic anharmonic chain. This observation seems to somewhat deviate from the previous expectation and we explain it by the unusual slow decay of the cross correlation between heat and sound modes. Whenever the cubic anharmonicity is included, this cross correlation gradually dies out and another universality class with scaling exponent γ =5 /3 , as commonly predicted by theories, seems recovered. However, this recovery is accompanied by two interesting phase transition processes characterized by a change of symmetry of the potential and a clear variation of the dynamic structure factor, respectively. Due to these transitions, an additional exponent close to γ ≃1.580 emerges. All this evidence suggests that, to gain a full prediction of the scaling of thermal transport, more ingredients should be taken into account.
The Influence of U.S. Chain Restaurant Food Consumption and Obesity in China and South Korea: An Ecological Perspective of Food Consumption, Self-Efficacy in Weight Management, Willingness to Communicate About Weight/Diet, and Depression.

PubMed

Wright, Kevin B; Mazzone, Raphael; Oh, Hyun; Du, Joshua; Smithson, Anne-Bennett; Ryan, Diane; MacNeil, David; Tong, Xing; Stiller, Carol

2016-11-01

This study examined the impact of U.S. chain restaurant food consumption in China and South Korea from an ecological perspective. Specifically, it explored the relationships among several environmental and individual variables that have been found to affect obesity/weight management in previous research, including the prevalence/popularity of U.S. chain restaurants in these countries, frequency of U.S. chain restaurant food consumption, self-efficacy in weight management, willingness to communicate about weight/diet, self-perceptions of weight/obesity stigma, body mass index (BMI), and depression. The results indicated that willingness to communicate about weight/diet predicted increased self-efficacy in weight management. Higher BMI scores were found to predict increased weight/obesity stigma, and increased frequency of U.S. restaurant food consumption, weight/obesity stigma, and reduced self-efficacy in weight management were found to predict increased levels of depression. The theoretical and practical implications of the findings are discussed, along with limitations and directions for future research.
Some recent experimental results related to nuclear chirality

NASA Astrophysics Data System (ADS)

Timár, J.; Kuti, I.; Sohler, D.; Starosta, K.; Koike, T.; Paul, E. S.

2014-09-01

Detailed band structures of three chiral-candidate nuclei, 134Pr, 132La and 103Rh have been studied. The aim of the study was twofold. First, to try to explore the reasons behind the contradiction between the theoretically predicted chirality in these nuclei and the recently observed fingerprints that suggest non-chiral interpretation for the previous chiral candidate band doublets. Second, to search for multiple chiral bands of different types in these nuclei. In 134Pr a new πh11/2vh11/2 band has been observed besides the previously known chiral-candidate πh11/2vh11/2 doublet. This new band and the yrare πh11/2vh11/2 band show the expected features of a chiral doublet structure. This fact combined with the observed similarity between the band structures of 134Pr and 132La suggests that chirality might exist in these nuclei. The detailed study of the 103Rh band structure resulted in the observation of two new chiral-doublet looking structures besides the previously known one. This is indicative of possible existence of multiple chiral doublet structure in this nucleus.

Small and poor females change sex: a theoretical and empirical study on protogynous sex change in a triggerfish under varying resource abundance.

PubMed

Yamaguchi, Sachi; Seki, Satoko; Sawada, Kota; Takahashi, Satoshi

2013-01-21

Sex change is known from various fish species. In many polygynous species, the largest female usually changes sex to male when the dominant male disappeared, as predicted by the classical size-advantage model. However, in some fishes, the disappearance of male often induces sex change by a smaller female, instead of the largest one. The halfmoon triggerfish Sufflamen chrysopterum is one of such species. We conducted both field investigation and theoretical analysis to test the hypothesis that variation in female fecundity causes the sex change by less-fertile females, even if they are not the largest. We estimated the effect of body length and residual body width (an indicator of nutrition status) on clutch size based on field data. Sex-specific growth rates were also estimated from our investigation and a previous study. We incorporated these estimated value into an evolutionarily stable strategy model for status-dependent size at sex change. As a result, we predict that rich females change sex at a larger size than poor ones, since a rich fish can achieve high reproductive success as a female. In some situations, richer females no longer change sex (i.e. lifelong females), and poorer fish changes sex just after maturation (i.e. primary males). We also analyzed the effect of size-specific growth and mortality. Copyright © 2012 Elsevier Ltd. All rights reserved.
Electric dipole strength and dipole polarizability in 48Ca within a fully self-consistent second random-phase approximation

NASA Astrophysics Data System (ADS)

Gambacurta, D.; Grasso, M.; Vasseur, O.

2018-02-01

The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random-phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.
Ecological constraints influence the emergence of cooperative breeding when population dynamics determine the fitness of helpers.

PubMed

McLeod, David V; Wild, Geoff

2013-11-01

Cooperative breeding is a system in which certain individuals facilitate the production of offspring by others. The ecological constraints hypothesis states that ecological conditions deter individuals from breeding independently, and so individuals breed cooperatively to make the best of a bad situation. Current theoretical support for the ecological constraints hypothesis is lacking. We formulate a mathematical model that emphasizes the underlying ecology of cooperative breeders. Our goal is to derive theoretical support for the ecological constraints hypothesis using an ecological model of population dynamics. We consider a population composed of two kinds of individuals, nonbreeders (auxiliaries) and breeders. We suppose that help provided by an auxiliary increases breeder fecundity, but reduces the probability with which the auxiliary becomes a breeder. Our main result is a condition that guarantees success of auxiliary help. We predict that increasing the cost of dispersal promotes helping, in agreement with verbal theory. We also predict that increasing breeder mortality can either hinder helping (at high population densities), or promote it (at low population densities). We conclude that ecological constraints can exert influence over the evolution of auxiliary help when population dynamics are considered; moreover, that influence need not coincide with direct fitness benefits as previously found. © 2013 The Author(s). Evolution © 2013 The Society for the Study of Evolution.
Experimental Study of Fire Hazards of Thermal-Insulation Material in Diesel Locomotive: Aluminum-Polyurethane.

PubMed

Zhang, Taolin; Zhou, Xiaodong; Yang, Lizhong

2016-03-05

This work investigated experimentally and theoretically the fire hazards of thermal-insulation materials used in diesel locomotives under different radiation heat fluxes. Based on the experimental results, the critical heat flux for ignition was determined to be 6.15 kW/m² and 16.39 kW/m² for pure polyurethane and aluminum-polyurethane respectively. A theoretical model was established for both to predict the fire behaviors under different circumstances. The fire behavior of the materials was evaluated based on the flashover and the total heat release rate (HRR). The fire hazards levels were classified based on different experimental results. It was found that the fire resistance performance of aluminum-polyurethane is much better than that of pure-polyurethane under various external heat fluxes. The concentration of toxic pyrolysis volatiles generated from aluminum-polyurethane materials is much higher than that of pure polyurethane materials, especially when the heat flux is below 50 kW/m². The hazard index HI during peak width time was proposed based on the comprehensive impact of time and concentrations. The predicted HI in this model coincides with the existed N-gas and FED models which are generally used to evaluate the fire gas hazard in previous researches. The integrated model named HNF was proposed as well to estimate the fire hazards of materials by interpolation and weighted average calculation.
Enthalpy/entropy contributions to conformational KIEs: theoretical predictions and comparison with experiment.

PubMed

Fong, Aaron; Meyer, Matthew P; O'Leary, Daniel J

2013-02-18

Previous theoretical studies of Mislow's doubly-bridged biphenyl ketone 1 and dihydrodimethylphenanthrene 2 have determined significant entropic contributions to their normal (1) and inverse (2) conformational kinetic isotope effects (CKIEs). To broaden our investigation, we have used density functional methods to characterize the potential energy surfaces and vibrational frequencies for ground and transition structures of additional systems with measured CKIEs, including [2.2]-metaparacyclophane-d (3), 1,1'-binaphthyl (4), 2,2'-dibromo-[1,1'-biphenyl]-4,4'-dicarboxylic acid (5), and the 2-(N,N,N-trimethyl)-2'-(N,N-dimethyl)-diaminobiphenyl cation (6). We have also computed CKIEs in a number of systems whose experimental CKIEs are unknown. These include analogs of 1 in which the C=O groups have been replaced with CH₂ (7), O (8), and S (9) atoms and ring-expanded variants of 2 containing CH₂ (10), O (11), S (12), or C=O (13) groups. Vibrational entropy contributes to the CKIEs in all of these systems with the exception of cyclophane 3, whose isotope effect is predicted to be purely enthalpic in origin and whose Bigeleisen-Mayer ZPE term is equivalent to DDH‡. There is variable correspondence between these terms in the other molecules studied, thus identifying additional examples of systems in which the Bigeleisen-Mayer formalism does not correlate with DH/DS dissections.
Cosmographic analysis with Chebyshev polynomials

NASA Astrophysics Data System (ADS)

Capozziello, Salvatore; D'Agostino, Rocco; Luongo, Orlando

2018-05-01

The limits of standard cosmography are here revised addressing the problem of error propagation during statistical analyses. To do so, we propose the use of Chebyshev polynomials to parametrize cosmic distances. In particular, we demonstrate that building up rational Chebyshev polynomials significantly reduces error propagations with respect to standard Taylor series. This technique provides unbiased estimations of the cosmographic parameters and performs significatively better than previous numerical approximations. To figure this out, we compare rational Chebyshev polynomials with Padé series. In addition, we theoretically evaluate the convergence radius of (1,1) Chebyshev rational polynomial and we compare it with the convergence radii of Taylor and Padé approximations. We thus focus on regions in which convergence of Chebyshev rational functions is better than standard approaches. With this recipe, as high-redshift data are employed, rational Chebyshev polynomials remain highly stable and enable one to derive highly accurate analytical approximations of Hubble's rate in terms of the cosmographic series. Finally, we check our theoretical predictions by setting bounds on cosmographic parameters through Monte Carlo integration techniques, based on the Metropolis-Hastings algorithm. We apply our technique to high-redshift cosmic data, using the Joint Light-curve Analysis supernovae sample and the most recent versions of Hubble parameter and baryon acoustic oscillation measurements. We find that cosmography with Taylor series fails to be predictive with the aforementioned data sets, while turns out to be much more stable using the Chebyshev approach.
Experimental Study of Fire Hazards of Thermal-Insulation Material in Diesel Locomotive: Aluminum-Polyurethane

PubMed Central

Zhang, Taolin; Zhou, Xiaodong; Yang, Lizhong

2016-01-01

This work investigated experimentally and theoretically the fire hazards of thermal-insulation materials used in diesel locomotives under different radiation heat fluxes. Based on the experimental results, the critical heat flux for ignition was determined to be 6.15 kW/m2 and 16.39 kW/m2 for pure polyurethane and aluminum-polyurethane respectively. A theoretical model was established for both to predict the fire behaviors under different circumstances. The fire behavior of the materials was evaluated based on the flashover and the total heat release rate (HRR). The fire hazards levels were classified based on different experimental results. It was found that the fire resistance performance of aluminum-polyurethane is much better than that of pure-polyurethane under various external heat fluxes. The concentration of toxic pyrolysis volatiles generated from aluminum-polyurethane materials is much higher than that of pure polyurethane materials, especially when the heat flux is below 50 kW/m2. The hazard index HI during peak width time was proposed based on the comprehensive impact of time and concentrations. The predicted HI in this model coincides with the existed N-gas and FED models which are generally used to evaluate the fire gas hazard in previous researches. The integrated model named HNF was proposed as well to estimate the fire hazards of materials by interpolation and weighted average calculation. PMID:28773295
Powdered aluminum and oxygen rocket propellants: Subscale combustion experiments

NASA Technical Reports Server (NTRS)

Meyer, Mike L.

1993-01-01

Aluminum combined with oxygen has been proposed as a potential lunar in situ propellant for ascent/descent and return missions for future lunar exploration. Engine concepts proposed to use this propellant have not previously been demonstrated, and the impact on performance from combustion and two-phase flow losses could only be estimated. Therefore, combustion tests were performed for aluminum and aluminum/magnesium alloy powders with oxygen in subscale heat-sink rocket engine hardware. The metal powder was pneumatically injected, with a small amount of nitrogen, through the center orifice of a single element O-F-O triplet injector. Gaseous oxygen impinged on the fuel stream. Hot-fire tests of aluminum/oxygen were performed over a mixture ratio range of 0.5 to 3.0, and at a chamber pressure of approximately 480 kPa (70 psia). The theoretical performance of the propellants was analyzed over a mixture ratio range of 0.5 to 5.0. In the theoretical predictions the ideal one-dimensional equilibrium rocket performance was reduced by loss mechanisms including finite rate kinetics, two-dimensional divergence losses, and boundary layer losses. Lower than predicted characteristic velocity and specific impulse performance efficiencies were achieved in the hot-fire tests, and this was attributed to poor mixing of the propellants and two-phase flow effects. Several tests with aluminum/9.8 percent magnesium alloy powder did not indicate any advantage over the pure aluminum fuel.
A biomechanical model for fibril recruitment: Evaluation in tendons and arteries.

PubMed

Bevan, Tim; Merabet, Nadege; Hornsby, Jack; Watton, Paul N; Thompson, Mark S

2018-06-06

Simulations of soft tissue mechanobiological behaviour are increasingly important for clinical prediction of aneurysm, tendinopathy and other disorders. Mechanical behaviour at low stretches is governed by fibril straightening, transitioning into load-bearing at recruitment stretch, resulting in a tissue stiffening effect. Previous investigations have suggested theoretical relationships between stress-stretch measurements and recruitment probability density function (PDF) but not derived these rigorously nor evaluated these experimentally. Other work has proposed image-based methods for measurement of recruitment but made use of arbitrary fibril critical straightness parameters. The aim of this work was to provide a sound theoretical basis for estimating recruitment PDF from stress-stretch measurements and to evaluate this relationship using image-based methods, clearly motivating the choice of fibril critical straightness parameter in rat tail tendon and porcine artery. Rigorous derivation showed that the recruitment PDF may be estimated from the second stretch derivative of the first Piola-Kirchoff tissue stress. Image-based fibril recruitment identified the fibril straightness parameter that maximised Pearson correlation coefficients (PCC) with estimated PDFs. Using these critical straightness parameters the new method for estimating recruitment PDF showed a PCC with image-based measures of 0.915 and 0.933 for tendons and arteries respectively. This method may be used for accurate estimation of fibril recruitment PDF in mechanobiological simulation where fibril-level mechanical parameters are important for predicting cell behaviour. Copyright © 2018 Elsevier Ltd. All rights reserved.
Remarkable influence of slack on the vibration of a single-walled carbon nanotube resonator.

PubMed

Ning, Zhiyuan; Fu, Mengqi; Wu, Gongtao; Qiu, Chenguang; Shu, Jiapei; Guo, Yao; Wei, Xianlong; Gao, Song; Chen, Qing

2016-04-28

We for the first time quantitatively investigate experimentally the remarkable influence of slack on the vibration of a single-walled carbon nanotube (SWCNT) resonator with a changeable channel length fabricated in situ inside a scanning electron microscope, compare the experimental results with the theoretical predictions calculated from the measured geometric and mechanical parameters of the same SWCNT, and find the following novel points. We demonstrate experimentally that as the slack s is increased from about zero to 1.8%, the detected vibration transforms from single-mode to multimode vibration, and the gate-tuning ability gradually attenuates for all the vibration modes. The quadratic tuning coefficient α decreases linearly with 1/√s when the gate voltage V(g)dc is small and the nanotube resonator operates in the beam regime. The linear tuning coefficient γ decreases linearly with 1/ (4√S) when V(g)dc has an intermediate value and the nanotube resonator operates in the catenary regime. The calculated α and γ fit the experimental values of the even in-plane mode reasonably well. As the slack is increased, the quality factor Q of the resonator linearly goes up, but the increase is far less steep than that predicted by the previous theoretical study. Our results are important to understand and design resonators based on CNT and other nanomaterials.
Numerical simulations of compact intracloud discharges as the Relativistic Runaway Electron Avalanche-Extensive Air Shower process

NASA Astrophysics Data System (ADS)

Arabshahi, S.; Dwyer, J. R.; Nag, A.; Rakov, V. A.; Rassoul, H. K.

2014-01-01

Compact intracloud discharges (CIDs) are sources of the powerful, often isolated radio pulses emitted by thunderstorms. The VLF-LF radio pulses are called narrow bipolar pulses (NBPs). It is still not clear how CIDs are produced, but two categories of theoretical models that have previously been considered are the Transmission Line (TL) model and the Relativistic Runaway Electron Avalanche-Extensive Air Showers (RREA-EAS) model. In this paper, we perform numerical calculations of RREA-EASs for various electric field configurations inside thunderstorms. The results of these calculations are compared to results from the other models and to the experimental data. Our analysis shows that different theoretical models predict different fundamental characteristics for CIDs. Therefore, many previously published properties of CIDs are highly model dependent. This is because of the fact that measurements of the radiation field usually provide information about the current moment of the source, and different physical models with different discharge currents could have the same current moment. We have also found that although the RREA-EAS model could explain the current moments of CIDs, the required electric fields in the thundercloud are rather large and may not be realistic. Furthermore, the production of NBPs from RREA-EAS requires very energetic primary cosmic ray particles, not observed in nature. If such ultrahigh-energy particles were responsible for NBPs, then they should be far less frequent than is actually observed.
An experimental and theoretical analysis of the aerodynamic characteristics of a biplane-winglet configuration. M.D. Thesis

NASA Technical Reports Server (NTRS)

Gall, P. D.

1984-01-01

Improving the aerodynamic characteristics of an airplane with respect to maximizing lift and minimizing induced and parasite drag are of primary importance in designing lighter, faster, and more efficient aircraft. Previous research has shown that a properly designed biplane wing system can perform superiorly to an equivalent monoplane system with regard to maximizing the lift-to-drag ratio and efficiency factor. Biplanes offer several potential advantages over equivalent monoplanes, such as a 60-percent reduction in weight, greater structural integrity, and increased roll response. The purpose of this research is to examine, both theoretically and experimentally, the possibility of further improving the aerodynamic characteristics of the biplanes configuration by adding winglets. Theoretical predictions were carried out utilizing vortex-lattice theory, which is a numerical method based on potential flow theory. Experimental data were obtained by testing a model in the Pennsylvania State University's subsonic wind tunnel at a Reynolds number of 510,000. The results showed that the addition of winglets improved the performance of the biplane with respect to increasing the lift-curve slope, increasing the maximum lift coefficient, increasing the efficiency factor, and decreasing the induced drag. A listing of the program is included in the Appendix.
Ab initio calculation of reaction energies. III. Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

NASA Astrophysics Data System (ADS)

Frisch, Michael J.; Binkley, J. Stephen; Schaefer, Henry F., III

1984-08-01

The relative energies of the stationary points on the FH2 and H2CO nuclear potential energy surfaces relevant to the hydrogen atom abstraction, H2 elimination and 1,2-hydrogen shift reactions have been examined using fourth-order Møller-Plesset perturbation theory and a variety of basis sets. The theoretical absolute zero activation energy for the F+H2→FH+H reaction is in better agreement with experiment than previous theoretical studies, and part of the disagreement between earlier theoretical calculations and experiment is found to result from the use of assumed rather than calculated zero-point vibrational energies. The fourth-order reaction energy for the elimination of hydrogen from formaldehyde is within 2 kcal mol-1 of the experimental value using the largest basis set considered. The qualitative features of the H2CO surface are unchanged by expansion of the basis set beyond the polarized triple-zeta level, but diffuse functions and several sets of polarization functions are found to be necessary for quantitative accuracy in predicted reaction and activation energies. Basis sets and levels of perturbation theory which represent good compromises between computational efficiency and accuracy are recommended.
Theoretical Studies of Strongly Interacting Fine Particle Systems

NASA Astrophysics Data System (ADS)

Fearon, Michael

Available from UMI in association with The British Library. A theoretical analysis of the time dependent behaviour of a system of fine magnetic particles as a function of applied field and temperature was carried out. The model used was based on a theory assuming Neel relaxation with a distribution of particle sizes. This theory predicted a linear variation of S_{max} with temperature and a finite intercept, which is not reflected by experimental observations. The remanence curves of strongly interacting fine-particle systems were also investigated theoretically. It was shown that the Henkel plot of the dc demagnetisation remanence vs the isothermal remanence is a useful representation of interactions. The form of the plot was found to be a reflection of the magnetic and physical microstructure of the material, which is consistent with experimental data. The relationship between the Henkel plot and the noise of a particulate recording medium, another property dependent on the microstructure, is also considered. The Interaction Field Factor (IFF), a single parameter characterising the non-linearity of the Henkel plot, is investigated. These results are consistent with a previous experimental study. Finally the results of the noise power spectral density for erased and saturated recording media are presented, so that characterisation of interparticle interactions may be carried out with greater accuracy.
Dissipation-induced dipole blockade and antiblockade in driven Rydberg systems

NASA Astrophysics Data System (ADS)

Young, Jeremy T.; Boulier, Thomas; Magnan, Eric; Goldschmidt, Elizabeth A.; Wilson, Ryan M.; Rolston, Steven L.; Porto, James V.; Gorshkov, Alexey V.

