Structural properties of lead-lithium alloys

NASA Astrophysics Data System (ADS)

Khambholja, S. G.; Satikunvar, D. D.; Abhishek, Agraj; Thakore, B. Y.

2018-05-01

Lead-Lihtium alloys have found large number of applications as liquid metal coolants in nuclear reactors. Large number of experimental work is reported for this system. However, complete theoretical description is still rare. In this scenario, we in the present work report the study of ground state properties of Lead-Lithium system. The present study is performed using plane wave pseudopotential density functional theory as implemented in Quantum ESPRESSO package. The theoretical findings are in agreement with previously reported experimental data. Some conclusions are drawn based on present study, which will be helpful for a comprehensive study.

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.

Models and theories of prescribing decisions: A review and suggested a new model.

PubMed

Murshid, Mohsen Ali; Mohaidin, Zurina

2017-01-01

To date, research on the prescribing decisions of physician lacks sound theoretical foundations. In fact, drug prescribing by doctors is a complex phenomenon influenced by various factors. Most of the existing studies in the area of drug prescription explain the process of decision-making by physicians via the exploratory approach rather than theoretical. Therefore, this review is an attempt to suggest a value conceptual model that explains the theoretical linkages existing between marketing efforts, patient and pharmacist and physician decision to prescribe the drugs. The paper follows an inclusive review approach and applies the previous theoretical models of prescribing behaviour to identify the relational factors. More specifically, the report identifies and uses several valuable perspectives such as the 'persuasion theory - elaboration likelihood model', the stimuli-response marketing model', the 'agency theory', the theory of planned behaviour,' and 'social power theory,' in developing an innovative conceptual paradigm. Based on the combination of existing methods and previous models, this paper suggests a new conceptual model of the physician decision-making process. This unique model has the potential for use in further research.

Theoretical NMR and conformational analysis of solvated oximes for organophosphates-inhibited acetylcholinesterase reactivation

NASA Astrophysics Data System (ADS)

da Silva, Jorge Alberto Valle; Modesto-Costa, Lucas; de Koning, Martijn C.; Borges, Itamar; França, Tanos Celmar Costa

2018-01-01

In this work, quaternary and non-quaternary oximes designed to bind at the peripheral site of acetylcholinesterase previously inhibited by organophosphates were investigated theoretically. Some of those oximes have a large number of degrees of freedom, thus requiring an accurate method to obtain molecular geometries. For this reason, the density functional theory (DFT) was employed to refine their molecular geometries after conformational analysis and to compare their 1H and 13C nuclear magnetic resonance (NMR) theoretical signals in gas-phase and in solvent. A good agreement with experimental data was achieved and the same theoretical approach was employed to obtain the geometries in water environment for further studies.

Nursing theory and concept development: a theoretical model of clinical nurses' intentions to stay in their current positions.

PubMed

Cowden, Tracy L; Cummings, Greta G

2012-07-01

We describe a theoretical model of staff nurses' intentions to stay in their current positions. The global nursing shortage and high nursing turnover rate demand evidence-based retention strategies. Inconsistent study outcomes indicate a need for testable theoretical models of intent to stay that build on previously published models, are reflective of current empirical research and identify causal relationships between model concepts. Two systematic reviews of electronic databases of English language published articles between 1985-2011. This complex, testable model expands on previous models and includes nurses' affective and cognitive responses to work and their effects on nurses' intent to stay. The concepts of desire to stay, job satisfaction, joy at work, and moral distress are included in the model to capture the emotional response of nurses to their work environments. The influence of leadership is integrated within the model. A causal understanding of clinical nurses' intent to stay and the effects of leadership on the development of that intention will facilitate the development of effective retention strategies internationally. Testing theoretical models is necessary to confirm previous research outcomes and to identify plausible sequences of the development of behavioral intentions. Increased understanding of the causal influences on nurses' intent to stay should lead to strategies that may result in higher retention rates and numbers of nurses willing to work in the health sector. © 2012 Blackwell Publishing Ltd.

Theoretical Dipole Moment for the X211 State of NO

NASA Technical Reports Server (NTRS)

Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Partridge, Harry; Arnold, James O. (Technical Monitor)

1994-01-01

The dipole moment function for the X(sup 2)II state of NO is studied as a function of the completeness in both the one- and n-particle spaces. Einstein coefficients are presented that are significantly more accurate than previous tabulations for the higher vibrational levels. The theoretical values give considerable insight into the limitations of recently published ratios of Einstein coefficients measured by spectrally resolved infrared chemiluminescence.

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.

Microwave-signal generation in a planar Gunn diode with radiation exposure taken into account

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

Obolenskaya, E. S., E-mail: bess009@mail.ru, E-mail: obolensk@rf.unn.ru; Tarasova, E. A.; Churin, A. Yu.

2016-12-15

Microwave-signal generation in planar Gunn diodes with a two-dimensional electron gas, in which we previously studied steady-state electron transport, is theoretically studied. The applicability of a control electrode similar to a field-effect transistor gate to control the parameters of the output diode microwave signal is considered. The results of physical-topological modeling of semiconductor structures with different diode active-region structures, i.e., without a quantum well, with one and two quantum wells separated by a potential barrier, are compared. The calculated results are compared with our previous experimental data on recording Gunn generation in a Schottky-gate field-effect transistor. It is theoretically andmore » experimentally shown that the power of the signal generated by the planar Gunn diode with a quantum well and a control electrode is sufficient to implement monolithic integrated circuits of different functionalities. It is theoretically and experimentally shown that the use of a control electrode on account of the introduction of corrective feedback allows a significant increase in the radiation resistance of a microwave generator with Schottky-gate field-effect transistors.« less

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.

Theoretical model for optical properties of porphyrin

NASA Astrophysics Data System (ADS)

Phan, Anh D.; Nga, Do T.; Phan, The-Long; Thanh, Le T. M.; Anh, Chu T.; Bernad, Sophie; Viet, N. A.

2014-12-01

We propose a simple model to interpret the optical absorption spectra of porphyrin in different solvents. Our model successfully explains the decrease in the intensity of optical absorption at maxima of increased wavelengths. We also prove the dependence of the intensity and peak positions in the absorption spectra on the environment. The nature of the Soret band is supposed to derive from π plasmon. Our theoretical calculations are consistent with previous experimental studies.

A Diagnostic Marker to Discriminate Childhood Apraxia of Speech from Speech Delay: III. Theoretical Coherence of the Pause Marker with Speech Processing Deficits in Childhood Apraxia of Speech

ERIC Educational Resources Information Center

Shriberg, Lawrence D.; Strand, Edythe A.; Fourakis, Marios; Jakielski, Kathy J.; Hall, Sheryl D.; Karlsson, Heather B.; Mabie, Heather L.; McSweeny, Jane L.; Tilkens, Christie M.; Wilson, David L.

2017-01-01

Purpose: Previous articles in this supplement described rationale for and development of the pause marker (PM), a diagnostic marker of childhood apraxia of speech (CAS), and studies supporting its validity and reliability. The present article assesses the theoretical coherence of the PM with speech processing deficits in CAS. Method: PM and other…

Models and theories of prescribing decisions: A review and suggested a new model

PubMed Central

Mohaidin, Zurina

2017-01-01

To date, research on the prescribing decisions of physician lacks sound theoretical foundations. In fact, drug prescribing by doctors is a complex phenomenon influenced by various factors. Most of the existing studies in the area of drug prescription explain the process of decision-making by physicians via the exploratory approach rather than theoretical. Therefore, this review is an attempt to suggest a value conceptual model that explains the theoretical linkages existing between marketing efforts, patient and pharmacist and physician decision to prescribe the drugs. The paper follows an inclusive review approach and applies the previous theoretical models of prescribing behaviour to identify the relational factors. More specifically, the report identifies and uses several valuable perspectives such as the ‘persuasion theory - elaboration likelihood model’, the stimuli–response marketing model’, the ‘agency theory’, the theory of planned behaviour,’ and ‘social power theory,’ in developing an innovative conceptual paradigm. Based on the combination of existing methods and previous models, this paper suggests a new conceptual model of the physician decision-making process. This unique model has the potential for use in further research. PMID:28690701

Theoretical study on the ring-opening hydrolysis reactions of N-alkylmaleimide dimers

NASA Astrophysics Data System (ADS)

Tan, Xue-Jie; Wang, Chao; Guo, Xian-Kun

2018-01-01

On the basis of our previous experimental results, the ring-opening hydrolysis reaction mechanisms of two kinds of N-alkylmaleimide dimers without or with the assistance of one and two water molecules have been theoretically investigated in detail. All possible geometries were optimized using the B3LYP/6-311+G(d,p)//B3LYP/6-31+G(d) method in the gas phase and ethanol solution. Calculated results show that every pathway is a four-step hydrolytic degradation process and every step could occur in a concerted way, instead of previously suggested asynchronous stepwise mechanism. Extra H2O or ethanol could act as carriers of proton. The results are consistent with experimental observations.

Intelligence, previous convictions and interrogative suggestibility: a path analysis of alleged false-confession cases.