2018-02-01

We study theoretically and experimentally the competing blockade and antiblockade effects induced by spontaneously generated contaminant Rydberg atoms in driven Rydberg systems. These contaminant atoms provide a source of strong dipole-dipole interactions and play a crucial role in the system's behavior. We study this problem theoretically using two different approaches. The first is a cumulant expansion approximation, in which we ignore third-order and higher connected correlations. Using this approach for the case of resonant drive, a many-body blockade radius picture arises, and we find qualitative agreement with previous experimental results. We further predict that as the atomic density is increased, the Rydberg population's dependence on Rabi frequency will transition from quadratic to linear dependence at lower Rabi frequencies. We study this behavior experimentally by observing this crossover at two different atomic densities. We confirm that the larger density system has a smaller crossover Rabi frequency than the smaller density system. The second theoretical approach is a set of phenomenological inhomogeneous rate equations. We compare the results of our rate-equation model to the experimental observations [E. A. Goldschmidt et al., Phys. Rev. Lett. 116, 113001 (2016), 10.1103/PhysRevLett.116.113001] and find that these rate equations provide quantitatively good scaling behavior of the steady-state Rydberg population for both resonant and off-resonant drives.
Understanding controlled drug release from mesoporous silicates: theory and experiment.

PubMed

Ukmar, T; Maver, U; Planinšek, O; Kaučič, V; Gaberšček, M; Godec, A

2011-11-07

Based on the results of carefully designed experiments upgraded with appropriate theoretical modeling, we present clear evidence that the release curves from mesoporous materials are significantly affected by drug-matrix interactions. In experimental curves, these interactions are manifested as a non-convergence at long times and an inverse dependence of release kinetics on pore size. Neither of these phenomena is expected in non-interacting systems. Although both phenomena have, rather sporadically, been observed in previous research, they have not been explained in terms of a general and consistent theoretical model. The concept is demonstrated on a model drug indomethacin embedded into SBA-15 and MCM-41 porous silicates. The experimental release curves agree exceptionally well with theoretical predictions in the case of significant drug-wall attractions. The latter are described using a 2D Fokker-Planck equation. One could say that the interactions affect the relative cross-section of pores where the local flux has a non-vanishing axial component and in turn control the effective transfer of drug into bulk solution. Finally, we identify the critical parameters determining the pore size dependence of release kinetics and construct a dynamic phase diagram of the various resulting transport regimes. Copyright © 2011 Elsevier B.V. All rights reserved.
Effect of random surface inhomogeneities on spectral properties of dielectric-disk microresonators: theory and modeling at millimeter wave range.

PubMed

Ganapolskii, E M; Eremenko, Z E; Tarasov, Yu V

2009-04-01

The influence of random axially homogeneous surface roughness on spectral properties of dielectric resonators of circular disk form is studied both theoretically and experimentally. To solve the equations governing the dynamics of electromagnetic fields, the method of eigenmode separation is applied previously developed with reference to inhomogeneous systems subject to arbitrary external static potential. We prove theoretically that it is the gradient mechanism of wave-surface scattering that is highly responsible for nondissipative loss in the resonator. The influence of side-boundary inhomogeneities on the resonator spectrum is shown to be described in terms of effective renormalization of mode wave numbers jointly with azimuth indices in the characteristic equation. To study experimentally the effect of inhomogeneities on the resonator spectrum, the method of modeling in the millimeter wave range is applied. As a model object, we use a dielectric disk resonator (DDR) fitted with external inhomogeneities randomly arranged at its side boundary. Experimental results show good agreement with theoretical predictions as regards the predominance of the gradient scattering mechanism. It is shown theoretically and confirmed in the experiment that TM oscillations in the DDR are less affected by surface inhomogeneities than TE oscillations with the same azimuth indices. The DDR model chosen for our study as well as characteristic equations obtained thereupon enable one to calculate both the eigenfrequencies and the Q factors of resonance spectral lines to fairly good accuracy. The results of calculations agree well with obtained experimental data.
Nonlinear elastic response of strong solids: First-principles calculations of the third-order elastic constants of diamond

DOE PAGES

Hmiel, A.; Winey, J. M.; Gupta, Y. M.; ...

2016-05-23

Accurate theoretical calculations of the nonlinear elastic response of strong solids (e.g., diamond) constitute a fundamental and important scientific need for understanding the response of such materials and for exploring the potential synthesis and design of novel solids. However, without corresponding experimental data, it is difficult to select between predictions from different theoretical methods. Recently the complete set of third-order elastic constants (TOECs) for diamond was determined experimentally, and the validity of various theoretical approaches to calculate the same may now be assessed. We report on the use of density functional theory (DFT) methods to calculate the six third-order elasticmore » constants of diamond. Two different approaches based on homogeneous deformations were used: (1) an energy-strain fitting approach using a prescribed set of deformations, and (2) a longitudinal stress-strain fitting approach using uniaxial compressive strains along the [100], [110], and [111] directions, together with calculated pressure derivatives of the second-order elastic constants. The latter approach provides a direct comparison to the experimental results. The TOECs calculated using the energy-strain approach differ significantly from the measured TOECs. In contrast, calculations using the longitudinal stress-uniaxial strain approach show good agreement with the measured TOECs and match the experimental values significantly better than the TOECs reported in previous theoretical studies. Lastly, our results on diamond have demonstrated that, with proper analysis procedures, first-principles calculations can indeed be used to accurately calculate the TOECs of strong solids.« less
Global analysis of seasonal streamflow predictability using an ensemble prediction system and observations from 6192 small catchments worldwide

NASA Astrophysics Data System (ADS)

van Dijk, Albert I. J. M.; Peña-Arancibia, Jorge L.; Wood, Eric F.; Sheffield, Justin; Beck, Hylke E.

2013-05-01

Ideally, a seasonal streamflow forecasting system would ingest skilful climate forecasts and propagate these through calibrated hydrological models initialized with observed catchment conditions. At global scale, practical problems exist in each of these aspects. For the first time, we analyzed theoretical and actual skill in bimonthly streamflow forecasts from a global ensemble streamflow prediction (ESP) system. Forecasts were generated six times per year for 1979-2008 by an initialized hydrological model and an ensemble of 1° resolution daily climate estimates for the preceding 30 years. A post-ESP conditional sampling method was applied to 2.6% of forecasts, based on predictive relationships between precipitation and 1 of 21 climate indices prior to the forecast date. Theoretical skill was assessed against a reference run with historic forcing. Actual skill was assessed against streamflow records for 6192 small (<10,000 km2) catchments worldwide. The results show that initial catchment conditions provide the main source of skill. Post-ESP sampling enhanced skill in equatorial South America and Southeast Asia, particularly in terms of tercile probability skill, due to the persistence and influence of the El Niño Southern Oscillation. Actual skill was on average 54% of theoretical skill but considerably more for selected regions and times of year. The realized fraction of the theoretical skill probably depended primarily on the quality of precipitation estimates. Forecast skill could be predicted as the product of theoretical skill and historic model performance. Increases in seasonal forecast skill are likely to require improvement in the observation of precipitation and initial hydrological conditions.
Origin of Vibrational Instabilities in Molecular Wires with Separated Electronic States.

PubMed

Foti, Giuseppe; Vázquez, Héctor

2018-06-07

Current-induced heating in molecular junctions stems from the interaction between tunneling electrons and localized molecular vibrations. If the electronic excitation of a given vibrational mode exceeds heat dissipation, a situation known as vibrational instability is established, which can seriously compromise the integrity of the junction. Using out of equilibrium first-principles calculations, we demonstrate that vibrational instabilities can take place in the general case of molecular wires with separated unoccupied electronic states. From the ab initio results, we derive a model to characterize unstable vibrational modes and construct a diagram that maps mode stability. These results generalize previous theoretical work and predict vibrational instabilities in a new regime.

Mould spoilage of cereals during transportation by sea from Latin America to Europe mechanisms, impact and management.

PubMed

Mossel, D A

1988-12-01

Safe water contents of consignments of cereals to be shipped overseas can be calculated from the relation between mould-free storage time and storage conditions (temperature of the environment, aw of the cereal), corrected for heterogeneity of water distribution, content of damaged kernels and degree of infestation by insects. The validity of this model was substantiated by the inspection of shipments and theoretical data from the literature. This predictive model can usefully be substituted for previously used, ill-defined criteria like average or any portion's water content and should prompt the trade to sell consignments of cereals on the basis of dry substance.
The uncertain trajectory of a pilot-wave

NASA Astrophysics Data System (ADS)

Nachbin, Andre

2015-11-01

Yves Couder (Paris 7) and coworkers reported on walking droplets on the surface of a vibrating bath. John Bush (MIT) and coworkers also produced laboratory experiments which were compared to theoretical predictions. Both groups discussed the pilot-wave properties previously thought to be peculiar to the microscopic, quantum realm. Of particular interest is the wavelike statistics for pilot-wave dynamics in a confined domain. We present a one dimensional water wave model for a droplet bouncing in a confined domain. The mathematical model makes use of conformal mapping which allows for the presence of submerged barriers. The computational simulations produce tunneling events. Work supported by CNPq grant 454027/2008-7 and by FAPERJ Cientistas do Nosso Estado grant 102917/2011.
Unsteady convection in tin in a Bridgman configuration

NASA Technical Reports Server (NTRS)

Knuteson, David J.; Fripp, Archibald L.; Woodell, Glenn A.; Debnam, William J., Jr.; Narayanan, Ranga

1991-01-01

When a quiescent fluid is heated sufficiently from below, steady convection will begin. Further heating will cause oscillatory and then turbulent flow. Theoretical results predict that the frequency of oscillation will depend on the square root of the Rayleigh number in the fluid. In the current work, liquid tin was heated from below for three aspect ratios, h/R = 3.4, 5.3, and 7.0. The experimental results are curve-fit for the square-root relation and also for a linear relation. The fit of the expression is evaluated using a correlation coefficient. An estimate for the first critical Rayleigh number (onset of steady convection) is obtained for both expressions. These values are compared to previous experimental results.
Electron screening and its effects on big-bang nucleosynthesis

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

Wang Biao; Bertulani, C. A.; Balantekin, A. B.

We study the effects of electron screening on nuclear reaction rates occurring during the big-bang nucleosynthesis epoch. The sensitivity of the predicted elemental abundances on electron screening is studied in detail. It is shown that electron screening does not produce noticeable results in the abundances unless the traditional Debye-Hueckel model for the treatment of electron screening in stellar environments is enhanced by several orders of magnitude. This work rules out electron screening as a relevant ingredient to big-bang nucleosynthesis, confirming a previous study [see Itoh et al., Astrophys. J. 488, 507 (1997)] and ruling out exotic possibilities for the treatmentmore » of screening beyond the mean-field theoretical approach.« less
Unusual Evolution of the Conduction-Electron State in CexLa1-xB6 from Non-Fermi Liquid to Fermi Liquid

NASA Astrophysics Data System (ADS)

Nakamura, S.; Endo, M.; Yamamoto, H.; Isshiki, T.; Kimura, N.; Aoki, H.; Nojima, T.; Otani, S.; Kunii, S.

2006-12-01

We report unusual evolution of the conduction-electron state in the localized f electron system CexLa1-xB6 from normal electron state to heavy Fermi liquid (FL) state through local FL and non-FL states with increasing Ce concentration and/or with increasing magnetic field. The effective mass of quasiparticle or the coefficient A of T2 term of resistivity is found to increase divergently near the boundary between FL state and non-FL state. The features of the non-FL state are also different from those of the typical non-FL systems previously observed or theoretically predicted.
Boron supercapacitors

DOE PAGES

Zhan, Cheng; Zhang, Pengfei; Dai, Sheng; ...

2016-11-16

Supercapacitors based on the electric double-layer mechanism use porous carbons or graphene as electrodes. To move beyond this paradigm, we propose boron supercapacitors to leverage two-dimensional (2D) boron sheets’ metallicity and low weight. Six 2D boron sheets from both previous theoretical design and experimental growth are chosen as test electrodes. By applying joint density functional theory (JDFT) to the electrode–electrolyte system, we examine how the 2D boron sheets charge up against applied potential. JDFT predicts that these 2D boron sheets exhibit specific capacitance on the order of 400 F/g, about four times that of graphene. As a result, our workmore » suggests that 2D boron sheets are promising electrodes for supercapacitor applications.« less
Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation.

PubMed

Mazzola, Guglielmo; Yunoki, Seiji; Sorella, Sandro

2014-03-19

The study of the high pressure phase diagram of hydrogen has continued with renewed effort for about one century as it remains a fundamental challenge for experimental and theoretical techniques. Here we employ an efficient molecular dynamics based on the quantum Monte Carlo method, which can describe accurately the electronic correlation and treat a large number of hydrogen atoms, allowing a realistic and reliable prediction of thermodynamic properties. We find that the molecular liquid phase is unexpectedly stable, and the transition towards a fully atomic liquid phase occurs at much higher pressure than previously believed. The old standing problem of low-temperature atomization is, therefore, still far from experimental reach.
Drop evaporation in a single-axis acoustic levitator

NASA Technical Reports Server (NTRS)

Lierke, E. G.; Croonquist, A. P.

1990-01-01

A 20 kHz single-axis acoustic positioner is used to levitate aqueous-solution drops (volumes less than or approximately equal to 100 micro-liters). Drop evaporation rates are measured under ambient, isothermal conditions for different relative humidities. Acoustic convection around the levitated sample enhances the mass loss over that due to natural convection and diffusion. A theoretical treatment of the mass flow is developed in analogy to previous studies of the heat transfer from a sphere in an acoustic field. Predictions of the enhanced mass loss, in the form of Nusselt (Sherwood) numbers, are compared with observed rages of drop shrinking. The work is part of an ESA crystal growth from levitated solution drops.
Crack Front Segmentation and Facet Coarsening in Mixed-Mode Fracture

NASA Astrophysics Data System (ADS)

Chen, Chih-Hung; Cambonie, Tristan; Lazarus, Veronique; Nicoli, Matteo; Pons, Antonio J.; Karma, Alain

2015-12-01

A planar crack generically segments into an array of "daughter cracks" shaped as tilted facets when loaded with both a tensile stress normal to the crack plane (mode I) and a shear stress parallel to the crack front (mode III). We investigate facet propagation and coarsening using in situ microscopy observations of fracture surfaces at different stages of quasistatic mixed-mode crack propagation and phase-field simulations. The results demonstrate that the bifurcation from propagating a planar to segmented crack front is strongly subcritical, reconciling previous theoretical predictions of linear stability analysis with experimental observations. They further show that facet coarsening is a self-similar process driven by a spatial period-doubling instability of facet arrays.
Rape Myth Consistency and Gender Differences in Perceiving Rape Victims: A Meta-Analysis.

PubMed

Hockett, Jericho M; Smith, Sara J; Klausing, Cathleen D; Saucier, Donald A

2016-02-01

An overview discusses feminist analyses of oppression, attitudes toward rape victims, and previously studied predictors of individuals' attitudes toward rape victims. To better understand such attitudes, this meta-analysis examines the moderating influences of various rape victim, perpetrator, and crime characteristics' rape myth consistency on gender differences in individuals' perceptions of rape victims (i.e., victim responsibility and blame attributions and rape minimizing attitudes). Consistent with feminist theoretical predictions, results indicated that, overall, men perceived rape victims more negatively than women did. However, this sex difference was moderated by the rape myth consistency within the rape vignettes. Implications for research are discussed. © The Author(s) 2015.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramirez, A. P. D.; Vanhoy, J. R.; Hicks, S. F.

Elastic and inelastic differential cross sections for neutron scattering from 56Fe have been measured for several incident energies from 1.30 to 7.96 MeV at the University of Kentucky Accelerator Laboratory. Scattered neutrons were detected using a C 6D 6 liquid scintillation detector using pulse-shape discrimination and time-of-flight techniques. The deduced cross sections have been compared with previously reported data, predictions from evaluation databases ENDF, JENDL, and JEFF, and theoretical calculations performed using different optical model potentials using the TALYS and EMPIRE nuclear reaction codes. The coupled-channel calculations based on the vibrational and soft-rotor models are found to describe the experimentalmore » (n,n 0) and (n,n 1) cross sections well.« less
Boron supercapacitors

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

Zhan, Cheng; Zhang, Pengfei; Dai, Sheng

Supercapacitors based on the electric double-layer mechanism use porous carbons or graphene as electrodes. To move beyond this paradigm, we propose boron supercapacitors to leverage two-dimensional (2D) boron sheets’ metallicity and low weight. Six 2D boron sheets from both previous theoretical design and experimental growth are chosen as test electrodes. By applying joint density functional theory (JDFT) to the electrode–electrolyte system, we examine how the 2D boron sheets charge up against applied potential. JDFT predicts that these 2D boron sheets exhibit specific capacitance on the order of 400 F/g, about four times that of graphene. As a result, our workmore » suggests that 2D boron sheets are promising electrodes for supercapacitor applications.« less
Limited Resources Induce Bistability in Microtubule Length Regulation

NASA Astrophysics Data System (ADS)

Rank, Matthias; Mitra, Aniruddha; Reese, Louis; Diez, Stefan; Frey, Erwin

2018-04-01

The availability of protein is an important factor for the determination of the size of the mitotic spindle. Involved in spindle-size regulation is kinesin-8, a molecular motor and microtubule (MT) depolymerase, which is known to tightly control MT length. Here, we propose and analyze a theoretical model in which kinesin-induced MT depolymerization competes with spontaneous polymerization while supplies of both tubulin and kinesin are limited. In contrast to previous studies where resources were unconstrained, we find that, for a wide range of concentrations, MT length regulation is bistable. We test our predictions by conducting in vitro experiments and find that the bistable behavior manifests in a bimodal MT length distribution.
A comparative study on the forming limit diagram prediction between Marciniak-Kuczynski model and modified maximum force criterion by using the evolving non-associated Hill48 plasticity model

NASA Astrophysics Data System (ADS)

Shen, Fuhui; Lian, Junhe; Münstermann, Sebastian

2018-05-01

Experimental and numerical investigations on the forming limit diagram (FLD) of a ferritic stainless steel were performed in this study. The FLD of this material was obtained by Nakajima tests. Both the Marciniak-Kuczynski (MK) model and the modified maximum force criterion (MMFC) were used for the theoretical prediction of the FLD. From the results of uniaxial tensile tests along different loading directions with respect to the rolling direction, strong anisotropic plastic behaviour was observed in the investigated steel. A recently proposed anisotropic evolving non-associated Hill48 (enHill48) plasticity model, which was developed from the conventional Hill48 model based on the non-associated flow rule with evolving anisotropic parameters, was adopted to describe the anisotropic hardening behaviour of the investigated material. In the previous study, the model was coupled with the MMFC for FLD prediction. In the current study, the enHill48 was further coupled with the MK model. By comparing the predicted forming limit curves with the experimental results, the influences of anisotropy in terms of flow rule and evolving features on the forming limit prediction were revealed and analysed. In addition, the forming limit predictive performances of the MK and the MMFC models in conjunction with the enHill48 plasticity model were compared and evaluated.
Theoretical study on removal rate and surface roughness in grinding a RB-SiC mirror with a fixed abrasive.