PubMed

Sharrock, R; Gudjonsson, G H

1993-05-01

The main purpose of this study was to investigate the relationship between interrogative suggestibility and previous convictions among 108 defendants in criminal trials, using a path analysis technique. It was hypothesized that previous convictions, which may provide defendants with interrogative experiences, would correlate negatively with 'shift' as measured by the Gudjonsson Suggestibility Scale (Gudjonsson, 1984a), after intelligence and memory had been controlled for. The hypothesis was partially confirmed and the theoretical and practical implications of the findings are discussed.

On previous and present investigations of resonance gamma-ray interaction with nuclei at the Institute of Theoretical and Experimental Physics (ITEP, Moscow)

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

Davydov, A. V.

A brief survey of theoretical and experimental work that is devoted to studying the resonance absorption and scattering of gamma rays by nuclei and which was initiated at the Institute of Theoretical and Experimental Physics (ITEP, Moscow) in the 1950s and has been continued to date is given. Investigations of various versions of interaction in beta decay, magnetic-field-perturbed angular distributions of resonantly scattered gamma rays, the problem of the Moessbauer gamma resonance of long-lived isomeric states of nuclei, and the resonance scattering of annihilation photons by nuclei are described.

Theoretical study on a water muffler

NASA Astrophysics Data System (ADS)

Du, T.; Chen, Y. W.; Miao, T. C.; Wu, D. Z.

2016-05-01

Theoretical computation on a previously studied water muffler is carried out in this article. Structure of the water muffler is composed of two main parts, namely, the Kevlar- reinforced rubber tube and the inner-noise-reduction structure. Rubber wall of the rubber tube is assumed to function as rigid wall lined with sound absorption material and is described by a complex radial wave number. Comparison among the results obtained from theoretical computation, FEM (finite element method) simulation and experiment of the rubber tube and that of the water muffler has been made. The theoretical results show a good accordance in general tendency with the FEM simulated and the measured results. After that, parametric study on the diameter of the inner structure and that of the rubber tube is conducted. Results show that the diameter of the left inner structure has the most significant effect on the SPL of the water muffler due to its location and its effect on the diameter ratio D2/D1.

Information theoretic quantification of diagnostic uncertainty.

PubMed

Westover, M Brandon; Eiseman, Nathaniel A; Cash, Sydney S; Bianchi, Matt T

2012-01-01

Diagnostic test interpretation remains a challenge in clinical practice. Most physicians receive training in the use of Bayes' rule, which specifies how the sensitivity and specificity of a test for a given disease combine with the pre-test probability to quantify the change in disease probability incurred by a new test result. However, multiple studies demonstrate physicians' deficiencies in probabilistic reasoning, especially with unexpected test results. Information theory, a branch of probability theory dealing explicitly with the quantification of uncertainty, has been proposed as an alternative framework for diagnostic test interpretation, but is even less familiar to physicians. We have previously addressed one key challenge in the practical application of Bayes theorem: the handling of uncertainty in the critical first step of estimating the pre-test probability of disease. This essay aims to present the essential concepts of information theory to physicians in an accessible manner, and to extend previous work regarding uncertainty in pre-test probability estimation by placing this type of uncertainty within a principled information theoretic framework. We address several obstacles hindering physicians' application of information theoretic concepts to diagnostic test interpretation. These include issues of terminology (mathematical meanings of certain information theoretic terms differ from clinical or common parlance) as well as the underlying mathematical assumptions. Finally, we illustrate how, in information theoretic terms, one can understand the effect on diagnostic uncertainty of considering ranges instead of simple point estimates of pre-test probability.

A combined crossed molecular beams and theoretical study of the reaction CN + C2H4

NASA Astrophysics Data System (ADS)

Balucani, Nadia; Leonori, Francesca; Petrucci, Raffaele; Wang, Xingan; Casavecchia, Piergiorgio; Skouteris, Dimitrios; Albernaz, Alessandra F.; Gargano, Ricardo

2015-03-01

The CN + C2H4 reaction has been investigated experimentally, in crossed molecular beam (CMB) experiments at the collision energy of 33.4 kJ/mol, and theoretically, by electronic structure calculations of the relevant potential energy surface and Rice-Ramsperger-Kassel-Marcus (RRKM) estimates of the product branching ratio. Differently from previous CMB experiments at lower collision energies, but similarly to a high energy study, we have some indication that a second reaction channel is open at this collision energy, the characteristics of which are consistent with the channel leading to CH2CHNC + H. The RRKM estimates using M06L electronic structure calculations qualitatively support the experimental observation of C2H3NC formation at this and at the higher collision energy of 42.7 kJ/mol of previous experiments.

Theoretical studies of solar lasers and converters

NASA Technical Reports Server (NTRS)

Heinbockel, John H.

1988-01-01

The previously constructed one dimensional model for the simulated operation of an iodine laser assumed that the perfluoroalkyl iodide gas n-C3F7I was incompressible. The present study removes this simplifying assumption and considers n-C3F7I as a compressible fluid.

Standards of Multimedia Graphic Design in Education

ERIC Educational Resources Information Center

Aldalalah, Osamah Ahmad; Ababneh, Ziad Waleed Mohamed

2015-01-01

This study aims to determine Standards of Multimedia Graphic Design in Education through the analysis of the theoretical basis and previous studies related to this subject. This study has identified the list of standards of Multimedia, Graphic Design, each of which has a set indicator through which the quality of Multimedia can be evaluated in…

Recent study of beam stability in the PSR

NASA Astrophysics Data System (ADS)

Wang, T. S. F.; Cooper, R.; Fitzgerald, D.; Frankle, S.; Hardek, T.; Hutson, R.; Macek, R.; Ohmori, C.; Plum, M.; Thiessen, H.

1993-05-01

A fast transverse instability with beam loss has been observed in the 800 MeV Los Alamos Pro Ring (PSR) when the injected beam intensity reaches 2 - 4(10)(exp 13) protons per pulse. Previous observations indicate that the instability is most likely driven by electrons trapped within the proton beam. Theoretical study shown that beam leakage into the inter-bunch gap leads to electron trapping. Recent experiments were carried out by using the newly implemented 'pinger' and by varying the machine transition gamma to explore further the 'e-p' instability and the nature of the instability. This paper summarizes some of these recent experimental results and theoretical studies.

Normal modes of synchronous rotation

NASA Astrophysics Data System (ADS)

Varadi, Ferenc; Musotto, Susanna; Moore, William; Schubert, Gerald

2005-07-01

The dynamics of synchronous rotation and physical librations are revisited in order to establish a conceptually simple and general theoretical framework applicable to a variety of problems. Our motivation comes from disagreements between the results of numerical simulations and those of previous theoretical studies, and also because different theoretical studies disagree on basic features of the dynamics. We approach the problem by decomposing the orientation matrix of the body into perfectly synchronous rotation and deviation from the equilibrium state. The normal modes of the linearized equations are computed in the case of a circular satellite orbit, yielding both the periods and the eigenspaces of three librations. Libration in longitude decouples from the other two, vertical modes. There is a fast vertical mode with a period very close to the average rotational period. It corresponds to tilting the body around a horizontal axis while retaining nearly principal-axis rotation. In the inertial frame, this mode appears as nutation and free precession. The other vertical mode, a slow one, is the free wobble. The effects of the nodal precession of the orbit are investigated from the point of view of Cassini states. We test our theory using numerical simulations of the full equations of the dynamics and discuss the disagreements among our study and previous ones. The numerical simulations also reveal that in the case of eccentric orbits large departures from principal-axis rotation are possible due to a resonance between free precession and wobble. We also revisit the history of the Moon's rotational state and show that it switched from one Cassini state to another when it was at 46.2 Earth radii. This number disagrees with the value 34.2 derived in a previous study.

Effect of microfibril twisting in theoretical powder diffraction studies of cellulose Iß

USDA-ARS?s Scientific Manuscript database

Previous studies of calculated diffraction patterns for cellulose crystallites have suggested that the distortions arising once models have been subjected to MD simulation are likely the result of dimensional changes induced by the empirical force field, but have been unable to determine to what ext...

Spanish Second Language Acquisition: State of the Science.

ERIC Educational Resources Information Center

Lafford, Barbara A., Ed.; Salaberry, Rafael, Ed.

This collection of papers provides an overview of previous studies on the acquisition of Spanish as a second or foreign language, theoretical approaches used in these studies, and effects of various pedagogical approaches on the development of Spanish interlanguage systems. The 10 chapters include the following: (1) "Phonology: Staking Out…

The Effects of Marijuana on Human Cognition.

ERIC Educational Resources Information Center

Pearl, Joseph H.

Investigating the effects of marijuana on human psychological functioning, this study differs from previous research in two ways: 1) it is concerned with relatively complex cognitive processes; 2) it has a theoretical rationale. The general hypothesis of the study states that marijuana will impair its user's ability to form and use abstract…

An Investigational Analysis of Problem Drinking among a Commuter College Population.

ERIC Educational Resources Information Center

Bebo, Joseph A.

2003-01-01

Previous literature has identified a number of variables that lead to substance abuse behavior. Studies that take a multifaceted, theoretical approach are limited. This study proposes the integration of differential association, social learning, social bonding, seduction and self-control theories. Proposes that a multifaceted approach contributes…

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…

Theoretical and experimental study of a fiber optic microphone

NASA Technical Reports Server (NTRS)

Hu, Andong; Cuomo, Frank W.; Zuckerwar, Allan J.

1992-01-01

Modifications to condenser microphone theory yield new expressions for the membrane deflections at its center, which provide the basic theory for the fiber optic microphone. The theoretical analysis for the membrane amplitude and the phase response of the fiber optic microphone is given in detail in terms of its basic geometrical quantities. A relevant extension to the original concepts of the optical microphone includes the addition of a backplate with holes similar in design to present condenser microphone technology. This approach generates improved damping characteristics and extended frequency response that were not previously considered. The construction and testing of the improved optical fiber microphone provide experimental data that are in good agreement with the theoretical analysis.

Cancellation of factorials

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

Zudilin, W W

2001-08-31

An arithmetical property allowing an improvement of some number-theoretic estimates is studied. Previous results were mostly qualitative. Application of quantitative results of the paper to the class of generalized hypergeometric G-functions extends the set of irrational numbers representable as values of these functions.

A Study of Business Student Choice to Study Abroad: A Test of the Theory of Planned Behavior

ERIC Educational Resources Information Center

Presley, Adrien; Damron-Martinez, Datha; Zhang, Lin

2010-01-01

Study abroad experiences are becoming increasingly common with business students. In this study, we build upon previous research into the motivations of students to study abroad by using Ajzen's Theory of Planned Behavior as a theoretical basis for identifying the factors which might influence their intention to study abroad. A survey administered…

Medication competency of nurses according to theoretical and drug calculation online exams: A descriptive correlational study.

PubMed

Sneck, Sami; Saarnio, Reetta; Isola, Arja; Boigu, Risto

2016-01-01

Medication administration is an important task of registered nurses. According to previous studies, nurses lack theoretical knowledge and drug calculation skills and knowledge-based mistakes do occur in clinical practice. Finnish health care organizations started to develop a systematic verification processes for medication competence at the end of the last decade. No studies have yet been made of nurses' theoretical knowledge and drug calculation skills according to these online exams. The aim of this study was to describe the medication competence of Finnish nurses according to theoretical and drug calculation exams. A descriptive correlation design was adopted. Participants and settings All nurses who participated in the online exam in three Finnish hospitals between 1.1.2009 and 31.05.2014 were selected to the study (n=2479). Quantitative methods like Pearson's chi-squared tests, analysis of variance (ANOVA) with post hoc Tukey tests and Pearson's correlation coefficient were used to test the existence of relationships between dependent and independent variables. The majority of nurses mastered the theoretical knowledge needed in medication administration, but 5% of the nurses struggled with passing the drug calculation exam. Theoretical knowledge and drug calculation skills were better in acute care units than in the other units and younger nurses achieved better results in both exams than their older colleagues. The differences found in this study were statistically significant, but not high. Nevertheless, even the tiniest deficiency in theoretical knowledge and drug calculation skills should be focused on. It is important to identify the nurses who struggle in the exams and to plan targeted educational interventions for supporting them. The next step is to study if verification of medication competence has an effect on patient safety. Copyright © 2015 Elsevier Ltd. All rights reserved.

Ozone Production and Loss Rate Measurements in the Middle Stratosphere

NASA Technical Reports Server (NTRS)

Jucks, Kenneth W.; Johnson, David G.; Chance, K. V.; Traub, Wesley A.; Salawitch, R. J.; Stachnik, R. A.

1996-01-01

The first simultaneous measurements of HO(x), NO(x), and Cl(x) radicals in the middle stratosphere show that NO(x) catalytic cycles dominate loss of ozone (O3) for altitudes between 24 and 38 km; Cl(x) catalytic cycles are measured to be less effective than previously expected; and there is no 'ozone deficit' in the photochemically dominated altitude range from 31 and 38 km, contrary to some previous theoretical studies.

Re-Exploring Game-Assisted Learning Research: The Perspective of Learning Theoretical Bases

ERIC Educational Resources Information Center

Wu, Wen-Hsiung; Chiou, Wen-Bin; Kao, Hao-Yun; Hu, Chung-Hsing Alex; Huang, Sih-Han

2012-01-01

Previous literature reviews or meta-analysis based studies on game-assisted learning have provided important results, but few studies have considered the importance of learning theory, and coverage of papers after 2007 is scant. This study presents a systematic review of the literature using a meta-analysis approach to provide a more comprehensive…

A Review on Studies of Phrasal Verb Constructions in ESL Context

ERIC Educational Resources Information Center

Jahedi, Maryam; Mukundan, Jayakaran

2015-01-01

This paper aims to give an overview of studies on phrasal verbs in three decades to present the theoretical and methodological issues, as well as the findings of research. Moreover, this review reveals the developments and paradigm shifts occurred in this area. Previous studies have shown that the research findings have not been incorporated into…

The Latent Structure of Dietary Restraint, Body Dissatisfaction, and Drive for Thinness: A Series of Taxometric Analyses

ERIC Educational Resources Information Center

Holm-Denoma, Jill M.; Richey, J. Anthony; Joiner, Thomas E., Jr.

2010-01-01

Although the latent structure of various eating disorders has been explored in previous studies, no published studies have examined the latent structure of theoretically relevant variables that have been shown to cut across eating disorder diagnoses. The current study examined 3 such variables (dietary restraint, body dissatisfaction, and drive…

Photoelectron Angular Distributions of Transition Metal Dioxide Anions - a joint experimental and theoretical study

NASA Astrophysics Data System (ADS)

Iordanov, Ivan; Gunaratne, Dasitha; Harmon, Christopher; Sofo, Jorge; Castleman, A. W., Jr.

2012-02-01

Angular-resolved photoelectron spectroscopy (PES) studies of the MO2- (M=Ti, Zr, Hf, Co, Rh) clusters are presented for the first time along with theoretical calculations of their properties. We confirm previously reported non-angular PES results for the vertical detachment energies (VDE), vibrational energies and geometric structures of these clusters and further explore the effect of the 'lanthanide contraction' on the MO2- clusters by comparing the electronic spectra of 4d and 5d transition metal dioxides. Angular-resolved PES provides the angular momentum contributions to the HOMO of these clusters and we use theoretical calculations to examine the HOMO and compare to our experimental results. First-principles calculations are done using both density functional theory (DFT) and the coupled-cluster, singles, doubles and triples (CCSD(T)) methods.

Occupational Decision-Related Processes for Amotivated Adolescents: Confirmation of a Model

ERIC Educational Resources Information Center

Jung, Jae Yup; McCormick, John

2011-01-01

This study developed and (statistically) confirmed a new model of the occupational decision-related processes of adolescents, in terms of the extent to which they may be amotivated about choosing a future occupation. A theoretical framework guided the study. A questionnaire that had previously been administered to an Australian adolescent sample…

The Measurement and Dimensionality of Mobile Learning Systems Success: Two-Stage Development and Validation

ERIC Educational Resources Information Center

Lin, Hsin-Hui; Wang, Yi-Shun; Li, Ci-Rong; Shih, Ying-Wei; Lin, Shin-Jeng

2017-01-01

The main purpose of this study is to develop and validate a multidimensional instrument for measuring mobile learning systems success (MLSS) based on the previous research. This study defines the construct of MLSS, develops a generic MLSS instrument with desirable psychometric properties, and explores the instrument's theoretical and practical…

Designing Large-Scale Multisite and Cluster-Randomized Studies of Professional Development

ERIC Educational Resources Information Center

Kelcey, Ben; Spybrook, Jessaca; Phelps, Geoffrey; Jones, Nathan; Zhang, Jiaqi

2017-01-01

We develop a theoretical and empirical basis for the design of teacher professional development studies. We build on previous work by (a) developing estimates of intraclass correlation coefficients for teacher outcomes using two- and three-level data structures, (b) developing estimates of the variance explained by covariates, and (c) modifying…

Confirming the Multidimensionality of Psychologically Controlling Parenting among Chinese-American Mothers: Love Withdrawal, Guilt Induction, and Shaming

ERIC Educational Resources Information Center

Yu, Jing; Cheah, Charissa S. L.; Hart, Craig H.; Sun, Shuyan; Olsen, Joseph A.

2015-01-01

Despite the theoretical conceptualization of parental psychological control as a multidimensional construct, the majority of previous studies have examined psychological control as a unidimensional scale. Moreover, the conceptualization of shaming and its associations with love withdrawal and guilt induction are unclear. The current study aimed to…

A Retest of Two HIV Disclosure Theories: The Women's Story

ERIC Educational Resources Information Center

Serovich, Julianne M.; Lim, Ji-Young; Mason, Tina L.

2008-01-01

The purpose of this study was to evaluate the applicability of two theories of HIV disclosure previously tested with men. Participants included 125 HIV-positive women enrolled in a larger, longitudinal study of HIV disclosure and mental health. Structural equation modeling was used to analyze the proposed theoretical models. The disease…

An Australian Study of Possible Selves Perceived by Undergraduate Engineering Students

ERIC Educational Resources Information Center

Bennett, Dawn; Male, Sally A.

2017-01-01

In this study, we worked with second-year engineering students at an Australian university to examine previously identified threshold concepts within the theoretical framework of Possible Selves. Using workshops as the context for intensive work with students, students were encouraged to consider their future lives and work, including their…

Density and Proximity of Licensed Tobacco Retailers and Adolescent Smoking: A Narrative Review

ERIC Educational Resources Information Center

Gwon, Seok Hyun; DeGuzman, Pamela B.; Kulbok, Pamela A.; Jeong, Suyong

2017-01-01

Adolescent smoking prevention is an important issue in health care. This literature review describes the theoretical concept of ecological model for adolescent smoking and tobacco retailers and summarizes previous studies on the association between the density and proximity of tobacco retailers and adolescent smoking. We reviewed nine studies on…

Consonant-Vowel Co-Occurrence Patterns in Mandarin-Learning Infants

ERIC Educational Resources Information Center

Chen, Li-Mei; Kent, Raymond D.