PubMed

Wang, Xu; Zhang, Xuejun

2009-02-10

This paper is based on a microinteraction principle of fabricating a RB-SiC material with a fixed abrasive. The influence of the depth formed on a RB-SiC workpiece by a diamond abrasive on the material removal rate and the surface roughness of an optical component are quantitatively discussed. A mathematical model of the material removal rate and the simulation results of the surface roughness are achieved. In spite of some small difference between the experimental results and the theoretical anticipation, which is predictable, the actual removal rate matches the theoretical prediction very well. The fixed abrasive technology's characteristic of easy prediction is of great significance in the optical fabrication industry, so this brand-new fixed abrasive technology has wide application possibilities.
Detection of free nickel monocarbonyl, NiCO: rotational spectrum and structure.

PubMed

Yamazaki, Emi; Okabayashi, Toshiaki; Tanimoto, Mitsutoshi

2004-02-04

Unsaturated transition metal carbonyls are important in processes such as organometallic synthesis, homogeneous catalysis, and photochemical decomposition of organometallics. In particular, a metal monocarbonyl offers a zeroth-order model for interpreting the chemisorption of a CO molecule on a metal surface in catalytic activation processes. Quite large numbers of theoretical papers have appeared which predict spectroscopic and structural properties of transition metal carbonyls. The nickel monocarbonyl NiCO has been one of the metal carbonyls most extensively studied by the theoretical calculations. At least 50 theoretical studies have been published on this simplest transition metal carbonyl up to the present time. However, experimental evidence of NiCO is much more sparse than theoretical predictions, and the actual structure of NiCO has never been determined by any experimental methods. This Communication reports the first preparation of free nickel monocarbonyl and observation of its rotational transitions. The NiCO molecule was generated by the sputtering reaction of a Ni cathode in the presence of CO. The accurate bond lengths of Ni-C and C-O were experimentally determined from isotopic data and were compared with the theoretical predictions for the first time.
Be a good loser: A theoretical model for subordinate decision-making on bi-directional sex change in haremic fishes.

PubMed

Sawada, Kota; Yamaguchi, Sachi; Iwasa, Yoh

2017-05-21

Among animals living in groups with reproductive skew associated with a dominance hierarchy, subordinates may do best by using various alternative tactics. Sequential hermaphrodites or sex changers adopt a unique solution, that is, being the sex with weaker skew when they are small and subordinate, and changing sex when they become larger. In bi-directionally sex-changing fishes, although most are haremic and basically protogynous, subordinate males can change sex to being females. We study a mathematical model to examine when and why such reversed sex change is more adaptive than dispersal to take over another harem. We attempt to examine previously proposed hypotheses that the risk of dispersal and low density favor reversed sex change, and to specify an optimal decision-making strategy for subordinates. As a result, while the size-dependent conditional strategy in which smaller males tend to change sex is predicted, even large males are predicted to change sex under low density and/or high risk of dispersal, supporting both previous hypotheses. The importance of spatiotemporal variation of social and ecological conditions is also suggested. We discuss a unified framework to understand hermaphroditic and gonochoristic societies. Copyright © 2017 Elsevier Ltd. All rights reserved.
Ab initio calculation of the rotational spectrum of methane vibrational ground state

NASA Astrophysics Data System (ADS)

Cassam-Chenaï, P.; Liévin, J.

2012-05-01

In a previous article we have introduced an alternative perturbation scheme to the traditional one starting from the harmonic oscillator, rigid rotator Hamiltonian, to find approximate solutions of the spectral problem for rotation-vibration molecular Hamiltonians. The convergence of our method for the methane vibrational ground state rotational energy levels was quicker than that of the traditional method, as expected, and our predictions were quantitative. In this second article, we study the convergence of the ab initio calculation of effective dipole moments for methane within the same theoretical frame. The first order of perturbation when applied to the electric dipole moment operator of a spherical top gives the expression used in previous spectroscopic studies. Higher orders of perturbation give corrections corresponding to higher centrifugal distortion contributions and are calculated accurately for the first time. Two potential energy surfaces of the literature have been used for solving the anharmonic vibrational problem by means of the vibrational mean field configuration interaction approach. Two corresponding dipole moment surfaces were calculated in this work at a high level of theory. The predicted intensities agree better with recent experimental values than their empirical fit. This suggests that our ab initio dipole moment surface and effective dipole moment operator are both highly accurate.
Effect of quadrupole focusing-field fluctuation on the transverse stability of intense hadron beams in storage rings

NASA Astrophysics Data System (ADS)

Ito, Kiyokazu; Matsuba, Masanori; Okamoto, Hiromi

2018-02-01

A systematic experimental study is performed to clarify the parameter dependence of the noise-induced beam instability previously demonstrated by a Princeton group [M. Chung et al., Phys. Rev. Lett. 102, 145003 (2009)]. Because of the weakness of the driving force, the instability develops very slowly, which substantially limits the application of conventional experimental and numerical techniques. In the present study, a novel tabletop apparatus called "S-POD" (Simulator of Particle Orbit Dynamics) is employed to explore the long-term collective behavior of intense hadron beams. S-POD provides a many-body Coulomb system physically equivalent to a relativistic charged-particle beam and thus enables us to conduct various beam-dynamics experiments without the use of large-scale machines. It is reconfirmed that random noise on the linear beam-focusing potential can be a source of slow beam quality degradation. Experimental observations are explained well by a simple perturbation theory that predicts the existence of a series of dangerous noise frequency bands overlooked in the previous study. Those additional instability bands newly identified with S-POD are more important practically because the driving noise frequencies can be very low. The dependence of the instability on the noise level, operating tune, and beam intensity is examined and found consistent with theoretical predictions.
Increases in the autistic trait of attention to detail are associated with decreased multisensory temporal adaptation.

PubMed

Stevenson, Ryan A; Toulmin, Jennifer K; Youm, Ariana; Besney, Richard M A; Schulz, Samantha E; Barense, Morgan D; Ferber, Susanne

2017-10-30

Recent empirical evidence suggests that autistic individuals perceive the world differently than their typically-developed peers. One theoretical account, the predictive coding hypothesis, posits that autistic individuals show a decreased reliance on previous perceptual experiences, which may relate to autism symptomatology. We tested this through a well-characterized, audiovisual statistical-learning paradigm in which typically-developed participants were first adapted to consistent temporal relationships between audiovisual stimulus pairs (audio-leading, synchronous, visual-leading) and then performed a simultaneity judgement task with audiovisual stimulus pairs varying in temporal offset from auditory-leading to visual-leading. Following exposure to the visual-leading adaptation phase, participants' perception of synchrony was biased towards visual-leading presentations, reflecting the statistical regularities of their previously experienced environment. Importantly, the strength of adaptation was significantly related to the level of autistic traits that the participant exhibited, measured by the Autism Quotient (AQ). This was specific to the Attention to Detail subscale of the AQ that assesses the perceptual propensity to focus on fine-grain aspects of sensory input at the expense of more integrative perceptions. More severe Attention to Detail was related to weaker adaptation. These results support the predictive coding framework, and suggest that changes in sensory perception commonly reported in autism may contribute to autistic symptomatology.

Neuroimaging findings in the at-risk mental state: a review of recent literature.

PubMed

Wood, Stephen J; Reniers, Renate L E P; Heinze, Kareen

2013-01-01

The at-risk mental state (ARMS) has been the subject of much interest during the past 15 years. A great deal of effort has been expended to identify neuroimaging markers that can inform our understanding of the risk state and to help predict who will transition to frank psychotic illness. Recently, there has been an explosion of neuroimaging literature from people with an ARMS, which has meant that reviews and meta-analyses lack currency. Here we review papers published in the past 2 years, and contrast their findings with previous reports. While it is clear that people in the ARMS do show brain alterations when compared with healthy control subjects, there is an overall lack of consistency as to which of these alterations predict the development of psychosis. This problem arises because of variations in methodology (in patient recruitment, region of interest, method of analysis, and functional task employed), but there has also been too little effort put into replicating previous research. Nonetheless, there are areas of promise, notably that activation of the stress system and increased striatal dopamine synthesis seem to mark out patients in the ARMS most at risk for later transition. Future studies should focus on these areas, and on network-level analysis, incorporating graph theoretical approaches and intrinsic connectivity networks.
Crystal study and econometric model

NASA Technical Reports Server (NTRS)

1975-01-01

An econometric model was developed that can be used to predict demand and supply figures for crystals over a time horizon roughly concurrent with that of NASA's Space Shuttle Program - that is, 1975 through 1990. The model includes an equation to predict the impact on investment in the crystal-growing industry. Actually, two models are presented. The first is a theoretical model which follows rather strictly the standard theoretical economic concepts involved in supply and demand analysis, and a modified version of the model was developed which, though not quite as theoretically sound, was testable utilizing existing data sources.
Effect of foam on temperature prediction and heat recovery potential from biological wastewater treatment.

PubMed

Corbala-Robles, L; Volcke, E I P; Samijn, A; Ronsse, F; Pieters, J G

2016-05-15

Heat is an important resource in wastewater treatment plants (WWTPs) which can be recovered. A prerequisite to determine the theoretical heat recovery potential is an accurate heat balance model for temperature prediction. The insulating effect of foam present on the basin surface and its influence on temperature prediction were assessed in this study. Experiments were carried out to characterize the foam layer and its insulating properties. A refined dynamic temperature prediction model, taking into account the effect of foam, was set up. Simulation studies for a WWTP treating highly concentrated (manure) wastewater revealed that the foam layer had a significant effect on temperature prediction (3.8 ± 0.7 K over the year) and thus on the theoretical heat recovery potential (30% reduction when foam is not considered). Seasonal effects on the individual heat losses and heat gains were assessed. Additionally, the effects of the critical basin temperature above which heat is recovered, foam thickness, surface evaporation rate reduction and the non-absorbed solar radiation on the theoretical heat recovery potential were evaluated. Copyright © 2016 Elsevier Ltd. All rights reserved.
A comparison of naïve and sophisticated subject behavior with game theoretic predictions

PubMed Central

McCabe, Kevin A.; Smith, Vernon L.

2000-01-01

We use an extensive form two-person game as the basis for two experiments designed to compare the behavior of two groups of subjects with each other and with the subgame perfect theoretical prediction in an anonymous interaction protocol. The two subject groups are undergraduates and advanced graduate students, the latter having studied economics and game theory. There is no difference in their choice behavior, and both groups depart substantially from game theoretic predictions. We also compare a subsample of the same graduate students with a typical undergraduate sample in an asset trading environment in which inexperienced undergraduates invariably produce substantial departures from the rational expectations prediction. In this way, we examine how robust are the results across two distinct anonymous interactive environments. In the constant sum trading game, the graduate students closely track the predictions of rational theory. Our interpretation is that the graduate student subjects' departure from subgame perfection to achieve cooperative outcomes in the two-person bargaining game is a consequence of a deliberate strategy and is not the result of error or inadequate learning. PMID:10725349
A Theoretical Model for Predicting Fracture Strength and Critical Flaw Size of the ZrB2-ZrC Composites at High Temperatures

NASA Astrophysics Data System (ADS)

Wang, Ruzhuan; Li, Xiaobo; Wang, Jing; Jia, Bi; Li, Weiguo

2018-06-01

This work shows a new rational theoretical model for quantitatively predicting fracture strength and critical flaw size of the ZrB2-ZrC composites at different temperatures, which is based on a new proposed temperature dependent fracture surface energy model and the Griffith criterion. The fracture model takes into account the combined effects of temperature and damage terms (surface flaws and internal flaws) with no any fitting parameters. The predictions of fracture strength and critical flaw size of the ZrB2-ZrC composites at high temperatures agree well with experimental data. Then using the theoretical method, the improvement and design of materials are proposed. The proposed model can be used to predict the fracture strength, find the critical flaw and study the effects of microstructures on the fracture mechanism of the ZrB2-ZrC composites at high temperatures, which thus could become a potential convenient, practical and economical technical means for predicting fracture properties and material design.
Seeking potential anticonvulsant agents that target GABAA receptors using experimental and theoretical procedures

NASA Astrophysics Data System (ADS)

Saavedra-Vélez, Margarita Virginia; Correa-Basurto, José; Matus, Myrna H.; Gasca-Pérez, Eloy; Bello, Martiniano; Cuevas-Hernández, Roberto; García-Rodríguez, Rosa Virginia; Trujillo-Ferrara, José; Ramos-Morales, Fernando Rafael

2014-12-01

The aim of this study was to identify compounds that possess anticonvulsant activity by using a pentylenetetrazol (PTZ)-induced seizure model. Theoretical studies of a set of ligands, explored the binding affinities of the ligands for the GABAA receptor (GABAAR), including some benzodiazepines. The ligands satisfy the Lipinski rules and contain a pharmacophore core that has been previously reported to be a GABAAR activator. To select the ligands with the best physicochemical properties, all of the compounds were analyzed by quantum mechanics and the energies of the highest occupied molecular orbital and lowest unoccupied molecular orbital were determined. Docking calculations between the ligands and the GABAAR were used to identify the complexes with the highest Gibbs binding energies. The identified compound D1 (dibenzo( b,f)(1,4)diazocine-6,11(5H,12H)-dione) was synthesized, experimentally tested, and the GABAAR-D1 complex was submitted to 12-ns-long molecular dynamics (MD) simulations to corroborate the binding conformation obtained by docking techniques. MD simulations were also used to analyze the decomposition of the Gibbs binding energy of the residues involved in the stabilization of the complex. To validate our theoretical results, molecular docking and MD simulations were also performed for three reference compounds that are currently in commercial use: clonazepam (CLZ), zolpidem and eszopiclone. The theoretical results show that the GABAAR-D1, and GABAAR-CLZ complexes bind to the benzodiazepine binding site, share a similar map of binding residues, and have similar Gibbs binding energies and entropic components. Experimental studies using a PTZ-induced seizure model showed that D1 possesses similar activity to CLZ, which corroborates the predicted binding free energy identified by theoretical calculations.
Theoretical performance of foil journal bearings

NASA Technical Reports Server (NTRS)

Carpino, M.; Peng, J.-P.

1991-01-01

A modified forward iteration approach for the coupled solution of foil bearings is presented. The method is used to predict the steady state theoretical performance of a journal type gas bearing constructed from an inextensible shell supported by an elastic foundation. Bending effects are treated as negligible. Finite element methods are used to predict both the foil deflections and the pressure distribution in the gas film.
Aircraft interior noise prediction using a structural-acoustic analogy in NASTRAN modal synthesis

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.; Sullivan, Brenda M.; Marulo, Francesco

1988-01-01

The noise induced inside a cylindrical fuselage model by shaker excitation is investigated theoretically and experimentally. The NASTRAN modal-synthesis program is used in the theoretical analysis, and the predictions are compared with experimental measurements in extensive graphs. Good general agreement is obtained, but the need for further refinements to account for acoustic-cavity damping and structural-acoustic interaction is indicated.
An Experimental and Theoretical Study on Cavitating Propellers.

DTIC Science & Technology

1982-10-01

34 And Identfyp eV &to" nMeeJ cascade flow theoretical supercavitating flow performance prediction method partially cavitating flow supercavitating ...the present work was to develop an analytical tool for predicting the off-design performance of supercavitating propellers over a wide range of...operating conditions. Due to the complex nature of the flow phenomena, a lifting line theory sirply combined with the two-dimensional supercavitating
Prosocial Personality Traits Differentially Predict Egalitarianism, Generosity, and Reciprocity in Economic Games

PubMed Central

Zhao, Kun; Ferguson, Eamonn; Smillie, Luke D.

2016-01-01

Recent research has highlighted the role of prosocial personality traits—agreeableness and honesty-humility—in egalitarian distributions of wealth in the dictator game. Expanding on these findings, we ran two studies to examine individual differences in two other forms of prosociality—generosity and reciprocity—with respect to two major models of personality, the Big Five and the HEXACO. Participants (combined N = 560) completed a series of economic games in which allocations in the dictator game were compared with those in the generosity game, a non-constant-sum wealth distribution task where proposers with fixed payoffs selected the size of their partner’s payoff (“generosity”). We further examined positive and negative reciprocity by manipulating a partner’s previous move (“reciprocity”). Results showed clear evidence of both generosity and positive reciprocity in social preferences, with allocations to a partner greater in the generosity game than in the dictator game, and greater still when a player had been previously assisted by their partner. There was also a consistent interaction with gender, whereby men were more generous when this was costless and women were more egalitarian overall. Furthermore, these distinct forms of prosociality were differentially predicted by personality traits, in line with the core features of these traits and the theoretical distinctions between them. HEXACO honesty-humility predicted dictator, but not generosity allocations, while traits capturing tendencies toward irritability and anger predicted lower generosity, but not dictator allocations. In contrast, the politeness—but not compassion—aspect of Big Five agreeableness was uniquely and broadly associated with prosociality across all games. These findings support the discriminant validity between related prosocial constructs, and have important implications for understanding the motives and mechanisms taking place within economic games. PMID:27555824
Prosocial Personality Traits Differentially Predict Egalitarianism, Generosity, and Reciprocity in Economic Games.

PubMed

Zhao, Kun; Ferguson, Eamonn; Smillie, Luke D

2016-01-01

Recent research has highlighted the role of prosocial personality traits-agreeableness and honesty-humility-in egalitarian distributions of wealth in the dictator game. Expanding on these findings, we ran two studies to examine individual differences in two other forms of prosociality-generosity and reciprocity-with respect to two major models of personality, the Big Five and the HEXACO. Participants (combined N = 560) completed a series of economic games in which allocations in the dictator game were compared with those in the generosity game, a non-constant-sum wealth distribution task where proposers with fixed payoffs selected the size of their partner's payoff ("generosity"). We further examined positive and negative reciprocity by manipulating a partner's previous move ("reciprocity"). Results showed clear evidence of both generosity and positive reciprocity in social preferences, with allocations to a partner greater in the generosity game than in the dictator game, and greater still when a player had been previously assisted by their partner. There was also a consistent interaction with gender, whereby men were more generous when this was costless and women were more egalitarian overall. Furthermore, these distinct forms of prosociality were differentially predicted by personality traits, in line with the core features of these traits and the theoretical distinctions between them. HEXACO honesty-humility predicted dictator, but not generosity allocations, while traits capturing tendencies toward irritability and anger predicted lower generosity, but not dictator allocations. In contrast, the politeness-but not compassion-aspect of Big Five agreeableness was uniquely and broadly associated with prosociality across all games. These findings support the discriminant validity between related prosocial constructs, and have important implications for understanding the motives and mechanisms taking place within economic games.
Iontophoretic transport of oligonucleotides across human epidermal membrane: a study of the Nernst-Planck model.

PubMed

Li, S K; Ghanem, A H; Teng, C L; Hardee, G E; Higuchi, W I

2001-07-01

The objective of this study was to investigate the transport behavior of a series of oligonucleotides with human epidermal membrane (HEM) and to examine the applicability of the modified NERNST-PLANCK model to transdermal iontophoresis of these macromolecules. Iontophoretic transport experiments were first carried out in a synthetic model membrane system (Nuclepore membranes) with a four-electrode potentiostat to examine the baseline modified NERNST-PLANCK model. The modified NERNST-PLANCK model derived from the Einstein relation and the Stokes-Einstein equation taken from previous work did not hold for the oligonucleotides. Results obtained in the Nuclepore studies were, however, consistent with predictions of the modified NERNST-PLANCK model using the experimentally determined electromobilities and diffusion coefficients. The electromobilities of the oligonucleotides (determined by capillary electrophoresis) were found to be more than a factor of two smaller than expected from the Einstein relation between electromobilities and diffusion coefficients (the latter determined in diffusion cell experiments). A correlation between these electromobilities and the theoretical electromobilities estimated by considering the effects of counterion binding and the effects of mobility reduction according to colloid theory was also observed. These results suggest that the modified NERNST-PLANCK model predictions are satisfactory only when the electromobilities and the effective molecular size of the oligonucleotides are known and are used directly to predict the iontophoretically enhanced transport. Results with the HEM experiments generally agreed with model predictions based on the experimental electromobilities. The oligonucleotide HEM flux data also suggest the existence of pores with effective pore radii greater than the effective radii estimated in previous studies with small molecular weight model permeants.
An MEG signature corresponding to an axiomatic model of reward prediction error.