2005-01-01

Most studies on CV co-occurrence patterns in early phonetic development have been based on Indo-European languages. Data from infants learning Mandarin, which has a substantially different phonological system from Indo-European languages, can confirm or refute the findings of previous studies, thus shedding further light on the theoretical bases…

Mode Deactivation Therapy (MDT): A Theoretical Case Analysis on a Suicidal Adolescent

ERIC Educational Resources Information Center

Apsche, Jack A.; Siv, Alexander M.

2005-01-01

This case study presents a case study of the effectiveness of Mode deactivation therapy (MDT) (Apsche, Bass, Jennings, Murphy, Hunter, and Siv, 2005) with an adolescent male, with reactive conduct disorder, PTSD and 8 lethal suicide attempts. The youngster was hospitalized four times for suicide attempts, three previous placements in residential…

Theoretical studies in support of the 3M-vapor transport (PVTOS-) experiments

NASA Technical Reports Server (NTRS)

Rosner, Daniel E.; Keyes, David E.

1989-01-01

Results are reported for a preliminary theoretical study of the coupled mass-, momentum-, and heat-transfer conditions expected within small ampoules used to grow oriented organic solid (OS-) films, by physical vapor transport (PVT) in microgravity environments. It is show that previous studies made restrictive assumptions (e.g., smallness of delta T/T, equality of molecular diffusivities) not valid under PVTOS conditions, whereas the important phenomena of sidewall gas creep, Soret transport of the organic vapor, and large vapor phase supersaturations associated with the large prevailing temperature gradients were not previously considered. Rational estimates are made of the molecular transport properties relevant to copper-phthalocyanine monomeric vapor in a gas mixture containing H2(g) and Xe(g). Efficient numerical methods have been developed and are outlined/illustrated here to making steady axisymmetric gas flow calculations within such ampoules, allowing for realistic realistic delta T/T(sub)w-values, and even corrections to Navier-Stokes-Fourier 'closure' for the governing continuum differential equations. High priority follow-on studies are outlined based on these new results.

High resolution photoelectron imaging of UO(-) and UO2(-) and the low-lying electronic states and vibrational frequencies of UO and UO2.

PubMed

Czekner, Joseph; Lopez, Gary V; Wang, Lai-Sheng

2014-12-28

We report a study of the electronic and vibrational structures of the gaseous uranium monoxide and dioxide molecules using high-resolution photoelectron imaging. Vibrationally resolved photoelectron spectra are obtained for both UO(-) and UO2(-). The spectra for UO2(-) are consistent with, but much better resolved than a recent study using a magnetic-bottle photoelectron analyzer [W. L. Li et al., J. Chem. Phys. 140, 094306 (2014)]. The electron affinity (EA) of UO is reported for the first time as 1.1407(7) eV, whereas a much more accurate EA is obtained for UO2 as 1.1688(6) eV. The symmetric stretching modes for the neutral and anionic ground states, and two neutral excited states for UO2 are observed, as well as the bending mode for the neutral ground state. These vibrational frequencies are consistent with previous experimental and theoretical results. The stretching vibrational modes for the ground state and one excited state are observed for UO. The current results for UO and UO2 are compared with previous theoretical calculations including relativistic effects and spin-orbit coupling. The accurate experimental data reported here provide more stringent tests for future theoretical methods for actinide-containing species.

Electron Capture in Slow Collision of He^2++H : Revisited

NASA Astrophysics Data System (ADS)

Krstic, Ps

2003-05-01

Very early experimental data (Fite et al. al., Proc. R. Soc. A 268, 527 (1962)) for He^2++H, recent ORNL measurements for Ne^2+ + H and our theoretical estimates suggest that the electron capture cross sections for these strongly exoergic collision systems drop slower toward low collision energies than expected from previous theories. We perform a theoretical study to establish and understand the true nature of this controversy. The calculations are based on the Hidden Crossings MOCC method, augmented with rotational and turning point effects.

Theoretical studies of possible toroidal high-spin isomers in the light-mass region

DOE PAGES

Staszczak, A.; Wong, Cheuk-Yin

2016-05-11

We review our theoretical knowledge of possible toroidal high-spin isomers in the light mass region in 28≤A≤52 obtained previously in cranked Skyrme-Hartree-Fock calculations. We report additional toroidal high-spin isomers in 56Ni with I=114ℏ and 140ℏ, which follow the same (multi-particle) (multi-hole) systematics as other toroidal high-spin isomers. We examine the production of these exotic nuclei by fusion of various projectiles on 20Ne or 28Si as an active target in time-projection-chamber (TPC) experiments.

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…

Betwixt and Between: Academic Developers in the Margins

ERIC Educational Resources Information Center

Little, Deandra; Green, David A.

2012-01-01

Previously, the authors developed a theoretical framework drawing on an early sociological study of migration to explore how marginality--being between cultures--might account for academic developers' "hybrid" academic identities and help them navigate institutional power dynamics. Based on data from semi-structured interviews, this…

Theoretical and Experimental Studies of the Transonic Flow Field and Associated Boundary Conditions near a Longitudinally-Slotted Wind-Tunnel Wall. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Everhart, Joel Lee

1988-01-01

A theoretical examination of the slotted-wall flow field is conducted to determine the appropriate wall pressure drop (or boundary condition) equation. This analysis improves the understanding of the fluid physics of these types of flow fields and helps in evaluating the uncertainties and limitations existing in previous mathematical developments. It is shown that the resulting slotted-wall boundary condition contains contributions from the airfoil-induced streamline curvature and the non-linear, quadratic, slot crossflow in addition to an often neglected linear term which results from viscous shearing in the slot. Existing and newly acquired experimental data are examined in the light of this formulation and theoretical developments.

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.

Associations of Marital Conflict with Emotional and Physiological Stress: Evidence for Different Patterns of Dysregulation

ERIC Educational Resources Information Center

Lucas-Thompson, Rachel G.

2012-01-01

The goal of this study was to explore theoretically suggested but untested links between interparental conflict and stress physiology in late adolescence. A multi-method study was conducted involving families (n = 42) who previously participated in the University California, Irvine site of the NICHD Study of Early Child Care and Youth Development;…

The Impact of Semantic Impairment on Verbal Short-Term Memory in Stroke Aphasia and Semantic Dementia: A Comparative Study

ERIC Educational Resources Information Center

Jefferies, Elizabeth; Hoffman, Paul; Jones, Roy; Lambon Ralph, Matthew A.

2008-01-01

This study presents the first direct comparison of immediate serial recall in semantic dementia (SD) and transcortical sensory aphasia (TSA). Previous studies of the effect of semantic impairment on verbal short-term memory (STM) have led to important theoretical advances. However, different conclusions have been drawn from these two groups. This…

Weighing the Benefits of Studying a Foreign Language at a Younger Starting Age in a Minimal Input Situation

ERIC Educational Resources Information Center

Larson-Hall, Jenifer

2008-01-01

This study examined whether a younger starting age is advantageous in a situation of minimal exposure to an instructed foreign language ([less than or equal] 4 hours classroom contact per week). Previous theoretical and empirical studies indicated there should be no advantage for an earlier start. Japanese college students who started studying…

The Memory of What We Do Not Recall: Dissociations and Theoretical Debates in the Study of Implicit Memory

ERIC Educational Resources Information Center

Ramos, Tania; Marques, João; Garcia-Marques, Leonel

2017-01-01

Implicit memory reflects itself on situations in which previously acquired information is expressed, without awareness or intention. The study of implicit memory has had a profound impact on how researchers have investigated the human memory. In this paper, we review the main studies which have revealed dissociations between direct and indirect…

"There's No Physical Activity in Physical Education": The Challenges of Studying Senior PDHPE in NSW, Australia

ERIC Educational Resources Information Center

Ardzejewska, Kathie; Piscioneri, Antonio; Goode, Kim

2014-01-01

Using the theoretical frameworks of change and student voice this study examined whether the enactment of the senior Personal Development, Health and Physical Education (PDHPE) syllabus was received positively by students in light of their previous experience with the junior PDHPE syllabus. In addition, the study sought to examine whether there…

[Private health insurance in Brazil: approaches to public/private patterns in healthcare].

PubMed

Sestelo, José Antonio de Freitas; Souza, Luis Eugenio Portela Fernandes de; Bahia, Lígia

2013-05-01

This article draws on a previous review of 270 articles on private health plans published from 2000 to 2010 and selects 17 that specifically address the issue of the relationship between the public and private healthcare sectors. Content analysis considered the studies' concepts and terms, related theoretical elements, and predominant lines of argument. A reading of the argumentative strategies detected the existence of a critical view of the modus operandi in the public/private relationship based on Social Medicine and the theoretical tenets of the Brazilian Health Reform Movement. The study also identified contributions based on neoliberal business approaches that focus strictly on economic issues to discuss private health insurance. Understanding the public/private link in healthcare obviously requires the development of a solid empirical base, analyzed with adequate theoretical assumptions due to the inherent degree of complexity in the public/private healthcare interface.

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.

Language Development and Scaffolding in a Sino-American Telecollaborative Project

ERIC Educational Resources Information Center

Jin, Li

2013-01-01

Previous research (e.g., Belz & Thorne, 2006; Ware & O'Dowd, 2008) has discovered that language learning can be afforded through intercultural telecollaboration. From a sociocultural theoretical perspective, the current study investigated the language development outcomes and process in a 10-week Sino-American telecollaborative project…

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…

Motivation and Satisfaction in Internet-Supported Learning Environments: A Review

ERIC Educational Resources Information Center

Bekele, Teklu Abate

2010-01-01

Previous studies examined student motivation and satisfaction in Internet-Supported Learning Environments (ISLE) in higher education but none provided a comprehensive analysis of significant methodological and theoretical issues. To contribute toward filling this knowledge gap and then to better inform instructional systems development, practice,…

Latin American Youth in a Time of Change and Crisis.

ERIC Educational Resources Information Center

United Nations Economic and Social Council, New York, NY.

This 4-part study reaffirms the concepts of a previous study entitled "Situation and Prospects of Youth in Latin America" and approved in 1983, and on the basis of new knowledge explores more deeply national situations and their diversity. It offers new conceptual and theoretical contributions on the condition of youth in Latin America…

Transformational Processes and Learner Outcomes for Online Learning: An Activity Theory Case Study of Spanish Students

ERIC Educational Resources Information Center

Terantino, Joseph M.

2009-01-01

The purpose of this exploratory study was to examine the actions of online language learners from an activity theoretical perspective. It also attempted to explain how the students' learning outcomes evolved from their online learning experiences. This explanation placed an emphasis on the learners' previous experiences, defining their activity…

Encouraging a Career in Science: A Research Review of Secondary Schools' Effects on Students' STEM Orientation

ERIC Educational Resources Information Center

Reinhold, Sarah; Holzberger, Doris; Seidel, Tina

2018-01-01

Previous studies have pointed out that schools play a central role in students' orientation towards science, technology, engineering, and mathematics (STEM). However, studies use a variety of theoretical foundations in order to define variables and hypothesise relationships between schools and STEM orientation. In order to facilitate the…

Focus groups to explore healthcare professionals' experiences of care coordination: towards a theoretical framework for the study of care coordination.

PubMed

Van Houdt, Sabine; Sermeus, Walter; Vanhaecht, Kris; De Lepeleire, Jan

2014-12-24

Strategies to improve care coordination between primary and hospital care do not always have the desired results. This is partly due to incomplete understanding of the key concepts of care coordination. An in-depth analysis of existing theoretical frameworks for the study of care coordination identified 14 interrelated key concepts. In another study, these 14 key concepts were further explored in patients' experiences. Additionally, "patient characteristics" was identified as a new key concept in patients' experiences and the previously identified key concept "quality of relationship" between healthcare professionals was extended to "quality of relationship" with the patient. Together, these 15 interrelated key concepts resulted in a new theoretical framework. The present study aimed at improving our understanding of the 15 previously identified key concepts and to explore potentially previous unidentified key concepts and the links between these by exploring how healthcare professionals experience care coordination. A qualitative design was used. Six focus groups were conducted including primary healthcare professionals involved in the care of patients who had breast cancer surgery at three hospitals in Belgium. Data were analyzed using constant comparative analysis. All 15 previously identified key concepts of care coordination were further explored in healthcare professionals' experiences. Links between these 15 concepts were identified, including 9 newly identified links. The concept "external factors" was linked with all 6 concepts relating to (inter)organizational mechanisms; "task characteristics", "structure", "knowledge and information technology", "administrative operational processes", "cultural factors" and "need for coordination". Five of these concepts related to 3 concepts of relational coordination; "roles", "quality of relationship" and "exchange of information". The concept of "task characteristics" was only linked with "roles" and "exchange of information". The concept "patient characteristics" related with the concepts "need for coordination" and "patient outcome". Outcome was influenced by "roles", "quality of relationship" and "exchange of information". External factors and the (inter)organizational mechanism should enhance "roles" and "quality of relationship" between healthcare professionals and with the patient as well as "exchange of information", and setting and sharing of common "goals" to improve care coordination and quality of care.

Gauge Physics of Spin Hall Effect

PubMed Central

Tan, Seng Ghee; Jalil, Mansoor B. A.; Ho, Cong Son; Siu, Zhuobin; Murakami, Shuichi

2015-01-01

Spin Hall effect (SHE) has been discussed in the context of Kubo formulation, geometric physics, spin orbit force, and numerous semi-classical treatments. It can be confusing if the different pictures have partial or overlapping claims of contribution to the SHE. In this article, we present a gauge-theoretic, time-momentum elucidation, which provides a general SHE equation of motion, that unifies under one theoretical framework, all contributions of SHE conductivity due to the kinetic, the spin orbit force (Yang-Mills), and the geometric (Murakami-Fujita) effects. Our work puts right an ambiguity surrounding previously partial treatments involving the Kubo, semiclassical, Berry curvatures, or the spin orbit force. Our full treatment shows the Rashba 2DEG SHE conductivity to be instead of −, and Rashba heavy hole instead of −. This renewed treatment suggests a need to re-derive and re-calculate previously studied SHE conductivity. PMID:26689260

Disclosing victimisation to healthcare professionals in Sweden: a constructivist grounded theory study of experiences among men exposed to interpersonal violence

PubMed Central

Brüggemann, Adrianus Jelmer; Swahnberg, Katarina

2016-01-01

Objective To develop a theoretical model concerning male victims' processes of disclosing experiences of victimisation to healthcare professionals in Sweden. Design Qualitative interview study. Setting Informants were recruited from the general population and a primary healthcare centre in Sweden. Participants Informants were recruited by means of theoretical sampling among respondents in a previous quantitative study. Eligible for this study were men reporting sexual, physical and/or emotional violence victimisation by any perpetrator and reporting that they either had talked to a healthcare provider about their victimisation or had wanted to do so. Method Constructivist grounded theory. 12 interviews were performed and saturation was reached after 9. Results Several factors influencing the process of disclosing victimisation can be recognised from previous studies concerning female victims, including shame, fear of negative consequences of disclosing, specifics of the patient–provider relationship and time constraints within the healthcare system. However, this study extends previous knowledge by identifying strong negative effects of adherence to masculinity norms for victimised men and healthcare professionals on the process of disclosing. It is also emphasised that the process of disclosing cannot be separated from other, even seemingly unrelated, circumstances in the men's lives. Conclusions The process of disclosing victimisation to healthcare professionals was a complex process involving the men's experiences of victimisation, adherence to gender norms, their life circumstances and the dynamics of the actual healthcare encounter. PMID:27324711

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.

Recognition of Emotions in Autism: A Formal Meta-Analysis

ERIC Educational Resources Information Center

Uljarevic, Mirko; Hamilton, Antonia

2013-01-01

Determining the integrity of emotion recognition in autistic spectrum disorder is important to our theoretical understanding of autism and to teaching social skills. Previous studies have reported both positive and negative results. Here, we take a formal meta-analytic approach, bringing together data from 48 papers testing over 980 participants…

An Examination of Learning Profiles in Physical Education

ERIC Educational Resources Information Center

Shen, Bo; Chen, Ang

2007-01-01

Using the model of domain learning as a theoretical framework, the study was designed to examine the extent to which learners' initial learning profiles based on previously acquired knowledge, learning strategy application, and interest-based motivation were distinctive in learning softball. Participants were 177 sixth-graders from three middle…

Conflict and Education Demand in the Basque Region

ERIC Educational Resources Information Center

de Groot, Olaf J.; Goksel, Idil

2011-01-01

The relationship between conflict and education has been studied before. However, previous authors have always focused strongly on the supply-side effects, whereas this article examines the influence of conflict on the demand for education. It is theoretically shown that, under relatively general conditions, individuals living in a conflict area…

Multicultural Education Course Put into Practice

ERIC Educational Resources Information Center

Jun, Eun Jeong

2016-01-01

This study examines the ways in which two teachers who have previously taken a multicultural education course put into practice multicultural teaching in a first grade afterschool program. Banks' five dimensions of multicultural education are used as the theoretical framework for analyzing past research on multicultural education courses and for…

Updated Meta-Analysis of Learner Control within Educational Technology

ERIC Educational Resources Information Center

Karich, Abbey C.; Burns, Matthew K.; Maki, Kathrin E.

2014-01-01

Giving a student control over their learning has theoretical and intuitive appeal, but its effects are neither powerful nor consistent in the empirical literature base. This meta-analysis updated previous meta-analytic research by Niemiec, Sikorski, and Walberg by studying the overall effectiveness of providing learner control within educational…

Establishing an Explanatory Model for Mathematics Identity

ERIC Educational Resources Information Center

Cribbs, Jennifer D.; Hazari, Zahra; Sonnert, Gerhard; Sadler, Philip M.