PubMed

Talmi, Deborah; Fuentemilla, Lluis; Litvak, Vladimir; Duzel, Emrah; Dolan, Raymond J

2012-01-02

Optimal decision-making is guided by evaluating the outcomes of previous decisions. Prediction errors are theoretical teaching signals which integrate two features of an outcome: its inherent value and prior expectation of its occurrence. To uncover the magnetic signature of prediction errors in the human brain we acquired magnetoencephalographic (MEG) data while participants performed a gambling task. Our primary objective was to use formal criteria, based upon an axiomatic model (Caplin and Dean, 2008a), to determine the presence and timing profile of MEG signals that express prediction errors. We report analyses at the sensor level, implemented in SPM8, time locked to outcome onset. We identified, for the first time, a MEG signature of prediction error, which emerged approximately 320 ms after an outcome and expressed as an interaction between outcome valence and probability. This signal followed earlier, separate signals for outcome valence and probability, which emerged approximately 200 ms after an outcome. Strikingly, the time course of the prediction error signal, as well as the early valence signal, resembled the Feedback-Related Negativity (FRN). In simultaneously acquired EEG data we obtained a robust FRN, but the win and loss signals that comprised this difference wave did not comply with the axiomatic model. Our findings motivate an explicit examination of the critical issue of timing embodied in computational models of prediction errors as seen in human electrophysiological data. Copyright © 2011 Elsevier Inc. All rights reserved.
A Long Short-Term Memory deep learning network for the prediction of epileptic seizures using EEG signals.

PubMed

Tsiouris, Κostas Μ; Pezoulas, Vasileios C; Zervakis, Michalis; Konitsiotis, Spiros; Koutsouris, Dimitrios D; Fotiadis, Dimitrios I

2018-05-17

The electroencephalogram (EEG) is the most prominent means to study epilepsy and capture changes in electrical brain activity that could declare an imminent seizure. In this work, Long Short-Term Memory (LSTM) networks are introduced in epileptic seizure prediction using EEG signals, expanding the use of deep learning algorithms with convolutional neural networks (CNN). A pre-analysis is initially performed to find the optimal architecture of the LSTM network by testing several modules and layers of memory units. Based on these results, a two-layer LSTM network is selected to evaluate seizure prediction performance using four different lengths of preictal windows, ranging from 15 min to 2 h. The LSTM model exploits a wide range of features extracted prior to classification, including time and frequency domain features, between EEG channels cross-correlation and graph theoretic features. The evaluation is performed using long-term EEG recordings from the open CHB-MIT Scalp EEG database, suggest that the proposed methodology is able to predict all 185 seizures, providing high rates of seizure prediction sensitivity and low false prediction rates (FPR) of 0.11-0.02 false alarms per hour, depending on the duration of the preictal window. The proposed LSTM-based methodology delivers a significant increase in seizure prediction performance compared to both traditional machine learning techniques and convolutional neural networks that have been previously evaluated in the literature. Copyright © 2018 Elsevier Ltd. All rights reserved.
Factors Associated with Trial of Labour and Mode of Delivery in Robson Group 5: A Select Group of Women With Previous Caesarean Section.

PubMed

Smithies, Mila; Woolcott, Christy G; Brock, Jo-Ann K; Maguire, Bryan; Allen, Victoria M

2018-06-01

To determine the proportion of women in Robson group 5 (RG5) who were eligible for a trial of labour after Caesarean (TOLAC) and, among eligible candidates, identify determinants of having a TOLAC and subsequent vaginal delivery (VD). This population-based cohort study used data derived from the Nova Scotia Atlee Perinatal Database. Deliveries from 1998-2014 to women in RG5 (≥1 previous CS with a singleton term cephalic fetus) were included. Eligibility for a TOLAC was based on SOGC criteria. Multivariable logistic regression was used to identify characteristics independently associated with TOLAC and VD. The characteristics associated with VD were used in a logistic model to predict the theoretical probability of VD in women who did not have a TOLAC. Of the 15 111 deliveries in RG5, 75.3% were by CS. Of the 14 763 eligible women, 5488 (37.2%) had a TOLAC, of which 3739 (68.1%) resulted in VD. Predictors of VD included high area-level income and either a CS without labour or a spontaneous VD in the preceding pregnancy. While mode of previous delivery also predicted TOLAC among eligible women, high area-level income was associated with reduced odds of TOLAC. The probability of VD in women who did not undergo TOLAC was estimated to be 47.1%, and the lowest CS rate attainable in RG5 was estimated at 46.3%. Sociodemographic factors such as income and previous mode of delivery were associated with the rates of TOLAC and subsequent VD in eligible women, and suggest that the Caesarean section rate in RG5 could be safely reduced. Copyright © 2018 Society of Obstetricians and Gynaecologists of Canada. Published by Elsevier Inc. All rights reserved.
The Shutdown Dissociation Scale (Shut-D)

PubMed Central

Schalinski, Inga; Schauer, Maggie; Elbert, Thomas

2015-01-01

The evolutionary model of the defense cascade by Schauer and Elbert (2010) provides a theoretical frame for a short interview to assess problems underlying and leading to the dissociative subtype of posttraumatic stress disorder. Based on known characteristics of the defense stages “fright,” “flag,” and “faint,” we designed a structured interview to assess the vulnerability for the respective types of dissociation. Most of the scales that assess dissociative phenomena are designed as self-report questionnaires. Their items are usually selected based on more heuristic considerations rather than a theoretical model and thus include anything from minor dissociative experiences to major pathological dissociation. The shutdown dissociation scale (Shut-D) was applied in several studies in patients with a history of multiple traumatic events and different disorders that have been shown previously to be prone to symptoms of dissociation. The goal of the present investigation was to obtain psychometric characteristics of the Shut-D (including factor structure, internal consistency, retest reliability, predictive, convergent and criterion-related concurrent validity). A total population of 225 patients and 68 healthy controls were accessed. Shut-D appears to have sufficient internal reliability, excellent retest reliability, high convergent validity, and satisfactory predictive validity, while the summed score of the scale reliably separates patients with exposure to trauma (in different diagnostic groups) from healthy controls. The Shut-D is a brief structured interview for assessing the vulnerability to dissociate as a consequence of exposure to traumatic stressors. The scale demonstrates high-quality psychometric properties and may be useful for researchers and clinicians in assessing shutdown dissociation as well as in predicting the risk of dissociative responding. PMID:25976478
Child Maltreatment and Autonomic Nervous System Reactivity: Identifying Dysregulated Stress Reactivity Patterns using the Biopsychosocial Model of Challenge and Threat

PubMed Central

McLaughlin, Katie A.; Sheridan, Margaret A.; Alves, Sonia; Mendes, Wendy Berry

2014-01-01

OBJECTIVE Disruptions in stress response system development have been posited as mechanisms linking child maltreatment (CM) to psychopathology. Existing theories predict elevated sympathetic nervous system (SNS) reactivity following CM, but evidence for this is inconsistent. We present a novel framework for conceptualizing stress reactivity following CM using the biopsychosocial model of challenge and threat. We predicted that in the context of a social-evaluative stressor, maltreated adolescents would exhibit a threat pattern of reactivity, involving SNS activation paired with elevated vascular resistance and blunted cardiac output (CO) reactivity. METHODS A sample of 168 adolescents (mean age=14.9 years) participated. Recruitment targeted maltreated adolescents; 38.2% qualified as maltreated. Electrocardiogram, impedance cardiography, and blood pressure were acquired at rest and during an evaluated social stressor (Trier Social Stress Test). Pre-ejection period (PEP), CO, and total peripheral resistance (TPR) reactivity were computed during task preparation, speech-delivery, and verbal mental-arithmetic. Internalizing and externalizing symptoms were assessed. RESULTS Maltreatment was unrelated to PEP reactivity during preparation or speech, but maltreated adolescents had reduced PEP reactivity during math. Maltreatment exposure (F(1,145)=3.8-9.4, p=.053-<.001) and severity (β=−.10-.12, p=.030-.007) were associated with significantly reduced CO reactivity during all components of the stress-task and marginally associated with elevated TPR reactivity (F(1,145)=3.8-9.4, p=.053-<.001; β=.07-.11, p=.11-.009, respectively). Threat reactivity was negatively associated with externalizing symptoms. CONCLUSIONS Child maltreatment is associated with a dysregulated pattern of physiological reactivity consistent with theoretical conceptualizations of threat but not previously examined in relation to maltreatment, suggesting a more nuanced pattern of stress reactivity than predicted by current theoretical models. PMID:25170753
Constraints on the gluon PDF from top quark pair production at hadron colliders

NASA Astrophysics Data System (ADS)

Czakon, Michal; Mangano, Michelangelo L.; Mitov, Alexander; Rojo, Juan

2013-07-01

Using the recently derived NNLO cross sections [1], we provide NNLO+NNLL theoretical predictions for top quark pair production based on all the available NNLO PDF sets, and compare them with the most precise LHC and Tevatron data. In this comparison we study in detail the PDF uncertainty and the scale, m t and α s dependence of the theoretical predictions for each PDF set. Next, we observe that top quark pair production provides a powerful direct constraint on the gluon PDF at large x, and include Tevatron and LHC top pair data consistently into a global NNLO PDF fit. We then explore the phenomenological consequences of the reduced gluon PDF uncertainties, by showing how they can improve predictions for Beyond the Standard Model processes at the LHC. Finally, we update to full NNLO+NNLL the theoretical predictions for the ratio of top quark cross sections between different LHC center of mass energies, as well as the cross sections for hypothetical heavy fourth-generation quark production at the LHC.
A prediction model for the effective thermal conductivity of nanofluids considering agglomeration and the radial distribution function of nanoparticles

NASA Astrophysics Data System (ADS)

Zheng, Z. M.; Wang, B.

2018-06-01

Conventional heat transfer fluids usually have low thermal conductivity, limiting their efficiency in many applications. Many experiments have shown that adding nanosize solid particles to conventional fluids can greatly enhance their thermal conductivity. To explain this anomalous phenomenon, many theoretical investigations have been conducted in recent years. Some of this research has indicated that the particle agglomeration effect that commonly occurs in nanofluids should play an important role in such enhancement of the thermal conductivity, while some have shown that the enhancement of the effective thermal conductivity might be accounted for by the structure of nanofluids, which can be described using the radial distribution function of particles. However, theoretical predictions from these studies are not in very good agreement with experimental results. This paper proposes a prediction model for the effective thermal conductivity of nanofluids, considering both the agglomeration effect and the radial distribution function of nanoparticles. The resulting theoretical predictions for several sets of nanofluids are highly consistent with experimental data.
Evidence-based selection of theories for designing behaviour change interventions: using methods based on theoretical construct domains to understand clinicians' blood transfusion behaviour.

PubMed

Francis, Jill J; Stockton, Charlotte; Eccles, Martin P; Johnston, Marie; Cuthbertson, Brian H; Grimshaw, Jeremy M; Hyde, Chris; Tinmouth, Alan; Stanworth, Simon J

2009-11-01

Many theories of behaviour are potentially relevant to predictive and intervention studies but most studies investigate a narrow range of theories. Michie et al. (2005) agreed 12 'theoretical domains' from 33 theories that explain behaviour change. They developed a 'Theoretical Domains Interview' (TDI) for identifying relevant domains for specific clinical behaviours, but the framework has not been used for selecting theories for predictive studies. It was used here to investigate clinicians' transfusion behaviour in intensive care units (ICU). Evidence suggests that red blood cells transfusion could be reduced for some patients without reducing quality of care. (1) To identify the domains relevant to transfusion practice in ICUs and neonatal intensive care units (NICUs), using the TDI. (2) To use the identified domains to select appropriate theories for a study predicting transfusion behaviour. An adapted TDI about managing a patient with borderline haemoglobin by watching and waiting instead of transfusing red blood cells was used to conduct semi-structured, one-to-one interviews with 18 intensive care consultants and neonatologists across the UK. Relevant theoretical domains were: knowledge, beliefs about capabilities, beliefs about consequences, social influences, behavioural regulation. Further analysis at the construct level resulted in selection of seven theoretical approaches relevant to this context: Knowledge-Attitude-Behaviour Model, Theory of Planned Behaviour, Social Cognitive Theory, Operant Learning Theory, Control Theory, Normative Model of Work Team Effectiveness and Action Planning Approaches. This study illustrated, the use of the TDI to identify relevant domains in a complex area of inpatient care. This approach is potentially valuable for selecting theories relevant to predictive studies and resulted in greater breadth of potential explanations than would be achieved if a single theoretical model had been adopted.

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

Yang, X. H.; Fu, J. N.; Zha, Q., E-mail: jnfu@bnu.edu.cn

Time-series photometric observations were made for the SX Phoenicis star XX Cyg between 2007 and 2011 at the Xinglong Station of National Astronomical Observatories of China. With the light curves derived from the new observations, we do not detect any secondary maximum in the descending portion of the light curves of XX Cyg, as reported in some previous work. Frequency analysis of the light curves confirms a fundamental frequency f{sub 0} = 7.4148 cycles day{sup -1} and up to 19 harmonics, 11 of which are newly detected. However, no secondary mode of pulsation is detected from the light curves. Themore » O-C diagram, produced from 46 newly determined times of maximum light combined with those derived from the literature, reveals a continuous period increase with the rate of (1/P)(dP/dt) = 1.19(13) Multiplication-Sign 10{sup -8} yr{sup -1}. Theoretical rates of period change due to the stellar evolution were calculated with a modeling code. The result shows that the observed rate of period change is fully consistent with period change caused by evolutionary behavior predicted by standard theoretical models.« less
A theoretical and practical test of geographical profiling with serial vehicle theft in a U.K. context.

PubMed

Tonkin, Matthew; Woodhams, Jessica; Bond, John W; Loe, Trudy

2010-01-01

Geographical profiling is an investigative methodology sometimes employed by the police to predict the residence of an unknown offender from the locations of his/her crimes. The validity of geographical profiling, however, has not been fully explored for certain crime types. This study, therefore, presents a preliminary test of the potential for geographical profiling with a sample of 145 serial vehicle thieves from the U.K. The behavioural assumptions underlying geographical profiling (distance decay and domocentricity) are tested and a simple practical test of profiling using the spatial mean is presented. There is evidence for distance decay but not domocentricity among the spatial behaviour of car thieves from the U.K. A degree of success was achieved when applying the spatial mean on a case-by-case basis. The level of success varied, however, and neither series length in days nor number of crimes could account for the variation. The findings question previously held assumptions regarding geographical profiling and have potential theoretical and practical implications for the study and investigation of vehicle theft in the U.K. 2009 John Wiley & Sons, Ltd.
The free-energy self: a predictive coding account of self-recognition.

PubMed

Apps, Matthew A J; Tsakiris, Manos

2014-04-01

Recognising and representing one's self as distinct from others is a fundamental component of self-awareness. However, current theories of self-recognition are not embedded within global theories of cortical function and therefore fail to provide a compelling explanation of how the self is processed. We present a theoretical account of the neural and computational basis of self-recognition that is embedded within the free-energy account of cortical function. In this account one's body is processed in a Bayesian manner as the most likely to be "me". Such probabilistic representation arises through the integration of information from hierarchically organised unimodal systems in higher-level multimodal areas. This information takes the form of bottom-up "surprise" signals from unimodal sensory systems that are explained away by top-down processes that minimise the level of surprise across the brain. We present evidence that this theoretical perspective may account for the findings of psychological and neuroimaging investigations into self-recognition and particularly evidence that representations of the self are malleable, rather than fixed as previous accounts of self-recognition might suggest. Copyright © 2013 Elsevier Ltd. All rights reserved.
MHD Modeling of the Sympathetic Eruptions Observed on August 1, 2010

NASA Astrophysics Data System (ADS)

Mikic, Z.; Torok, T.; Titov, V. S.; Downs, C.; Linker, J.; Lionello, R.; Riley, P.

2013-12-01

The multiple solar eruptions observed by SDO on August 1, 2010 present a special challenge to theoretical models of CME initiation. SDO captured in detail a remarkable chain of sympathetic eruptions that involved the entire visible hemisphere of the Sun (Schrijver et al. 2011). It consisted of several flares and six filament eruptions/CMEs, and triggered a geomagnetic storm on August 3 (de Toma et al. 2010). This series of eruptions was also observed by the two STEREO spacecraft. This collection of observations presents a unique opportunity to understand sympathetic eruptions theoretically. We have previously simulated the three principal filament eruptions (and their associated CMEs) that characterized this event. We have had some success in reproducing their observed synchronicity. We will present further simulations that attempt to get a better match with observations. Such simulations will help us to understand the possible mechanisms by which the various filament eruptions/CMEs may be linked. The modeling of such events is very useful for incorporation into future space weather prediction models. Research supported by NASA's Heliophysics Theory and Living With a Star Programs, and NSF/FESD.
Theoretical modeling of the electronic structure and exchange interactions in Cu(II)Pc

NASA Astrophysics Data System (ADS)

Wu, Wei; Fisher, A. J.; Harrison, N. M.; Wang, Hai; Wu, Zhenlin; Gardener, Jules; Heutz, Sandrine; Jones, Tim; Aeppli, Gabriel

2012-12-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine (Cu(II)Pc) crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green's function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α- and β-phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.
Theoretical modeling of the electronic structure and exchange interactions in a Cu(II)Pc one-dimensional chain

NASA Astrophysics Data System (ADS)

Wu, Wei; Fisher, A. J.; Harrison, N. M.

2011-07-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine [Cu(II)Pc] crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green’s function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap, and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α and β phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.
Gold atoms and clusters on MgO(100) films; an EPR and IRAS study

NASA Astrophysics Data System (ADS)

Yulikov, M.; Sterrer, M.; Risse, T.; Freund, H.-J.

2009-06-01

Single gold atoms deposited on single crystalline MgO(1 0 0) films grown on Mo(1 0 0) are characterized by electron paramagnetic resonance spectroscopy as well as IR spectroscopy using CO as probe molecules. In this article we describe the first angular dependent measurements to determine the principal hyperfine components of a secondary hyperfine interaction, namely, with 17O of the MgO. The values determined here are in perfect agreement with theoretical expectations and corroborate the previously reported binding mechanism of Au atoms on the oxygen anions of the MgO terrace. The temperature dependent EPR data reveal an onset of Au atom mobility at about 80 K while the formation of Au particles occurs only above 125 K. By an analysis of the EPR line width in combination with STM measurements it is possible to deduce an increase of the interatomic distance above 80 K. The Au/CO complexes show a somewhat smaller temperature stability as compared to the Au atoms. The observed thermal stability is in perfect agreement with theoretical predictions for CO desorption.
Abnormal patterns of displacement activities: a review and reinterpretation.

PubMed

Anselme, Patrick

2008-09-01

A series of important theoretical contributions flourished in the years 1950-1970 about displacement activities -- those 'out-of-context' actions expressed by organisms in stressful situations. Nothing really new has appeared thereafter. Although the models address different issues, such as causal factors of displacement, it appears obvious that they do not provide a unified (coherent) approach; they often explain the same phenomena using very different means and turn out to be contradictory on several points. In addition, some problems currently remain unsolved, especially concerning the fact that displacement activities exhibit 'abnormalities' of expression in comparison with the same activities performed in usual context. Each model is here described and criticized in order to evaluate its explanatory power and allow the identification of specific limits. A new, integrative model -- the Anticipatory Dynamics Model (or ADM) -- then attempts to overcome the failures of previous models. The ADM suggests that abnormal patterns of displacement activities result from attentional interference caused by a thwarting experience or conflicting motivations. At least one theoretical prediction of the ADM can be differentiated from that of any other model.
Probabilistic Cellular Automata

PubMed Central

Agapie, Alexandru; Giuclea, Marius

2014-01-01

Abstract Cellular automata are binary lattices used for modeling complex dynamical systems. The automaton evolves iteratively from one configuration to another, using some local transition rule based on the number of ones in the neighborhood of each cell. With respect to the number of cells allowed to change per iteration, we speak of either synchronous or asynchronous automata. If randomness is involved to some degree in the transition rule, we speak of probabilistic automata, otherwise they are called deterministic. With either type of cellular automaton we are dealing with, the main theoretical challenge stays the same: starting from an arbitrary initial configuration, predict (with highest accuracy) the end configuration. If the automaton is deterministic, the outcome simplifies to one of two configurations, all zeros or all ones. If the automaton is probabilistic, the whole process is modeled by a finite homogeneous Markov chain, and the outcome is the corresponding stationary distribution. Based on our previous results for the asynchronous case—connecting the probability of a configuration in the stationary distribution to its number of zero-one borders—the article offers both numerical and theoretical insight into the long-term behavior of synchronous cellular automata. PMID:24999557
Probabilistic cellular automata.

PubMed

Agapie, Alexandru; Andreica, Anca; Giuclea, Marius

2014-09-01

Cellular automata are binary lattices used for modeling complex dynamical systems. The automaton evolves iteratively from one configuration to another, using some local transition rule based on the number of ones in the neighborhood of each cell. With respect to the number of cells allowed to change per iteration, we speak of either synchronous or asynchronous automata. If randomness is involved to some degree in the transition rule, we speak of probabilistic automata, otherwise they are called deterministic. With either type of cellular automaton we are dealing with, the main theoretical challenge stays the same: starting from an arbitrary initial configuration, predict (with highest accuracy) the end configuration. If the automaton is deterministic, the outcome simplifies to one of two configurations, all zeros or all ones. If the automaton is probabilistic, the whole process is modeled by a finite homogeneous Markov chain, and the outcome is the corresponding stationary distribution. Based on our previous results for the asynchronous case-connecting the probability of a configuration in the stationary distribution to its number of zero-one borders-the article offers both numerical and theoretical insight into the long-term behavior of synchronous cellular automata.
Externalizing behavior from early childhood to adolescence: Prediction from inhibition, language, parenting, and attachment.

PubMed

Roskam, Isabelle

2018-03-22

The aim of the current research was to disentangle four theoretically sound models of externalizing behavior etiology (i.e., attachment, language, inhibition, and parenting) by testing their relation with behavioral trajectories from early childhood to adolescence. The aim was achieved through a 10-year prospective longitudinal study conducted over five waves with 111 referred children aged 3 to 5 years at the onset of the study. Clinical referral was primarily based on externalizing behavior. A multimethod (questionnaires, testing, and observations) approach was used to estimate the four predictors in early childhood. In line with previous studies, the results show a significant decrease of externalizing behavior from early childhood to adolescence. The decline was negatively related to mothers' coercive parenting and positively related to attachment security in early childhood, but not related to inhibition and language. The study has implications for research into externalizing behavior etiology recommending to gather hypotheses from various theoretically sound models to put them into competition with one another. The study also has implications for clinical practice by providing clear indications for prevention and early intervention.
Harmonic and reactive behavior of the quasiparticle tunnel current in SIS junctions

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

Rashid, H., E-mail: hawal@chalmers.se; Desmaris, V.; Pavolotsky, A.

In this paper, we show theoretically and experimentally that the reactive quasiparticle tunnel current of the superconductor tunnel junction could be directly measured at specific bias voltages for the higher harmonics of the quasiparticle tunnel current. We used the theory of quasiparticle tunneling to study the higher harmonics of the quasiparticle tunnel current in superconducting tunnel junction in the presence of rf irradiation. The impact of the reactive current on the harmonic behavior of the quasiparticle tunnel current was carefully studied by implementing a practical model with four parameters to model the dc I-V characteristics of the superconducting tunnel junction.more » The measured reactive current at the specific bias voltage is in good agreement with our theoretically calculated reactive current through the Kramers-Kronig transform. This study also shows that there is an excellent correspondence between the behavior of the predicted higher harmonics using the previously established theory of quasiparticle tunnel current in superconducting tunnel junctions by J.R. Tucker and M.J. Feldman and the measurements presented in this paper.« less
The free-energy self: A predictive coding account of self-recognition

PubMed Central

Apps, Matthew A.J.; Tsakiris, Manos

2013-01-01

Recognising and representing one’s self as distinct from others is a fundamental component of self-awareness. However, current theories of self-recognition are not embedded within global theories of cortical function and therefore fail to provide a compelling explanation of how the self is processed. We present a theoretical account of the neural and computational basis of self-recognition that is embedded within the free-energy account of cortical function. In this account one’s body is processed in a Bayesian manner as the most likely to be “me”. Such probabilistic representation arises through the integration of information from hierarchically organised unimodal systems in higher-level multimodal areas. This information takes the form of bottom-up “surprise” signals from unimodal sensory systems that are explained away by top-down processes that minimise the level of surprise across the brain. We present evidence that this theoretical perspective may account for the findings of psychological and neuroimaging investigations into self-recognition and particularly evidence that representations of the self are malleable, rather than fixed as previous accounts of self-recognition might suggest. PMID:23416066
Kinetics and equilibrium of solute diffusion into human hair.

PubMed

Wang, Liming; Chen, Longjian; Han, Lujia; Lian, Guoping

2012-12-01

The uptake kinetics of five molecules by hair has been measured and the effects of pH and physical chemical properties of molecules were investigated. A theoretical model is proposed to analyze the experimental data. The results indicate that the binding affinity of solute to hair, as characterized by hair-water partition coefficient, scales to the hydrophobicity of the solute and decreases dramatically as the pH increases to the dissociation constant. The effective diffusion coefficient of solute depended not only on the molecular size as most previous studies suggested, but also on the binding affinity as well as solute dissociation. It appears that the uptake of molecules by hair is due to both hydrophobic interaction and ionic charge interaction. Based on theoretical considerations of the cellular structure, composition and physical chemical properties of hair, quantitative-structure-property-relationships (QSPR) have been proposed to predict the hair-water partition coefficient (PC) and the effective diffusion coefficient (D (e)) of solute. The proposed QSPR models fit well with the experimental data. This paper could be taken as a reference for investigating the adsorption properties for polymeric materials, fibres, and biomaterials.
Electrical conductivity of metal powders under pressure

NASA Astrophysics Data System (ADS)

Montes, J. M.; Cuevas, F. G.; Cintas, J.; Urban, P.

2011-12-01

A model for calculating the electrical conductivity of a compressed powder mass consisting of oxide-coated metal particles has been derived. A theoretical tool previously developed by the authors, the so-called `equivalent simple cubic system', was used in the model deduction. This tool is based on relating the actual powder system to an equivalent one consisting of deforming spheres packed in a simple cubic lattice, which is much easier to examine. The proposed model relates the effective electrical conductivity of the powder mass under compression to its level of porosity. Other physically measurable parameters in the model are the conductivities of the metal and oxide constituting the powder particles, their radii, the mean thickness of the oxide layer and the tap porosity of the powder. Two additional parameters controlling the effect of the descaling of the particle oxide layer were empirically introduced. The proposed model was experimentally verified by measurements of the electrical conductivity of aluminium, bronze, iron, nickel and titanium powders under pressure. The consistency between theoretical predictions and experimental results was reasonably good in all cases.
Analysis of the Rotational Structure of ˜{B}^2A' ← ˜{X}^2A' Transition of Isopropoxy Radical: Isolated State vs. Coupled States Model

NASA Astrophysics Data System (ADS)

Melnik, Dmitry G.; Miller, Terry A.; Liu, Jinjun

2013-06-01

Isopropoxy radicals are reactive intermediates in atmospheric and combustion chemistry. From the theoretical point of view, they represent an extreme case of ``isotopically'' substituted methoxy radicals with two methyl groups playing the role of heavy hydrogen isotopes. Previously the rotationally resolved spectra of ˜{B}^2A' ← ˜{X}^2A' electronic transition were successfully analyzed using a simple effective rotational Hamiltonian of the isolated ˜{X} and ˜{B} states. However, a number of the experimentally determined parameters appeared dramatically inconsistent with the quantum chemistry calculations and theoretical predictions based on the symmetry arguments. Recently, we analyzed these spectra using a coupled two state model, which explicitly includes interactions between the ground ˜{X}^2A' state and low-lying excited ˜{A}^2A^'' state. In this presentation we will discuss the results of this analysis and compare the parameters of both models and their physical significance. D. G. Melnik, T. A. Miller and J. Liu, TI15, 67^{th Molecular Spectroscopy Symposium}, Columbus, 2012
Surface reconstruction of InAs (001) depending on the pressure and temperature examined by density functional thermodynamics.

PubMed

Yeu, In Won; Park, Jaehong; Han, Gyuseung; Hwang, Cheol Seong; Choi, Jung-Hae

2017-09-06

A detailed understanding of the atomic configuration of the compound semiconductor surface, especially after reconstruction, is very important for the device fabrication and performance. While there have been numerous experimental studies using the scanning probe techniques, further theoretical studies on surface reconstruction are necessary to promote the clear understanding of the origins and development of such subtle surface structures. In this work, therefore, a pressure-temperature surface reconstruction diagram was constructed for the model case of the InAs (001) surface considering both the vibrational entropy and configurational entropy based on the density functional theory. Notably, the equilibrium fraction of various reconstructions was determined as a function of the pressure and temperature, not as a function of the chemical potential, which largely facilitated the direct comparison with the experiments. By taking into account the entropy effects, the coexistence of the multiple reconstructions and the fractional change of each reconstruction by the thermodynamic condition were predicted and were in agreement with the previous experimental observations. This work provides the community with a useful framework for such type of theoretical studies.
Ion Acoustic Wave Frequencies and Onset Times During Type 3 Solar Radio Bursts

NASA Technical Reports Server (NTRS)

Cairns, Iver H.; Robinson, P. A.

1995-01-01

Conflicting interpretations exist for the low-frequency ion acoustic (S) waves often observed by ISEE 3 in association with intense Langmuir (L) waves in the source regions of type III solar radio bursts near 1 AU. Two indirect lines of observational evidence, as well as plasma theory, suggest they are produced by the electrostatic (ES) decay L yields L(PRIME) + S. However, contrary to theoretical predictions, an existing analysis of the wave frequencies instead favors the electromagnetic (EM) decays L yields T + S, where T denotes an EM wave near the plasma frequency. This conflict is addressed here by comparing the observed wave frequencies and onset times with theoretical predictions for the ES and EM decays, calculated using the time-variable electron beam and magnetic field orientation data, rather than the nominal values used previously. Field orientation effects and beam speed variations are shown analytically to produce factor-of-three effects, greater than the difference in wave frequencies predicted for the ES and EM decays; effects of similar magnitude occur in the events analyzed here. The S-wave signals are extracted by hand from a sawtooth noise background, greatly improving the association between S waves and intense L waves. Very good agreement exists between the time-varying predictions for the ES decay and the frequencies of most (but not all) wave bursts. The waves occur only after the ES decay becomes kinematically allowed, which is consistent with the ES decay proceeding and producing most of the observed signals. Good agreement exists between the EM decay's predictions and a significant fraction of the S-wave observations while the EM decay is kinematically allowed. The wave data are not consistent, however, with the EM decay being the dominant nonlinear process. Often the observed waves are sufficiently broadband to overlap simultaneously the frequency ranges predicted for the ES and EM decays. Coupling the dominance of the ES decay with this frequency overlap provides support for a previous suggestion that fundamental emission occurs when the EM decay is stimulated by the ES decay product waves. The periods in which the ES and EM decays produce observable S waves are consistent with the observed and (independently) predicted times of fundamental and harmonic radio emission. This supports interpretation of fundamental emission as stimulated EM decay and harmonic emission as the coalescence L + L(prime) yields T of beam-generated L waves and L(prime) waves produced by the ES decay, where T denotes an electromagnetic wave at twice the plasma frequency. Analysis of the electron beam data reveals that the time-varying beam speed is consistent with ballistic beam propagation with minimal energy loss, implying that the beam propagates in a state close to time- and volume-averaged marginal stability. This confirms a central tenet of the stochastic growth theory for type III bursts.
Prediction of enzyme classes from 3D structure: a general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins.

PubMed

Concu, Riccardo; Dea-Ayuela, Maria A; Perez-Montoto, Lazaro G; Bolas-Fernández, Francisco; Prado-Prado, Francisco J; Podda, Gianni; Uriarte, Eugenio; Ubeira, Florencio M; González-Díaz, Humberto

2009-09-01

The number of protein and peptide structures included in Protein Data Bank (PDB) and Gen Bank without functional annotation has increased. Consequently, there is a high demand for theoretical models to predict these functions. Here, we trained and validated, with an external set, a Markov Chain Model (MCM) that classifies proteins by their possible mechanism of action according to Enzyme Classification (EC) number. The methodology proposed is essentially new, and enables prediction of all EC classes with a single equation without the need for an equation for each class or nonlinear models with multiple outputs. In addition, the model may be used to predict whether one peptide presents a positive or negative contribution of the activity of the same EC class. The model predicts the first EC number for 106 out of 151 (70.2%) oxidoreductases, 178/178 (100%) transferases, 223/223 (100%) hydrolases, 64/85 (75.3%) lyases, 74/74 (100%) isomerases, and 100/100 (100%) ligases, as well as 745/811 (91.9%) nonenzymes. It is important to underline that this method may help us predict new enzyme proteins or select peptide candidates that improve enzyme activity, which may be of interest for the prediction of new drugs or drug targets. To illustrate the model's application, we report the 2D-Electrophoresis (2DE) isolation from Leishmania infantum as well as MADLI TOF Mass Spectra characterization and theoretical study of the Peptide Mass Fingerprints (PMFs) of a new protein sequence. The theoretical study focused on MASCOT, BLAST alignment, and alignment-free QSAR prediction of the contribution of 29 peptides found in the PMF of the new protein to specific enzyme action. This combined strategy may be used to identify and predict peptides of prokaryote and eukaryote parasites and their hosts as well as other superior organisms, which may be of interest in drug development or target identification.
Large-scale deformed quasiparticle random-phase approximation calculations of the γ -ray strength function using the Gogny force

NASA Astrophysics Data System (ADS)

Martini, M.; Péru, S.; Hilaire, S.; Goriely, S.; Lechaftois, F.

2016-07-01

Valuable theoretical predictions of nuclear dipole excitations in the whole chart are of great interest for different nuclear applications, including in particular nuclear astrophysics. Here we present large-scale calculations of the E 1 γ -ray strength function obtained in the framework of the axially symmetric deformed quasiparticle random-phase approximation based on the finite-range Gogny force. This approach is applied to even-even nuclei, the strength function for odd nuclei being derived by interpolation. The convergence with respect to the adopted number of harmonic oscillator shells and the cutoff energy introduced in the 2-quasiparticle (2 -q p ) excitation space is analyzed. The calculations performed with two different Gogny interactions, namely D1S and D1M, are compared. A systematic energy shift of the E 1 strength is found for D1M relative to D1S, leading to a lower energy centroid and a smaller energy-weighted sum rule for D1M. When comparing with experimental photoabsorption data, the Gogny-QRPA predictions are found to overestimate the giant dipole energy by typically ˜2 MeV. Despite the microscopic nature of our self-consistent Hartree-Fock-Bogoliubov plus QRPA calculation, some phenomenological corrections need to be included to take into account the effects beyond the standard 2 -q p QRPA excitations and the coupling between the single-particle and low-lying collective phonon degrees of freedom. For this purpose, three prescriptions of folding procedure are considered and adjusted to reproduce experimental photoabsorption data at best. All of them are shown to lead to somewhat similar predictions of the E 1 strength, both at low energies and for exotic neutron-rich nuclei. Predictions of γ -ray strength functions and Maxwellian-averaged neutron capture rates for the whole Sn isotopic chain are also discussed and compared with previous theoretical calculations.

X-RAY OBSERVATIONS OF BOW SHOCKS AROUND RUNAWAY O STARS. THE CASE OF ζ OPH AND BD+43°3654

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

Toalá, J. A.; Guerrero, M. A.; Oskinova, L. M.

2016-04-20

Non-thermal radiation has been predicted within bow shocks around runaway stars by recent theoretical works. We present X-ray observations toward the runaway stars ζ Oph by Chandra and Suzaku and of BD+43°3654 by XMM-Newton to search for the presence of non-thermal X-ray emission. We found no evidence of non-thermal emission spatially coincident with the bow shocks; nonetheless, diffuse emission was detected in the vicinity of ζ Oph. After a careful analysis of its spectral characteristics, we conclude that this emission has a thermal nature with a plasma temperature of T ≈ 2 × 10{sup 6} K. The cometary shape ofmore » this emission seems to be in line with recent predictions of radiation-hydrodynamic models of runaway stars. The case of BD+43°3654 is puzzling, as non-thermal emission has been reported in a previous work for this source.« less
Estimation of state and material properties during heat-curing molding of composite materials using data assimilation: A numerical study.

PubMed

Matsuzaki, Ryosuke; Tachikawa, Takeshi; Ishizuka, Junya

2018-03-01

Accurate simulations of carbon fiber-reinforced plastic (CFRP) molding are vital for the development of high-quality products. However, such simulations are challenging and previous attempts to improve the accuracy of simulations by incorporating the data acquired from mold monitoring have not been completely successful. Therefore, in the present study, we developed a method to accurately predict various CFRP thermoset molding characteristics based on data assimilation, a process that combines theoretical and experimental values. The degree of cure as well as temperature and thermal conductivity distributions during the molding process were estimated using both temperature data and numerical simulations. An initial numerical experiment demonstrated that the internal mold state could be determined solely from the surface temperature values. A subsequent numerical experiment to validate this method showed that estimations based on surface temperatures were highly accurate in the case of degree of cure and internal temperature, although predictions of thermal conductivity were more difficult.
Predicting body appreciation in young women: An integrated model of positive body image.

PubMed

Andrew, Rachel; Tiggemann, Marika; Clark, Levina

2016-09-01

This study examined a range of predictors, based on previous theoretical models, of positive body image in young adult women. Participants were 266 women who completed an online questionnaire measuring body appreciation, activity participation, media consumption, perceived body acceptance by others, self-compassion, and autonomy. Potential mechanisms in predicting body appreciation assessed were self-objectification, social appearance comparison, and thin-ideal internalisation. Results indicated that greater perceived body acceptance by others and self-compassion, and lower appearance media consumption, self-objectification, social comparison, and thin-ideal internalisation were related to greater body appreciation. An integrated model showed that appearance media (negatively) and non-appearance media and self-compassion (positively) were associated with lower self-objectification, social comparison, and thin-ideal internalisation, which in turn related to greater body appreciation. Additionally, perceived body acceptance by others was directly associated with body appreciation. The results contribute to an understanding of potential pathways of positive body image development, thereby highlighting possible intervention targets. Copyright © 2016 Elsevier Ltd. All rights reserved.
Nanoscale Roughness of Natural Fault Surfaces Controlled by Scale-Dependent Yield Strength

NASA Astrophysics Data System (ADS)

Thom, C. A.; Brodsky, E. E.; Carpick, R. W.; Pharr, G. M.; Oliver, W. C.; Goldsby, D. L.

2017-09-01

Many natural fault surfaces exhibit remarkably similar scale-dependent roughness, which may reflect the scale-dependent yield strength of rocks. Using atomic force microscopy (AFM), we show that a sample of the Corona Heights Fault exhibits isotropic surface roughness well-described by a power law, with a Hurst exponent of 0.75 +/- 0.05 at all wavelengths from 60 nm to 10 μm. The roughness data and a recently proposed theoretical framework predict that yield strength varies with length scale as λ-0.25+/-0.05. Nanoindentation tests on the Corona Heights sample and another fault sample whose topography was previously measured with AFM (the Yair Fault) reveal a scale-dependent yield stress with power-law exponents of -0.12 +/- 0.06 and -0.18 +/- 0.08, respectively. These values are within one to two standard deviations of the predicted value, and provide experimental evidence that fault roughness is controlled by intrinsic material properties, which produces a characteristic surface geometry.
Ataque de nervios: relationship to anxiety sensitivity and dissociation predisposition.