2015-01-01

This article empirically tests a previously developed theoretical framework for mathematics identity based on students' beliefs. The study employs data from more than 9,000 college calculus students across the United States to build a robust structural equation model. While it is generally thought that students' beliefs about their own competence…

Breastfeeding Is Positively Associated with Child Intelligence Even Net of Parental IQ

ERIC Educational Resources Information Center

Kanazawa, Satoshi

2015-01-01

Some previous reviews conclude that breastfeeding is not significantly associated with increased intelligence in children once mother's IQ is statistically controlled. The conclusion may potentially have both theoretical and methodological problems. The National Child Development Study allows the examination of the effect of breastfeeding on…

Brain Systems for Assessing Facial Attractiveness

ERIC Educational Resources Information Center

Winston, Joel S.; O'Doherty, John; Kilner, James M.; Perrett, David I.; Dolan, Raymond J.

2007-01-01

Attractiveness is a facial attribute that shapes human affiliative behaviours. In a previous study we reported a linear response to facial attractiveness in orbitofrontal cortex (OFC), a region involved in reward processing. There are strong theoretical grounds for the hypothesis that coding stimulus reward value also involves the amygdala. The…

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.

Toward a transdisciplinary approach of ergonomic design for sustainability.

PubMed

Di Bucchianico, Giuseppe; Marano, Antonio; Rossi, Emilio

2012-01-01

Starting from the results of a theoretical and methodological study on Ergonomic design for sustainability previously developed from the authors, this paper shows the early results of a study that tries to apply them to actual operational and conceptual apparatuses of Ergonomics. In particular, the research aims to verify the possibility for Ergonomics to initiate an update of its current theoretical and procedural tools, towards new design solutions of "sustainable well-being", trying to look for new declinations of its several fields of application. The paper identifies new paradigms and definitions for one of the central themes of ergonomic design, as well as one among the most established and investigated: the usability of products and services.

Nonlocal approach to the analysis of the stress distribution in granular systems. I. Theoretical framework

NASA Astrophysics Data System (ADS)

Kenkre, V. M.; Scott, J. E.; Pease, E. A.; Hurd, A. J.

1998-05-01

A theoretical framework for the analysis of the stress distribution in granular materials is presented. It makes use of a transformation of the vertical spatial coordinate into a formal time variable and the subsequent study of a generally non-Markoffian, i.e., memory-possessing (nonlocal) propagation equation. Previous treatments are obtained as particular cases corresponding to, respectively, wavelike and diffusive limits of the general evolution. Calculations are presented for stress propagation in bounded and unbounded media. They can be used to obtain desired features such as a prescribed stress distribution within the compact.

Connecting Ellipses to Rectangles in Passive Scalar Transport

NASA Astrophysics Data System (ADS)

Aminian, Manuchehr; Bernardi, Francesca; Camassa, Roberto; Harris, Daniel; McLaughlin, Richard

2017-11-01

We study how passive scalar transport in Poiseuille flow is affected by the shape of the pipe cross section. Our previous results have established nontrivial dependence of the skewness of the tracer distribution upon the pipe shape. Previously, we have studied the families of rectangles and ellipses, with the behavior past diffusive timescales primarily depending on aspect ratio, and the type of geometry being secondary. However, at timescales well before the diffusion timescale, the family of ellipses is distinct compared to rectangles. We investigate this phenomenon by studying a collection of exotic cross sections connecting the ellipses and rectangles, using a combination of theoretical and computational tools.

High resolution photoelectron imaging of UO{sup −} and UO{sub 2}{sup −} and the low-lying electronic states and vibrational frequencies of UO and UO{sub 2}

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

Czekner, Joseph; Lopez, Gary V.; Wang, Lai-Sheng

2014-12-28

We report a study of the electronic and vibrational structures of the gaseous uranium monoxide and dioxide molecules using high-resolution photoelectron imaging. Vibrationally resolved photoelectron spectra are obtained for both UO{sup −} and UO{sub 2}{sup −}. The spectra for UO{sub 2}{sup −} are consistent with, but much better resolved than a recent study using a magnetic-bottle photoelectron analyzer [W. L. Li et al., J. Chem. Phys. 140, 094306 (2014)]. The electron affinity (EA) of UO is reported for the first time as 1.1407(7) eV, whereas a much more accurate EA is obtained for UO{sub 2} as 1.1688(6) eV. The symmetricmore » stretching modes for the neutral and anionic ground states, and two neutral excited states for UO{sub 2} are observed, as well as the bending mode for the neutral ground state. These vibrational frequencies are consistent with previous experimental and theoretical results. The stretching vibrational modes for the ground state and one excited state are observed for UO. The current results for UO and UO{sub 2} are compared with previous theoretical calculations including relativistic effects and spin-orbit coupling. The accurate experimental data reported here provide more stringent tests for future theoretical methods for actinide-containing species.« less

Investigating Addiction in the Changing Universe

PubMed Central

Dastoury, Mojgan; Aminaee, Tayebe; Ghaumi, Raheleh

2014-01-01

The process of globalization as the most significant characteristic of modern era is facilitated by several factors including Information Technology, the industry of production and distribution of information, the flow of goods, services, human beings, capitals, information and etc. This phenomenon, along with the complex and various identities and life styles created by the national and transnational determinants, has widely changed the nature of social phenomena, including addition. The present study aims to investigate the contribution of sociological studies in the field of addiction during 2001 to 2011 in Iran. This is done through performing content analysis on 41 peer reviewed papers. The selected samples were surveyed and compared according to theoretical frameworks and the social groups under study. The results showed that the analyzed papers extensively overlooked the process of contemporary social changes in Iran which could be caused either by the theoretical basis of the studies or the social groups under study. Following the theoretical views of previous decades, these papers largely considered addiction as a type of social deviation and misbehavior related to the men living in urban areas. PMID:25363096

Experimental (FT-IR, FT-Raman, 1H, 13C NMR) and theoretical study of alkali metal 2-aminobenzoates

NASA Astrophysics Data System (ADS)

Samsonowicz, M.; Świsłocka, R.; Regulska, E.; Lewandowski, W.

2008-09-01

The influence of lithium, sodium, potassium, rubidium and cesium on the electronic system of the 2-aminobenzoic acid was studied by the methods of molecular spectroscopy. The vibrational (FT-IR, FT-Raman) and NMR ( 1H and 13C) spectra for 2-aminobenzoic acid and its alkali metal salts were recorded. The assignment of vibrational spectra was done on the basis of literature data, theoretical calculations and our previous experience. Characteristic shifts of bands and changes in intensities of bands along the metal series were observed. The changes of chemical shifts of protons ( 1H NMR) and carbons ( 13C NMR) in the series of studied alkali metal 2-aminobenzoates were observed too. Optimized geometrical structures of studied compounds were calculated by B3LYP method using 6-311++G ∗∗ basis set. Geometric aromaticity indices, dipole moments and energies were also calculated. The theoretical wavenumbers and intensities of IR and Raman spectra were obtained. The calculated parameters were compared to experimental characteristic of studied compounds.

The Adoption of Blended E-Learning Technology in Vietnam Using a Revision of the Technology Acceptance Model

ERIC Educational Resources Information Center

Tran, Khanh Ngo Nhu

2016-01-01

This study examines factors that determine the attitudes of learners toward a blended e-learning system (BELS) using data collected by questionnaire from a sample of 396 students involved in a BELS environment in Vietnam. A theoretical model is derived from previous studies and is analyzed and developed using structural equation modeling…

The Gothic Folk Devils Strike Back! Theorizing Folk Devil Reaction in the Post-Columbine Era

ERIC Educational Resources Information Center

Griffiths, Richard

2010-01-01

Folk devils have to date been significantly overlooked in previous studies of moral panics. While several studies have called attention to this problematic (Thornton and McRobbie 1995, De Young 2004, Lumsden 2009), no specific theoretical framework has been proposed for reading this dimension of a moral panic. This paper argues that a moral panic…

The Effects of Cognitively Guided Instruction on Mathematics Achievement of Second Grade Children

ERIC Educational Resources Information Center

Hendricks, Cynthia

2013-01-01

In 2010, 6% of students in the United States were performing at an advanced level in mathematics. During the previous year, the United States produced over 987,000 low math achievers. The theoretical foundations of this research project study were found in Cognitively Guided Instruction (CGI). The research problem addressed in this study is the…

Report of the Plasma Physics and Environmental Perturbation Laboratory (PPEPL) working groups. Volume 3: Magnetospheric experiments working group

NASA Technical Reports Server (NTRS)

1974-01-01

A number of general studies that were proposed for the PPEPL-SHUTTLE program are considered in qualitative detail from both the theoretical and practical points of view. The selection of experimental programs was restricted to those which may be considered active as opposed to refinements of the passive observational programs done previously. It is concluded that, while these new studies were scientifically worthwhile and could be performed in principle, in most cases insufficient attention was paid to the practical details of the experiments. Several specific areas of study, stressing in particular the practical feasibility of the proposed experiments, are recommended. In addition, recommendations are made for further theoretical study, where appropriate. For Vol. 1, see N74-28169; for Vol. 2, see N74-28170.

Measuring the subjective: revisiting the psychometric properties of three rating scales that assess the acute effects of hallucinogens.