PubMed

Hinton, Devon E; Chong, Roberto; Pollack, Mark H; Barlow, David H; McNally, Richard J

2008-01-01

We investigated the relative importance of "fear of arousal symptoms" (i.e., anxiety sensitivity) and "dissociation tendency" in generating ataque de nervios. Puerto Rican patients attending an outpatient psychiatric clinic were assessed for ataque de nervios frequency in the previous month, and they completed the Anxiety Sensitivity Index (ASI) and the Dissociation Experiences Scale (DES). ASI scores were especially high in the ataque-positive group (M=41.6, SD=12.8) as compared with the ataque-negative group (M=27.2, SD=11.7), t(2, 68)=4.6, P<.001. Among the whole sample (N=70), in a logistic regression analysis, the ASI significantly predicted (odds ratio=2.6) the presence of ataque de nervios, but the DES did not. In a linear regression analysis, ataque severity was significantly predicted by both the ASI (beta=.46) and the DES (beta=.29). The theoretical and clinical implications of the strong relationship of the ASI to ataque severity are discussed.
Temperature-dependent thermal conductivities of one-dimensional nonlinear Klein-Gordon lattices with a soft on-site potential

NASA Astrophysics Data System (ADS)

Yang, Linlin; Li, Nianbei; Li, Baowen

2014-12-01

The temperature-dependent thermal conductivities of one-dimensional nonlinear Klein-Gordon lattices with soft on-site potential (soft-KG) are investigated systematically. Similarly to the previously studied hard-KG lattices, the existence of renormalized phonons is also confirmed in soft-KG lattices. In particular, the temperature dependence of the renormalized phonon frequency predicted by a classical field theory is verified by detailed numerical simulations. However, the thermal conductivities of soft-KG lattices exhibit the opposite trend in temperature dependence in comparison with those of hard-KG lattices. The interesting thing is that the temperature-dependent thermal conductivities of both soft- and hard-KG lattices can be interpreted in the same framework of effective phonon theory. According to the effective phonon theory, the exponents of the power-law dependence of the thermal conductivities as a function of temperature are only determined by the exponents of the soft or hard on-site potentials. These theoretical predictions are consistently verified very well by extensive numerical simulations.
Angle-resolved photoelectron spectroscopy of the chloro-substituted methanes

NASA Astrophysics Data System (ADS)

Keller, P. R.; Taylor, J. W.; Carlson, Thomas A.; Grimm, F. A.

1983-09-01

The angular distribution parameter, β, was determined for the valence orbitals (IP ' 21.2 eV) of CCl 4, CHCl 3, CH 2Cl 2, and CH 3Cl in the 10-30 eV photon energy range using dispersed polarized synchrotron radiation. The energy dependence of β in the photoelectron energy range of 2 to 10 eV for the non-bonding chlorine n(Cl) orbitals of these molecules was found to be similar for all n(Cl) orbitals investigated. The energy dependence of β for the σ orbitals in these molecules was similar to that observed previously for other σ orbitals. The experimental CCl 4 results were compared with theoretical CCl 4 results obtained using the Xα multiple scattering formalism. Theory predicts the existence of two strong shape resonances in each of the valence orbitals of CCl 4. The overall agreement between experiment and theory is evaluated along with the experimental evidence concerning the verification of the predicted shape resonances.
Predictability in Cellular Automata

PubMed Central

Agapie, Alexandru; Andreica, Anca; Chira, Camelia; Giuclea, Marius

2014-01-01

Modelled as finite homogeneous Markov chains, probabilistic cellular automata with local transition probabilities in (0, 1) always posses a stationary distribution. This result alone is not very helpful when it comes to predicting the final configuration; one needs also a formula connecting the probabilities in the stationary distribution to some intrinsic feature of the lattice configuration. Previous results on the asynchronous cellular automata have showed that such feature really exists. It is the number of zero-one borders within the automaton's binary configuration. An exponential formula in the number of zero-one borders has been proved for the 1-D, 2-D and 3-D asynchronous automata with neighborhood three, five and seven, respectively. We perform computer experiments on a synchronous cellular automaton to check whether the empirical distribution obeys also that theoretical formula. The numerical results indicate a perfect fit for neighbourhood three and five, which opens the way for a rigorous proof of the formula in this new, synchronous case. PMID:25271778
Effect of magnetic dipolar interactions on nanoparticle heating efficiency: Implications for cancer hyperthermia

PubMed Central

Branquinho, Luis C.; Carrião, Marcus S.; Costa, Anderson S.; Zufelato, Nicholas; Sousa, Marcelo H.; Miotto, Ronei; Ivkov, Robert; Bakuzis, Andris F.

2013-01-01

Nanostructured magnetic systems have many applications, including potential use in cancer therapy deriving from their ability to heat in alternating magnetic fields. In this work we explore the influence of particle chain formation on the normalized heating properties, or specific loss power (SLP) of both low- (spherical) and high- (parallelepiped) anisotropy ferrite-based magnetic fluids. Analysis of ferromagnetic resonance (FMR) data shows that high particle concentrations correlate with increasing chain length producing decreasing SLP. Monte Carlo simulations corroborate the FMR results. We propose a theoretical model describing dipole interactions valid for the linear response regime to explain the observed trends. This model predicts optimum particle sizes for hyperthermia to about 30% smaller than those previously predicted, depending on the nanoparticle parameters and chain size. Also, optimum chain lengths depended on nanoparticle surface-to-surface distance. Our results might have important implications to cancer treatment and could motivate new strategies to optimize magnetic hyperthermia. PMID:24096272
The Association Between Sexual Motives and Sexual Satisfaction: Gender Differences and Categorical Comparisons

PubMed Central

Ahrold, Tierney K.; Meston, Cindy M.

2010-01-01

Past research suggests that sexual satisfaction may be partially dependent on sexual motives (the reasons people have sex). The primary goal of this study was to determine which of a wide range of empirically derived sexual motives were related to sexual satisfaction, and whether gender differences existed in these relationships. Examining data from 544 undergraduate participants (93 men, 451 women), we found that certain types of motives predicted levels of sexual satisfaction for both genders. However, a greater number of motive categories were related to satisfaction for women than for men, and sexual motives were a more consistent predictor of satisfaction in general for women than for men. We also found that empirical categories of motives predicted more variance in satisfaction ratings than did previously used theoretical categories. These findings suggest that a wide range of sexual motives are related to sexual satisfaction, that these connections may be moderated by gender, and that empirically-constructed categories of motives may be the most effective tool for studying this link. PMID:20967494
Ambivalent sexism: a tool for understanding and improving gender relations in organizations.

PubMed

Zakrisson, Ingrid; Anderzén, Marie; Lenell, Fredrik; Sandelin, Håkan

2012-02-01

This study tested predictions regarding ambivalent sexism, previously studied cross-culturally, here "within-culturally", between groups from different organizational settings. Based on three samples (334 adults in general, 744 industrial employees, and 189 high school students), completing a Swedish version of the Ambivalent Sexism Inventory (ASI), the results revealed that men scored higher on hostile and benevolent sexism than women, and high school students scored higher than both adult samples on both forms of sexism. The results generally confirmed the predictions; the gender gap in benevolent sexism decreased as a function of increasing levels of general sexism and the correlation between hostile and benevolent sexism decreased with higher levels of general sexism. In fact, the groups scoring highest on general sexism displayed significant negative correlations indicating a polarized ideology of women among these groups. Implications, both theoretical and practical, derived from these results are discussed. © 2011 The Authors. Scandinavian Journal of Psychology © 2011 The Scandinavian Psychological Associations.
TACTIC: the TRIUMF Annular Chamber for Tracking and Identification of Charged particles

NASA Astrophysics Data System (ADS)

Martin, L.; Ruprecht, G.; Hager, U.; Amaudruz, P.-A.; Buchmann, L.; Fox, S. P.; Laird, A. M.; Martin, E.

2018-01-01

An in-depth characterization of the TACTIC detector was performed using data from a 148Gd alpha source and some test runs with a stable ion beam. The detector is an active target time-projection chamber with a blind central region for maximizing beam tolerance and GEM-based electron amplification, equipped with a modern digitizing data acquisition system allowing the recording of full signals. The system was developed to study the reaction 8Li(α,n)11B, which is important for bridging the mass 8 gap in scenarios of low 4He density like Inhomogeneous Big Bang Nucleosynthesis and the production of r-process seeds in supernovae. Both energy resolution and tracking accuracy were found to agree with theoretical predictions and Geant4 simulations. The 8Li beam rate capability of the system is predicted to be of the order of 105s-1, several orders of magnitude higher than most previous measurements of the same reaction, while still maintaining a high detection efficiency of 70% to 80 %.
Electroproduction of η Mesons in the S 11(1535) Resonance Region at High Momentum Transfer

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

Dalton, Mark Macrae

2008-08-01

The differential cross-section for the exclusive process p(e, e0p) has been measured at Q 2 5.7 and 7.0 (GeV/c) 2, which represents the highest momentum transfer measurement of this to date, significantly higher than the previous highest at Q 2 3.6 (GeV/c) 2. Data was taken for centre-of-mass energies from threshold to 1.8 GeV, encompassing the S11(1535) resonance, which dominates the pη channel. The total cross section is obtained, from which is extracted the helicity-conserving transition amplitude A 1/2, for the production of the S11(1535) resonance. This quantity appears to begin scaling as Q -3, a predicted signal of themore » dominance of perturbative QCD, within the Q 2 range of this measurement. No currently available theoretical predictions can account for the behaviour of this quantity over the full measured range of Q 2.« less
A relation to predict the failure of materials and potential application to volcanic eruptions and landslides.

PubMed

Hao, Shengwang; Liu, Chao; Lu, Chunsheng; Elsworth, Derek

2016-06-16

A theoretical explanation of a time-to-failure relation is presented, with this relationship then used to describe the failure of materials. This provides the potential to predict timing (tf - t) immediately before failure by extrapolating the trajectory as it asymptotes to zero with no need to fit unknown exponents as previously proposed in critical power law behaviors. This generalized relation is verified by comparison with approaches to criticality for volcanic eruptions and creep failure. A new relation based on changes with stress is proposed as an alternative expression of Voight's relation, which is widely used to describe the accelerating precursory signals before material failure and broadly applied to volcanic eruptions, landslides and other phenomena. The new generalized relation reduces to Voight's relation if stress is limited to increase at a constant rate with time. This implies that the time-derivatives in Voight's analysis may be a subset of a more general expression connecting stress derivatives, and thus provides a potential method for forecasting these events.
Quark-Gluon Plasma

NASA Astrophysics Data System (ADS)

Sinha, Bikash; Pal, Santanu; Raha, Sibaji

Quark-Gluon Plasma (QGP) is a state of matter predicted by the theory of strong interactions - Quantum Chromodynamics (QCD). The area of QGP lies at the interface of particle physics, field theory, nuclear physics and many-body theory, statistical physics, cosmology and astrophysics. In its brief history (about a decade), QGP has seen a rapid convergence of ideas from these previously diverging disciplines. This volume includes the lectures delivered by eminent specialists to students without prior experience in QGP. Each course thus starts from the basics and takes the students by steps to the current problems. The chapters are self-contained and pedagogic in style. The book may therefore serve as an introduction for advanced graduate students intending to enter this field or for physicists working in other areas. Experts in QGP may also find this volume a handy reference. Specific examples, used to elucidate how theoretical predictions and experimentally accessible quantities may not always correspond to one another, make this book ideal for self-study for beginners. This feature will also make the volume thought-provoking for QGP practitioners.
Heavy quarkonium production at low P⊥ in nonrelativistic QCD with soft gluon resummation

NASA Astrophysics Data System (ADS)

Sun, Peng; Yuan, C.-P.; Yuan, Feng

2013-09-01

We extend the nonrelativistic QCD (NRQCD) prediction for the production of heavy quarkonium with low transverse momentum in hadronic collisions by taking into account effects from all-order soft gluon resummation. Following the Collins-Soper-Sterman formalism, we resum the most singular terms in the partonic subprocesses. The theoretical predictions of J/ψ and Υ productions are compared to the experimental data from the fixed target experiments (E866) and the collider experiments (RHIC, Tevatron, LHC). The associated nonperturbative Sudakov form factor for the gluon distributions is found to be different from the previous assumption of rescaling the quark form factor by the ratio of color factors. This conclusion should be further checked by future experiments on Higgs boson and/or diphoton production in pp collisions. We also comment on the implication of our results on determining the color-octet matrix elements associated with the J/ψ and Υ productions in the NRQCD factorization formalism.
Haze heats Pluto's atmosphere yet explains its cold temperature.

PubMed

Zhang, Xi; Strobel, Darrell F; Imanaka, Hiroshi

2017-11-15

Pluto's atmosphere is cold and hazy. Recent observations have shown it to be much colder than predicted theoretically, suggesting an unknown cooling mechanism. Atmospheric gas molecules, particularly water vapour, have been proposed as a coolant; however, because Pluto's thermal structure is expected to be in radiative-conductive equilibrium, the required water vapour would need to be supersaturated by many orders of magnitude under thermodynamic equilibrium conditions. Here we report that atmospheric hazes, rather than gases, can explain Pluto's temperature profile. We find that haze particles have substantially larger solar heating and thermal cooling rates than gas molecules, dominating the atmospheric radiative balance from the ground to an altitude of 700 kilometres, above which heat conduction maintains an isothermal atmosphere. We conclude that Pluto's atmosphere is unique among Solar System planetary atmospheres, as its radiative energy equilibrium is controlled primarily by haze particles instead of gas molecules. We predict that Pluto is therefore several orders of magnitude brighter at mid-infrared wavelengths than previously thought-a brightness that could be detected by future telescopes.
Melting temperatures of MgO under high pressure by micro-texture analysis

PubMed Central

Kimura, T.; Ohfuji, H.; Nishi, M.; Irifune, T.

2017-01-01

Periclase (MgO) is the second most abundant mineral after bridgmanite in the Earth's lower mantle, and its melting behaviour under pressure is important to constrain rheological properties and melting behaviours of the lower mantle materials. Significant discrepancies exist between the melting temperatures of MgO determined by laser-heated diamond anvil cell (LHDAC) and those based on dynamic compressions and theoretical predictions. Here we show the melting temperatures in earlier LHDAC experiments are underestimated due to misjudgment of melting, based on micro-texture observations of the quenched samples. The high melting temperatures of MgO suggest that the subducted cold slabs should have higher viscosities than previously thought, suggesting that the inter-connecting textural feature of MgO would not play important roles for the slab stagnation in the lower mantle. The present results also predict that the ultra-deep magmas produced in the lower mantle are peridotitic, which are stabilized near the core–mantle boundary. PMID:28580945
Observations of the 51.8 micron (O III) emission line in Orion

NASA Technical Reports Server (NTRS)

Melnick, G.; Gull, G. E.; Harwit, M.; Ward, D. B.

1978-01-01

The 51.8 micron fine structure transition P2:3P2 3P1 for doubly ionized oxygen was observed in the Orion nebula. The observed line strength is of 5 plus or minus 3 times 10 to the minus 15th power watt/sq cm is in good agreement with theoretical predictions. Observations are consistent with the newly predicted 51.8 micron line position. The line lies close to an atmospheric water vapor feature at 51.7 micron, but is sufficiently distant so that corrections for this feature are straightforward. Observations of the 51.8 (O III) line are particularly important since the previously discovered 88 micron line from the same ion also is strong. This pair of lines should, therefore, yield new data about densities in observed H II regions; or else, if density data already are available from radio or other observations, the lines can be used to determine the differential dust absorption between 52 and 88 micron in front of heavily obscured regions.
Using theories of behaviour to understand transfusion prescribing in three clinical contexts in two countries: development work for an implementation trial.

PubMed

Francis, Jill J; Tinmouth, Alan; Stanworth, Simon J; Grimshaw, Jeremy M; Johnston, Marie; Hyde, Chris; Stockton, Charlotte; Brehaut, Jamie C; Fergusson, Dean; Eccles, Martin P

2009-10-24

Blood transfusion is an essential part of healthcare and can improve patient outcomes. However, like most therapies, it is also associated with significant clinical risks. In addition, there is some evidence of overuse. Understanding the potential barriers and enablers to reduced prescribing of blood products will facilitate the selection of intervention components likely to be effective, thereby reducing the number of costly trials evaluating different implementation strategies. Using a theoretical basis to understand behaviours targeted for change will contribute to a 'basic science' relating to determinants of professional behaviour and how these inform the selection of techniques for changing behaviour. However, it is not clear which theories of behaviour are relevant to clinicians' transfusing behaviour. The aim of this study is to use a theoretical domains framework to identify relevant theories, and to use these theories to identify factors that predict the decision to transfuse. The study involves two steps: interview study and questionnaire study. Using a previously identified framework, we will conduct semi-structured interviews with clinicians to elicit their views about which factors are associated with waiting and further monitoring the patient rather than transfusing red blood cells. Interviews will cover the following theoretical domains: knowledge; skills; social/professional role and identity; beliefs about capabilities; beliefs about consequences; motivation and goals; memory, attention, and decision processes; environmental context and resources; social influences; emotion; behavioural regulation; nature of the behaviour. The interviews will take place independently in Canada and the UK and involve two groups of physicians in each country (UK: adult and neonatal intensive care physicians; Canada: intensive care physicians and orthopaedic surgeons). We will: analyse interview transcript content to select relevant theoretical domains; use consensus processes to map these domains on to theories of behaviour; develop questionnaires based on these theories; and mail them to each group of physicians in the two countries. From our previous work, it is likely that the theories will include: theory of planned behaviour, social cognitive theory and the evidence-based strategy, implementation intention. The questionnaire data will measure predictor variables (theoretical constructs) and outcome variables (intention and clinical decision), and will be analysed using multiple regression analysis. We aim to achieve 150 respondents in each of the four groups for each postal survey.

Aerosols: The key to understanding Titan's lower ionosphere

NASA Astrophysics Data System (ADS)

Molina-Cuberos, G. J.; Cardnell, S.; García-Collado, A. J.; Witasse, O.; López-Moreno, J. J.

2018-04-01

The Permittivity Wave and Altimetry system on board the Huygens probe observed an ionospheric hidden layer at a much lower altitude than the main ionosphere during its descent through the atmosphere of Titan, the largest satellite of Saturn. Previous studies predicted a similar ionospheric layer. However, neither previous nor post-Huygens theoretical models have been able to reproduce the measurements of the electrical conductivity and charge densities reported by the Mutual Impedance (MI) and Relaxation Probe (RP) sensors. The measurements were made from an altitude of 140 km down to the ground and show a maximum of charge densities of ≈ 2 ×109 m-3 positive ions and ≈ 450 ×106 m-3 electrons at approximately 65 km. Such a large difference between positive and negative charge densities has not yet been understood. Here, by making use of electron and ion capture processes in to aerosols, we are able to model both electron and positive ion number densities and to reconcile experimental data and model results.
Ethnic status and engagement with health services: Attitudes toward help-seeking and intercultural willingness to interact among South East Asian students in Australia.

PubMed

Logan, Shanna; Steel, Zachary; Hunt, Caroline

2017-04-01

Previous research has demonstrated the importance of intercultural willingness to interact; however, these investigations have yet to be applied to a health context or to compare an ethnic minority with a majority sample. Consequently, the current study sought to better understand engagement with health services by investigating both attitudes towards seeking psychological help and intercultural willingness to interact within an ethnic minority South East Asian population, relative to an Anglo Australian sample. As predicted, negative attitudes towards seeking psychological help were higher in the South East Asian sample, with this relationship persisting across generations, despite significant differences in acculturation. In contrast, intercultural willingness to interact was not associated with ethnicity status but was associated with higher anxiety, uncertainty, ethnocentrism and help-seeking, consistent with current empirical and theoretical literature. The current study also sought to examine factors associated with help-seeking attitudes and found that ethnocentrism was a significant predictor, when accounting for previous health experience.
On the Absence of Non-thermal X-Ray Emission around Runaway O Stars

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

Toalá, J. A.; Oskinova, L. M.; Ignace, R.

Theoretical models predict that the compressed interstellar medium around runaway O stars can produce high-energy non-thermal diffuse emission, in particular, non-thermal X-ray and γ -ray emission. So far, detection of non-thermal X-ray emission was claimed for only one runaway star, AE Aur. We present a search for non-thermal diffuse X-ray emission from bow shocks using archived XMM-Newton observations for a clean sample of six well-determined runaway O stars. We find that none of these objects present diffuse X-ray emission associated with their bow shocks, similarly to previous X-ray studies toward ζ Oph and BD+43°3654. We carefully investigated multi-wavelength observations ofmore » AE Aur and could not confirm previous findings of non-thermal X-rays. We conclude that so far there is no clear evidence of non-thermal extended emission in bow shocks around runaway O stars.« less
Evidence for cis Amide Bonds in Peptoid Nanosheets.