PubMed

Bouso, José Carlos; Pedrero-Pérez, Eduardo José; Gandy, Sam; Alcázar-Córcoles, Miguel Ángel

2016-09-01

In the present study we explored the psychometric properties of three widely used questionnaires to assess the subjective effects of hallucinogens: the Hallucinogen Rating Scale (HRS), the Mystical Experience Questionnaire (MEQ), and the Addiction Research Center Inventory (ARCI). These three questionnaires were administered to a sample of 158 subjects (100 men) after taking ayahuasca, a hallucinogen whose main active component is N,N-dimethyltryptamine (DMT). A confirmatory factorial study was conducted to check the adjustment of previous data obtained via theoretical proposals. When this was not possible, we used an exploratory factor analysis without restrictions, based on tetrachoric and polychoric matrices and correlations. Our results sparsely match the theoretical proposals of the authors, perhaps because previous studies have not always employed psychometric methods appropriate to the data obtained. However, these data should be considered preliminary, pending larger samples to confirm or reject the proposed structures obtained. It is crucial that instruments of sufficiently precise measurement are utilized to make sense of the information obtained in the study of the subjective effects of psychedelic drugs. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

An assessment of some theoretical models used for the calculation of the refractive index of InXGa1-xAs

NASA Astrophysics Data System (ADS)

Engelbrecht, J. A. A.

2018-04-01

Theoretical models used for the determination of the refractive index of InXGa1-XAs are reviewed and compared. Attention is drawn to some problems experienced with some of the models. Models also extended to the mid-infrared region of the electromagnetic spectrum. Theoretical results in the mid-infrared region are then compared to previously published experimental results.

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.

Women's Experiences of Depression: Their Lessons for Us.

ERIC Educational Resources Information Center

Schneider, Charlene Kamin; Stiles, William B.

In this study of depression four women who had previously received a diagnosis of depression were interviewed. From their interviews a chronological retelling of their stories was written, a thematic analysis, an examination of the themes of theoretical explanations of the gender difference in the incidence of depression, and an interpretation of…

Validating the Mexican American Intergenerational Caregiving Model

ERIC Educational Resources Information Center

Escandon, Socorro

2011-01-01

The purpose of this study was to substantiate and further develop a previously formulated conceptual model of Role Acceptance in Mexican American family caregivers by exploring the theoretical strengths of the model. The sample consisted of women older than 21 years of age who self-identified as Hispanic, were related through consanguinal or…

A Framework for Evaluating and Enhancing Alignment in Self-Regulated Learning Research

ERIC Educational Resources Information Center

Dent, Amy L.; Hoyle, Rick H.

2015-01-01

We discuss the articles of this special issue with reference to an important yet previously only implicit dimension of study quality: alignment across the theoretical and methodological decisions that collectively define an approach to self-regulated learning. Integrating and extending work by leaders in the field, we propose a framework for…

Power, Language, and Professional Choices: A Hermeneutic Approach To Teaching Technical Communication.

ERIC Educational Resources Information Center

Tillery, Denise

2001-01-01

Argues that the philosophical hermeneutics of Hans-Georg Gadamer provides a useful theoretical framework from which to discuss ethical issues in the technical communication classroom. Analyzes a previously published case study to demonstrate how hermeneutics can shed light on the ways that writers can be unconscious of ethical problems in their…

Method for Analyzing Students' Utilization of Prior Physics Learning in New Contexts

ERIC Educational Resources Information Center

McBride, Dyan L.; Zollman, Dean; Rebello, N. Sanjay

2010-01-01

In prior research, the classification of concepts into three types--descriptive, hypothetical and theoretical--has allowed for the association of students' use of different concept types with their level of understanding. Previous studies have also examined the ways in which students link concepts to determine whether students have a meaningful…

Measuring Disorientation Based on the Needleman-Wunsch Algorithm

ERIC Educational Resources Information Center

Güyer, Tolga; Atasoy, Bilal; Somyürek, Sibel

2015-01-01

This study offers a new method to measure navigation disorientation in web based systems which is powerful learning medium for distance and open education. The Needleman-Wunsch algorithm is used to measure disorientation in a more precise manner. The process combines theoretical and applied knowledge from two previously distinct research areas,…

A naturalistic inquiry into the social world of whitewater kayakers

Treesearch

Jason W. Whiting; Katharine A. Pawelko

2012-01-01

This exploratory research focused on kayakers at whitewater kayaking parks; the social and recreational characteristics of this specific user group had not previously been studied from a managerial and theoretical standpoint. Twelve kayakers were interviewed at whitewater kayaking parks in Colorado and Utah. The interviewers utilized naturalistic methodology with a...

Teacher Self-Efficacy for Teaching Students to Lead IEP Meetings

ERIC Educational Resources Information Center

Scott, LaRon

2010-01-01

The level of self-efficacy exhibited by an individual has been closely linked to how that individual will perform a given task. Previous studies on teacher self-efficacy focused on general activities and were less specific regarding special education teachers' perceived ability to perform a given task. Based on the theoretical framework of…

Working Memory Difficulties and Eligibility for K-12 Special Education

ERIC Educational Resources Information Center

Wilson, Corrie L.

2017-01-01

Working memory (WM) has long been associated with deficiencies in reading. Approximately 35% of students in the United States who receive special education services do so under the category of specific learning disability (SLD). The study's theoretical underpinning was Baddeley's model of WM; previous research revealed a significant literature gap…

School Disconnectedness: Identifying Adolescents at Risk in Ontario, Canada

ERIC Educational Resources Information Center

Faulkner, Guy E. J.; Adlaf, Edward M.; Irving, Hyacinth M.; Allison, Kenneth R.; Dwyer, John

2009-01-01

Background: There is strong theoretical and empirical support for school connectedness as an important element of healthy youth development. The primary objective of this study was to replicate previous research identifying factors differentiating youth who do not feel connected to their schools in a sample of adolescents in Ontario, Canada. A…

Impact of a Freshman Academy on Student Performance at a Comprehensive Public High School

ERIC Educational Resources Information Center

Hernandez, Jose Angel, Jr.

2012-01-01

Previous high school research has highlighted the importance of students' freshman year. Limited research has supported the implementation of a smaller learning community, also known as a freshman academy. The theoretical framework of the study was based on stage environment fit, adolescence development and smaller learning community theories. The…

Disclosing victimisation to healthcare professionals in Sweden: a constructivist grounded theory study of experiences among men exposed to interpersonal violence.

PubMed

Simmons, Johanna; Brüggemann, Adrianus Jelmer; Swahnberg, Katarina

2016-06-20

To develop a theoretical model concerning male victims' processes of disclosing experiences of victimisation to healthcare professionals in Sweden. Qualitative interview study. Informants were recruited from the general population and a primary healthcare centre in Sweden. Informants were recruited by means of theoretical sampling among respondents in a previous quantitative study. Eligible for this study were men reporting sexual, physical and/or emotional violence victimisation by any perpetrator and reporting that they either had talked to a healthcare provider about their victimisation or had wanted to do so. Constructivist grounded theory. 12 interviews were performed and saturation was reached after 9. Several factors influencing the process of disclosing victimisation can be recognised from previous studies concerning female victims, including shame, fear of negative consequences of disclosing, specifics of the patient-provider relationship and time constraints within the healthcare system. However, this study extends previous knowledge by identifying strong negative effects of adherence to masculinity norms for victimised men and healthcare professionals on the process of disclosing. It is also emphasised that the process of disclosing cannot be separated from other, even seemingly unrelated, circumstances in the men's lives. The process of disclosing victimisation to healthcare professionals was a complex process involving the men's experiences of victimisation, adherence to gender norms, their life circumstances and the dynamics of the actual healthcare encounter. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Theoretical Studies of High-power Ultraviolet and Infrared Materials

DTIC Science & Technology

1974-12-06

parametrically. There are analogies between the instability in the Raman process and previously studied instabilities in ferromagnetic resonance...conventional absorption spec- troscopy. A literature survey lias been made of those ions that have been studied in KC1 and Kbr crystals . Those that most...produce ß{v 943 cm ) ■ 10 cm . nimmiic ionic impurities that have been studied in KC1 and Kl5r crystals , on the other hand, have

Tsallis’ non-extensive free energy as a subjective value of an uncertain reward

NASA Astrophysics Data System (ADS)

Takahashi, Taiki

2009-03-01

Recent studies in neuroeconomics and econophysics revealed the importance of reward expectation in decision under uncertainty. Behavioral neuroeconomic studies have proposed that the unpredictability and the probability of an uncertain reward are distinctly encoded as entropy and a distorted probability weight, respectively, in the separate neural systems. However, previous behavioral economic and decision-theoretic models could not quantify reward-seeking and uncertainty aversion in a theoretically consistent manner. In this paper, we have: (i) proposed that generalized Helmholtz free energy in Tsallis’ non-extensive thermostatistics can be utilized to quantify a perceived value of an uncertain reward, and (ii) empirically examined the explanatory powers of the models. Future study directions in neuroeconomics and econophysics by utilizing the Tsallis’ free energy model are discussed.

Developing Idiomatic Competence in the ESOL Classroom: A Pragmatic Account

ERIC Educational Resources Information Center

Liontas, John I.