PubMed

Hudson, Benjamin C; Battigelli, Alessia; Connolly, Michael D; Edison, John; Spencer, Ryan K; Whitelam, Stephen; Zuckermann, Ronald N; Paravastu, Anant K

2018-05-17

Peptoid nanosheets are supramolecular protein-mimetic materials that form from amphiphilic polypeptoids with aromatic and ionic side chains. Nanosheets have been studied at the nanometer scale, but the molecular structure has been difficult to probe. We report the use of 13 C- 13 C dipolar recoupling solid-state NMR measurements to reveal the configuration of backbone amide bonds selected by 13 C isotopic labeling of adjacent α-carbons. Measurements on the same molecules in the amorphous state and in nanosheets revealed that amide bonds in the center of the amino block of peptoid (NaeNpe) 7 -(NceNpe) 7 (B28) favor the trans configuration in the amorphous state and the cis configuration in the nanosheet. This unexpected result contrasts with previous NMR and theoretical studies of short solvated peptoids. Furthermore, examination of the amide bond at the junction of the two charged blocks within B28 revealed a mixture of both cis and trans configurational states, consistent with the previously predicted brickwork-like intermolecular organization.
An improved model for computing the trajectories of conductive particles in roll-type electrostatic separator for recycling metals from WEEE.

PubMed

Wu, Jiang; Li, Jia; Xu, Zhenming

2009-08-15

Electrostatic separation presents an effective and environmentally friendly way for recycling metals and nonmetals from ground waste electrical and electronic equipment (WEEE). For this process, the trajectory of conductive particle is significant and some models have been established. However, the results of previous researches are limited by some simplifying assumptions and lead to a notable discrepancy between the model prediction and the experimental results. In the present research, a roll-type corona-electrostatic separator and ground printed circuit board (PCB) wastes were used to investigate the trajectory of the conductive particle. Two factors, the air drag force and the different charging situation, were introduced into the improved model. Their effects were analyzed and an improved model for the theoretical trajectory of conductive particle was established. Compared with the previous one, the improved model shows a good agreement with the experimental results. It provides a positive guidance for designing of separator and makes a progress for recycling the metals and nonmetals from WEEE.
Reordering of Nuclear Quantum States in Rare Isotopes

NASA Astrophysics Data System (ADS)

Flanagan, Kieran

2010-02-01

A key question in modern nuclear physics relates to the ordering of quantum states, and whether the predictions made by the shell model hold true far from stability. Recent innovations in technology and techniques at radioactive beam facilities have allowed access to rare isotopes previously inaccessible to experimentalists. Measurements that have been performed in several regions of the nuclear chart have yielded surprising and dramatic changes in nuclear structure, where level ordering is quite different than expected from previous theoretical descriptions. In order to reconcile the difference between experiment and theory, new shell-model interactions have been proposed, which include the role of the tensor force as part of the monopole term from the expansion of the residual proton-neutron interaction. This has motivated a series of laser spectroscopy experiments that have studied the neutron-rich copper and gallium isotopes at the ISOLDE facility. This work has deduced without nuclear-model dependence the spin, moments and charge radii. The results of this work and their implications for nuclear structure near ^78Ni will be discussed. )
New Halo Stars of the Galactic Globular Clusters M3 and M13 in the LAMOST DR1 Catalog

NASA Astrophysics Data System (ADS)

Navin, Colin A.; Martell, Sarah L.; Zucker, Daniel B.

2016-10-01

M3 and M13 are Galactic globular clusters with previous reports of surrounding stellar halos. We present the results of a search for members and extratidal cluster halo stars within and outside of the tidal radius of these clusters in the LAMOST Data Release 1. We find seven candidate cluster members (inside the tidal radius) of both M3 and M13, respectively. In M3 we also identify eight candidate extratidal cluster halo stars at distances up to ˜9.8 times the tidal radius, and in M13 we identify 12 candidate extratidal cluster halo stars at distances up to ˜13.8 times the tidal radius. These results support previous indications that both M3 and M13 are surrounded by extended stellar halos, and we find that the GC destruction rates corresponding to the observed mass loss are generally significantly higher than theoretical studies predict.
Sub-ion scale plasmoids during collisionless reconnection on TREX

NASA Astrophysics Data System (ADS)

Olson, Joseph; Egedal, Jan; Myers, Rachel; Greess, Sam; Clark, Mike; Wallace, John; Forest, Cary; Wisconsin Plasma Astrophysics Laboratory Collaboration

2016-10-01

The Terrestrial Reconnection Experiment (TREX), operating at the Wisconsin Plasma Astrophysics Laboratory, is able to explore a collisionless regime inaccessible to previous reconnection experiments. To date, TREX has already achieved Lundquist numbers up to 104 where kinetic effects, such as electron pressure anisotropy, become important to the reconnection dynamics. During a recent run campaign in this collisionless regime, the spontaneous formation of magnetic islands (plasmoids) inside the ion diffusion region was observed. It is known that long current layers are susceptible to tearing, leading to the formation of plasmoids, and that these plasmoids have strong effects on the reconnection rate and particle energization. However, contrary to theoretical and numerical predictions, the TREX experiments show that the plasmoid instability is active even when the current layer is less than one di long. Analysis of these events shows that smaller plasmoids occur at a higher rate than larger ones, suggesting that magnetic islands could be seeded in plasmas more effectively than previously thought.
Improved extraction of two-photon exchange amplitudes from elastic electron-proton scattering cross section data up to Q2=5.20 (GeV/c ) 2

NASA Astrophysics Data System (ADS)

Qattan, I. A.; Homouz, D.; Riahi, M. K.

2018-04-01

In this work, we improve on and extend to low- and high-Q2 values the extractions of the two-photon-exchange (TPE) amplitudes and the ratio Pl/PlBorn(ɛ ,Q2) using world data on electron-proton elastic scattering cross section σR(ɛ ,Q2) with an emphasis on data covering the high-momentum region, up to Q2=5.20 (GeV/c ) 2 , to better constrain the TPE amplitudes in this region. We provide a new parametrization of the TPE amplitudes, along with an estimate of the fit uncertainties. We compare the results to several previous phenomenological extractions and hadronic TPE predictions. We use the new parametrization of the TPE amplitudes to extract the ratio Pl/PlBorn(ɛ ,Q2) , and then compare the results to previous extractions, several theoretical calculations, and direct measurements at Q2=2.50 (GeV/c ) 2 .
Melting behavior of (Mg,Fe)O solid solutions at high pressure

NASA Astrophysics Data System (ADS)

Zhang, Li; Fei, Yingwei

2008-07-01

High pressure melting of (Mg,Fe)O ferropericlase, the second most abundant mineral in the Earth's lower mantle, is of fundamental importance for understanding the chemical differentiation, geodynamics and thermal evolution of the Earth's interior. We report the first systematic experimental study of melting behavior in the MgO-FeO system up to 3600 K and 7 GPa, indicating the ideal solution between solid and liquid (Mg,Fe)O in the MgO-rich portion. The zero pressure melting slope of MgO is ~221 K/GPa derived from our resistance heating measurements, which is several times higher than the value from the previous measurements in a CO2-laser heated diamond anvil cell, but consistent with the theoretically predicted melting curves. Our results combined with the previous first-principles simulations suggest that the melting temperature of MgO-rich (Mg,Fe)O is significantly higher than the geotherm through the lower mantle and this would place an upper bound on the solidus of the lower mantle.
Uniaxial stress induced symmetry breaking for muon sites in Fe

NASA Technical Reports Server (NTRS)

Kossler, W. J.; Namkung, M.; Hitti, B.; Li, Y.; Kempton, J.; Stronach, C. E.; Goode, L. R., Jr.; Lankford, W. F.; Patterson, B. D.; Kuendig, W.

1984-01-01

Uniaxial stress was used on Fe single crystals to induce muon precession frequency shifts. The frequency shift for a nominally pure Fe sample at 302K was -0.34 + or - .023 MHz per 100 microstrain along the 100 magnetization axis. This corresponds to a change of magnetic field at the muon of 25.1 + to 1.6G/100 magnetic moment. For an Fe (3wt%Si) single crystal the shifts were -0.348 + or - .008 MHz/100 magnetic moment. The agreement between the shifts for Fe and Fe(3wt%Si) shows the effect to be intrinsic to iron and not strongly impurity sensitive. These shifts and their temperature dependence (1/T) are dominated by the effect of strain inducted population shifts between crystallographically equivalent, but mgnetically inequivalent sites. Their magnitudes are in good agreement ith previous theoretical predictions and by previous extrapolation from calculations on Nb and V especially if both 4T(0) and 1T sites contribute comparably.
Effects of Corrugated Temperature Sheets on Optical Propagation along Quasi-Horizontal Paths in the Stably Stratified Atmosphere

DTIC Science & Technology

2015-12-11

diameter) are consistent with theoretical predictions based on Taylor’s frozen- turbulence hypothesis and the geometrical - optics approximation. Short...theoretical predictions based on Taylor’s frozen- turbulence hypothesis and the geometrical - optics approximation. Short-term (less than a few seconds... turbulent , quasi-horizontal interfaces, or “sheets”. Collocated in- situ and optical field measurements conducted in the atmospheric surface layer
A general framework for predicting delayed responses of ecological communities to habitat loss.

PubMed

Chen, Youhua; Shen, Tsung-Jen

2017-04-20

Although biodiversity crisis at different spatial scales has been well recognised, the phenomena of extinction debt and immigration credit at a crossing-scale context are, at best, unclear. Based on two community patterns, regional species abundance distribution (SAD) and spatial abundance distribution (SAAD), Kitzes and Harte (2015) presented a macroecological framework for predicting post-disturbance delayed extinction patterns in the entire ecological community. In this study, we further expand this basic framework to predict diverse time-lagged effects of habitat destruction on local communities. Specifically, our generalisation of KH's model could address the questions that could not be answered previously: (1) How many species are subjected to delayed extinction in a local community when habitat is destructed in other areas? (2) How do rare or endemic species contribute to extinction debt or immigration credit of the local community? (3) How will species differ between two local areas? From the demonstrations using two SAD models (single-parameter lognormal and logseries), the predicted patterns of the debt, credit, and change in the fraction of unique species can vary, but with consistencies and depending on several factors. The general framework deepens the understanding of the theoretical effects of habitat loss on community dynamic patterns in local samples.
COBRA: A Computational Brewing Application for Predicting the Molecular Composition of Organic Aerosols

PubMed Central

Fooshee, David R.; Nguyen, Tran B.; Nizkorodov, Sergey A.; Laskin, Julia; Laskin, Alexander; Baldi, Pierre

2012-01-01

Atmospheric organic aerosols (OA) represent a significant fraction of airborne particulate matter and can impact climate, visibility, and human health. These mixtures are difficult to characterize experimentally due to their complex and dynamic chemical composition. We introduce a novel Computational Brewing Application (COBRA) and apply it to modeling oligomerization chemistry stemming from condensation and addition reactions in OA formed by photooxidation of isoprene. COBRA uses two lists as input: a list of chemical structures comprising the molecular starting pool, and a list of rules defining potential reactions between molecules. Reactions are performed iteratively, with products of all previous iterations serving as reactants for the next. The simulation generated thousands of structures in the mass range of 120–500 Da, and correctly predicted ~70% of the individual OA constituents observed by high-resolution mass spectrometry. Select predicted structures were confirmed with tandem mass spectrometry. Esterification was shown to play the most significant role in oligomer formation, with hemiacetal formation less important, and aldol condensation insignificant. COBRA is not limited to atmospheric aerosol chemistry; it should be applicable to the prediction of reaction products in other complex mixtures for which reasonable reaction mechanisms and seed molecules can be supplied by experimental or theoretical methods. PMID:22568707
Searches for heavy diboson resonances in pp collisions at $$ \\sqrt{s}=13 $$ TeV with the ATLAS detector

DOE PAGES

Aaboud, M.; Aad, G.; Abbott, B.; ...

2016-09-29

Searches for new heavy resonances decaying to WW, WZ, and ZZ bosons are presented, using a data sample corresponding to 3.2 fb -1 of pp collisions at s=13 TeV colle cted with the ATLAS detector at the CERN Large Hadron Collider. Analyses selecting ννqq, ℓνqq, ℓℓqq and qqqq final states are combined, searching for an arrow-width resonance with mass between 500 and 3000 GeV. The discriminating variable is either an invariant mass or a transverse mass. No significant deviations from the Standard Model predictions are observed. Three benchmark models are tested: a model predicting the existence of a new heavymore » scalar singlet, a simplified model predicting a heavy vector-boson triplet, and a bulk Randall-Sundrum model with a heavy spin-2 graviton. Cross-section limits are set at the 95% confidence level and are compared to theoretical cross-section predictions for a variety of models. The data exclude a scalar singlet with mass below 2650 GeV, a heavy vector-boson triplet with mass below 2600 GeV, and a graviton with mass below 1100 GeV. These results significantly extend the previous limits set using pp collisions at √s=8 TeV.« less
Searches for heavy diboson resonances in pp collisions at √{s}=13 TeV with the ATLAS detector

NASA Astrophysics Data System (ADS)

Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Aben, R.; AbouZeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Ali, B.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alstaty, M.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antel, C.; Antonelli, M.; Antonov, A.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisits, M.-S.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska-Blenessy, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barranco Navarro, L.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bedognetti, M.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Belanger-Champagne, C.; Bell, A. S.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Belyaev, N. L.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez, J.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Beringer, J.; Berlendis, S.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertram, I. A.; Bertsche, C.; Bertsche, D.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethani, A.; Bethke, S.; Bevan, A. J.; Bianchi, R. M.; Bianchini, L.; Bianco, M.; Biebel, O.; Biedermann, D.; Bielski, R.; Biesuz, N. V.; Biglietti, M.; Bilbao De Mendizabal, J.; Billoud, T. R. V.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biondi, S.; Bisanz, T.; Bjergaard, D. M.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blanchard, J.-B.; Blazek, T.; Bloch, I.; Blocker, C.; Blum, W.; Blumenschein, U.; Blunier, S.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Boerner, D.; Bogaerts, J. A.; Bogavac, D.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bokan, P.; Bold, T.; Boldyrev, A. S.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Bortfeldt, J.; Bortoletto, D.; Bortolotto, V.; Bos, K.; Boscherini, D.; Bosman, M.; Bossio Sola, J. D.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Boutle, S. K.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Breaden Madden, W. D.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Broughton, J. H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Bruni, A.; Bruni, G.; Bruni, L. S.; Brunt, BH; Bruschi, M.; Bruscino, N.; Bryant, P.; Bryngemark, L.; Buanes, T.; Buat, Q.; Buchholz, P.; Buckley, A. G.; Budagov, I. A.; Buehrer, F.; Bugge, M. K.; Bulekov, O.; Bullock, D.; Burckhart, H.; Burdin, S.; Burgard, C. D.; Burghgrave, B.; Burka, K.; Burke, S.; Burmeister, I.; Burr, J. T. P.; Busato, E.; Büscher, D.; Büscher, V.; Bussey, P.; Butler, J. M.; Buttar, C. M.; Butterworth, J. M.; Butti, P.; Buttinger, W.; Buzatu, A.; Buzykaev, A. R.; Cabrera Urbán, S.; Caforio, D.; Cairo, V. M.; Cakir, O.; Calace, N.; Calafiura, P.; Calandri, A.; Calderini, G.; Calfayan, P.; Callea, G.; Caloba, L. P.; Calvente Lopez, S.; Calvet, D.; Calvet, S.; Calvet, T. P.; Camacho Toro, R.; Camarda, S.; Camarri, P.; Cameron, D.; Caminal Armadans, R.; Camincher, C.; Campana, S.; Campanelli, M.; Camplani, A.; Campoverde, A.; Canale, V.; Canepa, A.; Cano Bret, M.; Cantero, J.; Cantrill, R.; Cao, T.; Capeans Garrido, M. D. M.; Caprini, I.; Caprini, M.; Capua, M.; Caputo, R.; Carbone, R. M.; Cardarelli, R.; Cardillo, F.; Carli, I.; Carli, T.; Carlino, G.; Carminati, L.; Caron, S.; Carquin, E.; Carrillo-Montoya, G. D.; Carter, J. R.; Carvalho, J.; Casadei, D.; Casado, M. P.; Casolino, M.; Casper, D. W.; Castaneda-Miranda, E.; Castelijn, R.; Castelli, A.; Castillo Gimenez, V.; Castro, N. F.; Catinaccio, A.; Catmore, J. R.; Cattai, A.; Caudron, J.; Cavaliere, V.; Cavallaro, E.; Cavalli, D.; Cavalli-Sforza, M.; Cavasinni, V.; Ceradini, F.; Cerda Alberich, L.; Cerio, B. C.; Cerqueira, A. S.; Cerri, A.; Cerrito, L.; Cerutti, F.; Cerv, M.; Cervelli, A.; Cetin, S. A.; Chafaq, A.; Chakraborty, D.; Chan, S. K.; Chan, Y. L.; Chang, P.; Chapman, J. D.; Charlton, D. G.; Chatterjee, A.; Chau, C. C.; Chavez Barajas, C. A.; Che, S.; Cheatham, S.; Chegwidden, A.; Chekanov, S.; Chekulaev, S. V.; Chelkov, G. A.; Chelstowska, M. A.; Chen, C.; Chen, H.; Chen, K.; Chen, S.; Chen, S.; Chen, X.; Chen, Y.; Cheng, H. C.; Cheng, H. J.; Cheng, Y.; Cheplakov, A.; Cheremushkina, E.; Cherkaoui El Moursli, R.; Chernyatin, V.; Cheu, E.; Chevalier, L.; Chiarella, V.; Chiarelli, G.; Chiodini, G.; Chisholm, A. S.; Chitan, A.; Chizhov, M. V.; Choi, K.; Chomont, A. R.; Chouridou, S.; Chow, B. K. B.; Christodoulou, V.; Chromek-Burckhart, D.; Chudoba, J.; Chuinard, A. J.; Chwastowski, J. J.; Chytka, L.; Ciapetti, G.; Ciftci, A. K.; Cinca, D.; Cindro, V.; Cioara, I. A.; Ciocca, C.; Ciocio, A.; Cirotto, F.; Citron, Z. H.; Citterio, M.; Ciubancan, M.; Clark, A.; Clark, B. L.; Clark, M. R.; Clark, P. J.; Clarke, R. N.; Clement, C.; Coadou, Y.; Cobal, M.; Coccaro, A.; Cochran, J.; Colasurdo, L.; Cole, B.; Colijn, A. P.; Collot, J.; Colombo, T.; Compostella, G.; Conde Muiño, P.; Coniavitis, E.; Connell, S. H.; Connelly, I. A.; Consorti, V.; Constantinescu, S.; Conti, G.; Conventi, F.; Cooke, M.; Cooper, B. D.; Cooper-Sarkar, A. M.; Cormier, K. J. R.; Cornelissen, T.; Corradi, M.; Corriveau, F.; Corso-Radu, A.; Cortes-Gonzalez, A.; Cortiana, G.; Costa, G.; Costa, M. J.; Costanzo, D.; Cottin, G.; Cowan, G.; Cox, B. E.; Cranmer, K.; Crawley, S. J.; Cree, G.; Crépé-Renaudin, S.; Crescioli, F.; Cribbs, W. A.; Crispin Ortuzar, M.; Cristinziani, M.; Croft, V.; Crosetti, G.; Cueto, A.; Cuhadar Donszelmann, T.; Cummings, J.; Curatolo, M.; Cúth, J.; Czirr, H.; Czodrowski, P.; D'amen, G.; D'Auria, S.; D'Onofrio, M.; Da Cunha Sargedas De Sousa, M. J.; Da Via, C.; Dabrowski, W.; Dado, T.; Dai, T.; Dale, O.; Dallaire, F.; Dallapiccola, C.; Dam, M.; Dandoy, J. R.; Dang, N. P.; Daniells, A. C.; Dann, N. S.; Danninger, M.; Dano Hoffmann, M.; Dao, V.; Darbo, G.; Darmora, S.; Dassoulas, J.; Dattagupta, A.; Davey, W.; David, C.; Davidek, T.; Davies, M.; Davison, P.; Dawe, E.; Dawson, I.; Daya-Ishmukhametova, R. K.; De, K.; de Asmundis, R.; De Benedetti, A.; De Castro, S.; De Cecco, S.; De Groot, N.; de Jong, P.; De la Torre, H.; De Lorenzi, F.; De Maria, A.; De Pedis, D.; De Salvo, A.; De Sanctis, U.; De Santo, A.; De Vivie De Regie, J. B.; Dearnaley, W. J.; Debbe, R.; Debenedetti, C.; Dedovich, D. V.; Dehghanian, N.; Deigaard, I.; Del Gaudio, M.; Del Peso, J.; Del Prete, T.; Delgove, D.; Deliot, F.; Delitzsch, C. M.; Deliyergiyev, M.; Dell'Acqua, A.; Dell'Asta, L.; Dell'Orso, M.; Della Pietra, M.; della Volpe, D.; Delmastro, M.; Delsart, P. A.; DeMarco, D. A.; Demers, S.; Demichev, M.; Demilly, A.; Denisov, S. P.; Denysiuk, D.; Derendarz, D.; Derkaoui, J. E.; Derue, F.; Dervan, P.; Desch, K.; Deterre, C.; Dette, K.; Deviveiros, P. O.; Dewhurst, A.; Dhaliwal, S.; Di Ciaccio, A.; Di Ciaccio, L.; Di Clemente, W. K.; Di Donato, C.; Di Girolamo, A.; Di Girolamo, B.; Di Micco, B.; Di Nardo, R.; Di Simone, A.; Di Sipio, R.; Di Valentino, D.; Diaconu, C.; Diamond, M.; Dias, F. A.; Diaz, M. A.; Diehl, E. B.; Dietrich, J.; Diglio, S.; Dimitrievska, A.; Dingfelder, J.; Dita, P.; Dita, S.; Dittus, F.; Djama, F.; Djobava, T.; Djuvsland, J. I.; do Vale, M. A. B.; Dobos, D.; Dobre, M.; Doglioni, C.; Dolejsi, J.; Dolezal, Z.; Donadelli, M.; Donati, S.; Dondero, P.; Donini, J.; Dopke, J.; Doria, A.; Dova, M. T.; Doyle, A. T.; Drechsler, E.; Dris, M.; Du, Y.; Duarte-Campderros, J.; Duchovni, E.; Duckeck, G.; Ducu, O. A.; Duda, D.; Dudarev, A.; Dudder, A. Chr.; Duffield, E. M.; Duflot, L.; Dührssen, M.; Dumancic, M.; Dunford, M.; Duran Yildiz, H.; Düren, M.; Durglishvili, A.; Duschinger, D.; Dutta, B.; Dyndal, M.; Eckardt, C.; Ecker, K. M.; Edgar, R. C.; Edwards, N. C.; Eifert, T.; Eigen, G.; Einsweiler, K.; Ekelof, T.; El Kacimi, M.; Ellajosyula, V.; Ellert, M.; Elles, S.; Ellinghaus, F.; Elliot, A. A.; Ellis, N.; Elmsheuser, J.; Elsing, M.; Emeliyanov, D.; Enari, Y.; Endner, O. C.; Ennis, J. 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C.; Mönig, K.; Monk, J.; Monnier, E.; Montalbano, A.; Montejo Berlingen, J.; Monticelli, F.; Monzani, S.; Moore, R. W.; Morange, N.; Moreno, D.; Moreno Llácer, M.; Morettini, P.; Morgenstern, S.; Mori, D.; Mori, T.; Morii, M.; Morinaga, M.; Morisbak, V.; Moritz, S.; Morley, A. K.; Mornacchi, G.; Morris, J. D.; Mortensen, S. S.; Morvaj, L.; Mosidze, M.; Moss, J.; Motohashi, K.; Mount, R.; Mountricha, E.; Mouraviev, S. V.; Moyse, E. J. W.; Muanza, S.; Mudd, R. D.; Mueller, F.; Mueller, J.; Mueller, R. S. P.; Mueller, T.; Muenstermann, D.; Mullen, P.; Mullier, G. A.; Munoz Sanchez, F. J.; Murillo Quijada, J. A.; Murray, W. J.; Musheghyan, H.; Muškinja, M.; Myagkov, A. G.; Myska, M.; Nachman, B. P.; Nackenhorst, O.; Nagai, K.; Nagai, R.; Nagano, K.; Nagasaka, Y.; Nagata, K.; Nagel, M.; Nagy, E.; Nairz, A. M.; Nakahama, Y.; Nakamura, K.; Nakamura, T.; Nakano, I.; Namasivayam, H.; Naranjo Garcia, R. F.; Narayan, R.; Narrias Villar, D. I.; Naryshkin, I.; Naumann, T.; Navarro, G.; Nayyar, R.; Neal, H. A.; Nechaeva, P. Yu.; Neep, T. J.; Negri, A.; Negrini, M.; Nektarijevic, S.; Nellist, C.; Nelson, A.; Nemecek, S.; Nemethy, P.; Nepomuceno, A. A.; Nessi, M.; Neubauer, M. S.; Neumann, M.; Neves, R. M.; Nevski, P.; Newman, P. R.; Nguyen, D. H.; Nguyen Manh, T.; Nickerson, R. B.; Nicolaidou, R.; Nielsen, J.; Nikiforov, A.; Nikolaenko, V.; Nikolic-Audit, I.; Nikolopoulos, K.; Nilsen, J. K.; Nilsson, P.; Ninomiya, Y.; Nisati, A.; Nisius, R.; Nobe, T.; Nomachi, M.; Nomidis, I.; Nooney, T.; Norberg, S.; Nordberg, M.; Norjoharuddeen, N.; Novgorodova, O.; Nowak, S.; Nozaki, M.; Nozka, L.; Ntekas, K.; Nurse, E.; Nuti, F.; O'grady, F.; O'Neil, D. C.; O'Rourke, A. A.; O'Shea, V.; Oakham, F. G.; Oberlack, H.; Obermann, T.; Ocariz, J.; Ochi, A.; Ochoa, I.; Ochoa-Ricoux, J. P.; Oda, S.; Odaka, S.; Ogren, H.; Oh, A.; Oh, S. H.; Ohm, C. C.; Ohman, H.; Oide, H.; Okawa, H.; Okumura, Y.; Okuyama, T.; Olariu, A.; Oleiro Seabra, L. F.; Olivares Pino, S. A.; Oliveira Damazio, D.; Olszewski, A.; Olszowska, J.; Onofre, A.; Onogi, K.; Onyisi, P. U. E.; Oreglia, M. J.; Oren, Y.; Orestano, D.; Orlando, N.; Orr, R. S.; Osculati, B.; Ospanov, R.; Otero y Garzon, G.; Otono, H.; Ouchrif, M.; Ould-Saada, F.; Ouraou, A.; Oussoren, K. P.; Ouyang, Q.; Owen, M.; Owen, R. E.; Ozcan, V. E.; Ozturk, N.; Pachal, K.; Pacheco Pages, A.; Pacheco Rodriguez, L.; Padilla Aranda, C.; Pagáčová, M.; Pagan Griso, S.; Paige, F.; Pais, P.; Pajchel, K.; Palacino, G.; Palazzo, S.; Palestini, S.; Palka, M.; Pallin, D.; Panagiotopoulou, E. St.; Pandini, C. E.; Panduro Vazquez, J. G.; Pani, P.; Panitkin, S.; Pantea, D.; Paolozzi, L.; Papadopoulou, Th. D.; Papageorgiou, K.; Paramonov, A.; Paredes Hernandez, D.; Parker, A. J.; Parker, M. A.; Parker, K. A.; Parodi, F.; Parsons, J. A.; Parzefall, U.; Pascuzzi, V. R.; Pasqualucci, E.; Passaggio, S.; Pastore, Fr.; Pásztor, G.; Pataraia, S.; Pater, J. R.; Pauly, T.; Pearce, J.; Pearson, B.; Pedersen, L. E.; Pedersen, M.; Pedraza Lopez, S.; Pedro, R.; Peleganchuk, S. V.; Penc, O.; Peng, C.; Peng, H.; Penwell, J.; Peralva, B. S.; Perego, M. M.; Perepelitsa, D. V.; Perez Codina, E.; Perini, L.; Pernegger, H.; Perrella, S.; Peschke, R.; Peshekhonov, V. D.; Peters, K.; Peters, R. F. Y.; Petersen, B. A.; Petersen, T. C.; Petit, E.; Petridis, A.; Petridou, C.; Petroff, P.; Petrolo, E.; Petrov, M.; Petrucci, F.; Pettersson, N. E.; Peyaud, A.; Pezoa, R.; Phillips, P. W.; Piacquadio, G.; Pianori, E.; Picazio, A.; Piccaro, E.; Piccinini, M.; Pickering, M. A.; Piegaia, R.; Pilcher, J. E.; Pilkington, A. D.; Pin, A. W. J.; Pinamonti, M.; Pinfold, J. L.; Pingel, A.; Pires, S.; Pirumov, H.; Pitt, M.; Plazak, L.; Pleier, M.-A.; Pleskot, V.; Plotnikova, E.; Plucinski, P.; Pluth, D.; Poettgen, R.; Poggioli, L.; Pohl, D.; Polesello, G.; Poley, A.; Policicchio, A.; Polifka, R.; Polini, A.; Pollard, C. S.; Polychronakos, V.; Pommès, K.; Pontecorvo, L.; Pope, B. G.; Popeneciu, G. A.; Popovic, D. S.; Poppleton, A.; Pospisil, S.; Potamianos, K.; Potrap, I. N.; Potter, C. J.; Potter, C. T.; Poulard, G.; Poveda, J.; Pozdnyakov, V.; Pozo Astigarraga, M. E.; Pralavorio, P.; Pranko, A.; Prell, S.; Price, D.; Price, L. E.; Primavera, M.; Prince, S.; Prokofiev, K.; Prokoshin, F.; Protopopescu, S.; Proudfoot, J.; Przybycien, M.; Puddu, D.; Purohit, M.; Puzo, P.; Qian, J.; Qin, G.; Qin, Y.; Quadt, A.; Quayle, W. B.; Queitsch-Maitland, M.; Quilty, D.; Raddum, S.; Radeka, V.; Radescu, V.; Radhakrishnan, S. K.; Radloff, P.; Rados, P.; Ragusa, F.; Rahal, G.; Raine, J. A.; Rajagopalan, S.; Rammensee, M.; Rangel-Smith, C.; Ratti, M. G.; Rauscher, F.; Rave, S.; Ravenscroft, T.; Ravinovich, I.; Raymond, M.; Read, A. L.; Readioff, N. P.; Reale, M.; Rebuzzi, D. M.; Redelbach, A.; Redlinger, G.; Reece, R.; Reeves, K.; Rehnisch, L.; Reichert, J.; Reisin, H.; Rembser, C.; Ren, H.; Rescigno, M.; Resconi, S.; Rezanova, O. L.; Reznicek, P.; Rezvani, R.; Richter, R.; Richter, S.; Richter-Was, E.; Ricken, O.; Ridel, M.; Rieck, P.; Riegel, C. J.; Rieger, J.; Rifki, O.; Rijssenbeek, M.; Rimoldi, A.; Rimoldi, M.; Rinaldi, L.; Ristić, B.; Ritsch, E.; Riu, I.; Rizatdinova, F.; Rizvi, E.; Rizzi, C.; Robertson, S. H.; Robichaud-Veronneau, A.; Robinson, D.; Robinson, J. E. M.; Robson, A.; Roda, C.; Rodina, Y.; Rodriguez Perez, A.; Rodriguez Rodriguez, D.; Roe, S.; Rogan, C. S.; Røhne, O.; Romaniouk, A.; Romano, M.; Romano Saez, S. M.; Romero Adam, E.; Rompotis, N.; Ronzani, M.; Roos, L.; Ros, E.; Rosati, S.; Rosbach, K.; Rose, P.; Rosenthal, O.; Rosien, N.-A.; Rossetti, V.; Rossi, E.; Rossi, L. P.; Rosten, J. H. N.; Rosten, R.; Rotaru, M.; Roth, I.; Rothberg, J.; Rousseau, D.; Royon, C. R.; Rozanov, A.; Rozen, Y.; Ruan, X.; Rubbo, F.; Rudolph, M. S.; Rühr, F.; Ruiz-Martinez, A.; Rurikova, Z.; Rusakovich, N. A.; Ruschke, A.; Russell, H. L.; Rutherfoord, J. P.; Ruthmann, N.; Ryabov, Y. F.; Rybar, M.; Rybkin, G.; Ryu, S.; Ryzhov, A.; Rzehorz, G. F.; Saavedra, A. F.; Sabato, G.; Sacerdoti, S.; Sadrozinski, H. F.-W.; Sadykov, R.; Safai Tehrani, F.; Saha, P.; Sahinsoy, M.; Saimpert, M.; Saito, T.; Sakamoto, H.; Sakurai, Y.; Salamanna, G.; Salamon, A.; Salazar Loyola, J. E.; Salek, D.; Sales De Bruin, P. H.; Salihagic, D.; Salnikov, A.; Salt, J.; Salvatore, D.; Salvatore, F.; Salvucci, A.; Salzburger, A.; Sammel, D.; Sampsonidis, D.; Sanchez, A.; Sánchez, J.; Sanchez Martinez, V.; Sandaker, H.; Sandbach, R. L.; Sander, H. G.; Sandhoff, M.; Sandoval, C.; Sandstroem, R.; Sankey, D. P. C.; Sannino, M.; Sansoni, A.; Santoni, C.; Santonico, R.; Santos, H.; Santoyo Castillo, I.; Sapp, K.; Sapronov, A.; Saraiva, J. G.; Sarrazin, B.; Sasaki, O.; Sasaki, Y.; Sato, K.; Sauvage, G.; Sauvan, E.; Savage, G.; Savard, P.; Savic, N.; Sawyer, C.; Sawyer, L.; Saxon, J.; Sbarra, C.; Sbrizzi, A.; Scanlon, T.; Scannicchio, D. A.; Scarcella, M.; Scarfone, V.; Schaarschmidt, J.; Schacht, P.; Schachtner, B. M.; Schaefer, D.; Schaefer, R.; Schaeffer, J.; Schaepe, S.; Schaetzel, S.; Schäfer, U.; Schaffer, A. C.; Schaile, D.; Schamberger, R. D.; Scharf, V.; Schegelsky, V. A.; Scheirich, D.; Schernau, M.; Schiavi, C.; Schier, S.; Schillo, C.; Schioppa, M.; Schlenker, S.; Schmidt-Sommerfeld, K. R.; Schmieden, K.; Schmitt, C.; Schmitt, S.; Schmitz, S.; Schneider, B.; Schnoor, U.; Schoeffel, L.; Schoening, A.; Schoenrock, B. D.; Schopf, E.; Schott, M.; Schovancova, J.; Schramm, S.; Schreyer, M.; Schuh, N.; Schulte, A.; Schultens, M. J.; Schultz-Coulon, H.-C.; Schulz, H.; Schumacher, M.; Schumm, B. A.; Schune, Ph.; Schwartzman, A.; Schwarz, T. A.; Schweiger, H.; Schwemling, Ph.; Schwienhorst, R.; Schwindling, J.; Schwindt, T.; Sciolla, G.; Scuri, F.; Scutti, F.; Searcy, J.; Seema, P.; Seidel, S. C.; Seiden, A.; Seifert, F.; Seixas, J. M.; Sekhniaidze, G.; Sekhon, K.; Sekula, S. J.; Seliverstov, D. M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sivoklokov, S. Yu.; Sjölin, J.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smiesko, J.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Song, H. Y.; Sood, A.; Sopczak, A.; Sopko, V.; Sorin, V.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; Denis, R. D. St.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tan, K. G.; Tanaka, J.; Tanaka, M.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Thamm, A.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Torre, R.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tu, Y.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turgeman, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tyndel, M.; Ucchielli, G.; Ueda, I.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valdes Santurio, E.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Valls Ferrer, J. A.; Van Den Wollenberg, W.; Van Der Deijl, P. C.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; Van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veeraraghavan, V.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, W.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, M. D.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A.; White, M. J.; White, R.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wolf, T. M. H.; Wolter, M. W.; Wolters, H.; Worm, S. D.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xi, Z.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; zur Nedden, M.; Zwalinski, L.

2016-09-01

Searches for new heavy resonances decaying to WW, WZ, and ZZ bosons are presented, using a data sample corresponding to 3.2 fb-1 of pp collisions at √{s}=13 TeV collected with the ATLAS detector at the CERN Large Hadron Collider. Analyses selecting ννqq, ℓνqq, ℓℓqq and qqqq final states are combined, searching for an arrow-width resonance with mass between 500 and 3000 GeV. The discriminating variable is either an invariant mass or a transverse mass. No significant deviations from the Standard Model predictions are observed. Three benchmark models are tested: a model predicting the existence of a new heavy scalar singlet, a simplified model predicting a heavy vector-boson triplet, and a bulk Randall-Sundrum model with a heavy spin-2 graviton. Cross-section limits are set at the 95% confidence level and are compared to theoretical cross-section predictions for a variety of models. The data exclude a scalar singlet with mass below 2650 GeV, a heavy vector-boson triplet with mass below 2600 GeV, and a graviton with mass below 1100 GeV. These results significantly extend the previous limits set using pp collisions at √{s}=8 TeV. [Figure not available: see fulltext.
Testing an integrated behavioural and biomedical model of disability in N-of-1 studies with chronic pain.

PubMed

Quinn, Francis; Johnston, Marie; Johnston, Derek W

2013-01-01

Previous research has supported an integrated biomedical and behavioural model explaining activity limitations. However, further tests of this model are required at the within-person level, because while it proposes that the constructs are related within individuals, it has primarily been tested between individuals in large group studies. We aimed to test the integrated model at the within-person level. Six correlational N-of-1 studies in participants with arthritis, chronic pain and walking limitations were carried out. Daily measures of theoretical constructs were collected using a hand-held computer (PDA), the activity was assessed by self-report and accelerometer and the data were analysed using time-series analysis. The biomedical model was not supported as pain impairment did not predict activity, so the integrated model was supported partially. Impairment predicted intention to move around, while perceived behavioural control (PBC) and intention predicted activity. PBC did not predict activity limitation in the expected direction. The integrated model of disability was partially supported within individuals, especially the behavioural elements. However, results suggest that different elements of the model may drive activity (limitations) for different individuals. The integrated model provides a useful framework for understanding disability and suggests interventions, and the utility of N-of-1 methodology for testing theory is illustrated.
Development of a wideband pulse quaternary modulation system. [for an operational 400 Mbps baseband laser communication system

NASA Technical Reports Server (NTRS)

Federhofer, J. A.

1974-01-01

Laboratory data verifying the pulse quaternary modulation (PQM) theoretical predictions is presented. The first laboratory PQM laser communication system was successfully fabricated, integrated, tested and demonstrated. System bit error rate tests were performed and, in general, indicated approximately a 2 db degradation from the theoretically predicted results. These tests indicated that no gross errors were made in the initial theoretical analysis of PQM. The relative ease with which the entire PQM laboratory system was integrated and tested indicates that PQM is a viable candidate modulation scheme for an operational 400 Mbps baseband laser communication system.
Experimental and theoretical rotordynamic stiffness coefficients for a three-stage brush seal

NASA Astrophysics Data System (ADS)

Pugachev, A. O.; Deckner, M.

2012-08-01

Experimental and theoretical results are presented for a multistage brush seal. Experimental stiffness is obtained from integrating circumferential pressure distribution measured in seal cavities. A CFD analysis is used to predict seal performance. Bristle packs are modeled by the porous medium approach. Leakage is predicted well by the CFD method. Theoretical stiffness coefficients are in reasonable agreement with the measurements. Experimental results are also compared with a three-teeth-on-stator labyrinth seal. The multistage brush seal gives about 60% leakage reduction over the labyrinth seal. Rotordynamic stiffness coefficients are also improved: the brush seal has positive direct stiffness and smaller cross-coupled stiffness.
Comparison of experimental and theoretical boundary-layer separation for inlets at incidence angle at low-speed conditions

NASA Technical Reports Server (NTRS)

Felderman, E. J.; Albers, J. A.

1975-01-01

Comparisons between experimental and theoretical Mach number distributions and separation locations are presented for the internal surfaces of four different subsonic inlet geometries with exit diameters of 13.97 centimeters. The free stream Mach number was held constant at 0.127, the one-dimensional throat Mach number ranged from 0.49 to 0.71, and the incidence angle ranged from 0 deg to 50 deg. Generally good agreement was found between the theoretical and experimental surface Mach number distributions as long as no flow separation existed. At high incidence angles, where separation was obvious in the experimental data, the theory predicted separation on the lip. At lower incidence angles, the theoretical results indicated diffuser separation which was not obvious from the experimental surface Mach number distributions. As incidence angle was varied from 0 deg to 50 deg, the predicted separation location shifted from the diffuser region to the inlet highlight. Relatively small total pressure losses were obtained when the predicted separation location was greater than 0.6 of the distance between the highlight and the diffuser exit.

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