2015-01-01

Building on previous theoretical constructs and empirical findings on idioms, this article advances an integrated theoretical and methodological framework for developing idiomatic competence in English for speakers of other languages (ESOL). Beginning with a definition of the term "idiomatic competence," the author then presents a…

A Descriptive, Survey Research Study of the Student Characteristics Influencing the Four Theoretical Sources of Mathematical Self-Efficacy of College Freshmen

ERIC Educational Resources Information Center

Locklear, Tonja Motley

2012-01-01

The Sources of Middle School Mathematics Self-Efficacy Scale (Usher & Pajares, 2009) was adapted for use in this study investigating the impact that gender, race, sexual orientation, hometown location (rural, suburban, or urban), high school GPA, college GPA and letter grade of a mathematics course in the previous semester had on the four…

Representational Flexibility and Problem-Solving Ability in Fraction and Decimal Number Addition: A Structural Model

ERIC Educational Resources Information Center

Deliyianni, Eleni; Gagatsis, Athanasios; Elia, Iliada; Panaoura, Areti

2016-01-01

The aim of this study was to propose and validate a structural model in fraction and decimal number addition, which is founded primarily on a synthesis of major theoretical approaches in the field of representations in Mathematics and also on previous research on the learning of fractions and decimals. The study was conducted among 1,701 primary…

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…

Study of mass and momentum transfer in diesel sprays based on X-ray mass distribution measurements and on a theoretical derivation

NASA Astrophysics Data System (ADS)

Desantes, J. M.; Salvador, F. J.; López, J. J.; de La Morena, J.

2011-02-01

In this paper, a research aimed at quantifying mass and momentum transfer in the near-nozzle field of diesel sprays injected into stagnant ambient air is reported. The study combines X-ray measurements for two different nozzles and axial positions, which provide mass distributions in the spray, with a theoretical model based on momentum flux conservation, which was previously validated. This investigation has allowed the validation of Gaussian profiles for local fuel concentration and velocity near the nozzle exit, as well as the determination of Schmidt number at realistic diesel spray conditions. This information could be very useful for those who are interested in spray modeling, especially at high-pressure injection conditions.

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.

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.

'Thunder' - Shock waves in pre-biological organic synthesis.

NASA Technical Reports Server (NTRS)

Bar-Nun, A.; Tauber, M. E.

1972-01-01

Theoretical study of the gasdynamics and chemistry of lightning-produced shock waves in a postulated primordial reducing atmosphere. It is shown that the conditions are similar to those encountered in a previously performed shock-tube experiment which resulted in 36% of the ammonia in the original mixture being converted into amino acids. The calculations give the (very large) energy rate of about 0.4 cal/sq cm/yr available for amino acid production, supporting previous hypotheses that 'thunder' could have been responsible for efficient large-scale production of organic molecules serving as precursors of life.

Using Ryff's scales of psychological well-being in adolescents in mainland China.

PubMed

Gao, Jie; McLellan, Ros

2018-04-20

Psychological well-being in adolescence has always been a focus of public attention and academic research. Ryff's six-factor model of psychological well-being potentially provides a comprehensive theoretical framework for investigating positive functioning of adolescents. However, previous studies reported inconsistent findings of the reliability and validity of Ryff's Scales of Psychological Well-being (SPWB). The present study aimed to explore whether Ryff's six-factor model of psychological well-being could be applied in Chinese adolescents. The Scales of Psychological Well-being (SPWB) were adapted for assessing the psychological well-being of adolescents in mainland China. 772 adolescents (365 boys to 401 girls, 6 missing gender data, mean age = 13.65) completed the adapted 33-item SPWB. The data was used to examine the reliability and construct validity of the adapted SPWB. Results showed that five of the six sub-scales had acceptable internal consistency of items, except the sub-scale of autonomy. The factorial structure of the SPWB was not as clear-cut as the theoretical framework suggested. Among the models under examination, the six-factor model had better model fit than the hierarchical model and the one-factor model. However, the goodness-of-fit of the six-factor model was hardly acceptable. High factor correlations were identified between the sub-scales of environmental mastery, purpose in life and personal growth. Findings of the present study echoed a number of previous studies which reported inadequate reliability and validity of Ryff's scales. Given the evidence, it was suggested that future adolescent studies should seek to develop more age-specific and context-appropriate items for a better operationalisation of Ryff's theoretical model of psychological well-being.

Theoretical study of the A prime 5Sigma(+)g and C double prime 5Pi u states of N2 - Implications for the N2 afterglow

NASA Technical Reports Server (NTRS)

Partridge, Harry; Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Schwenke, David W.

1988-01-01

Theoretical spectroscopic constants are reported for the A prime 5Sigma(+)g and C double prime 5Pi u states of N2 based on CASSCF/MRCI calculations using large ANO Gaussian basis sets. The calculated A prime Sigma(+)g potential differs qualitatively from previous calculations in that the inner well is significantly deeper (De = 3450/cm). This deeper well provides considerable support for the suggestion of Berkowitz et al. (1956) that A prime 5Sigma(+)g is the primary precursor state involved in the yellow Lewis-Rayleigh afterglow of N2.

Theoretical study on the anion photoelectron spectra of Ln(COT)2- including the spin-orbit effects

NASA Astrophysics Data System (ADS)

Nakajo, Erika; Yabushita, Satoshi

2017-06-01

The multiplet level splittings for both anion and neutral sandwich complexes Ln(COT)2 (Ln = Ce-Yb, COT = 1,3,5,7-cyclooctatetraene) were calculated with spin-orbit interactions to analyze their anion photoelectron spectra. The theoretically simulated spectra obtained with these energies and the pole strengths are generally consistent with the experimental spectra for the X peak. The magnitudes of the energy splittings, relative peak intensities, and their Ln dependence are reproduced. In comparison to our previous calculations, the inclusion of spin-orbit interactions with the SO-MCQDPT2 method makes the simulated spectra more consistent with the results of the experiment.

a Theoretical Analysis of Physical Properties of Aqueous Trehalose with Borax

NASA Astrophysics Data System (ADS)

Sahara; Aniya, Masaru

2013-07-01

The temperature and composition dependence of the viscosity of aqueous trehalose and aqueous trehalose-borax mixtures has been investigated by means of the Bond Strength-Coordination Number Fluctuation (BSCNF) model. The result indicates that the variation in the fragility of the system is very small in the composition range analyzed. The values of the materials parameters determined are consistent with those of the trehalose-water-lithium iodide system which were analyzed in a previous study. Based on the analysis of the obtained parameters of the BSCNF model, the physical interpretation of the WLF parameters reported in a previous study is reconfirmed.

Full kinetics investigation of the formation reaction of phosphonate esters in the gas-phase: a theoretical study.

PubMed

Kazemian, Mohammad Amin; Habibi-Khorassani, Sayyed Mostafa; Maghsoodlu, Malek Taher; Ebrahimi, Ali

2014-04-01

In the present work, the proposed multiple-mechanisms have been investigated theoretically for the reaction between triphenyl phosphite and dimethyl acetylenedicarboxylate in the presence of N-H acid such as aniline for generation of phosphonate esters using ab initio molecular orbital theory in gas phase. The profile of the potential energy surface was constructed at the HF/6-311G(d,p) level of theory. The kinetics of the gas phase reaction was studied by evaluating the reaction path of various mechanisms. Between 12 speculative proposed mechanisms {step₁, step₂ (with four possibilities), step₃ (with three possibilities), and step₄} only the third speculative mechanism was recognized as a desirable mechanism. Theoretical kinetics data involving k and E(a), activation (ΔG(‡), ΔS(‡) and ΔH(‡)), and thermodynamic parameters (ΔG°, ΔS° and ΔH°) were calculated for each step of the various mechanisms. Step₁ of the desirable mechanism was identified as the rate determining step. Comparison of the theoretical desirable mechanism with the rate law that has been previously obtained by UV spectrophotometry experiments indicated that the results are in good agreement.

CO activation pathways and the mechanism of Fischer–Tropsch synthesis

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

Ojeda, Manuel; Nabar, Rahul P.; Nilekar, Anand U.

2010-06-15

Unresolved mechanistic details of monomer formation in Fischer–Tropsch synthesis (FTS) and of its oxygen rejection routes are addressed here by combining kinetic and theoretical analyses of elementary steps on representative Fe and Co surfaces saturated with chemisorbed CO. These studies provide experimental and theoretical evidence for hydrogen-assisted CO activation as the predominant kinetically-relevant step on Fe and Co catalysts at conditions typical of FTS practice. H2 and CO kinetic effects on FTS rates and oxygen rejection selectivity (as H2O or CO2) and density functional theory estimates of activation barriers and binding energies are consistent with H-assisted CO dissociation, but notmore » with the previously accepted kinetic relevance of direct CO dissociation and chemisorbed carbon hydrogenation elementary steps. H-assisted CO dissociation removes O-atoms as H2O, while direct dissociation forms chemisorbed oxygen atoms that desorb as CO2. Direct CO dissociation routes are minor contributors to monomer formation on Fe and may become favored at high temperatures on alkali-promoted catalysts, but not on Co catalysts, which remove oxygen predominantly as H2O because of the preponderance of Hassisted CO dissociation routes. The merging of experiment and theory led to the clarification of persistent mechanistic issues previously unresolved by separate experimental and theoretical inquiries.« less

Dramaturgical and Music-Theoretical Approaches to Improvisation Pedagogy

ERIC Educational Resources Information Center

Huovinen, Erkki; Tenkanen, Atte; Kuusinen, Vesa-Pekka

2011-01-01

The aim of this article is to assess the relative merits of two approaches to teaching musical improvisation: a music-theoretical approach, focusing on chords and scales, and a "dramaturgical" one, emphasizing questions of balance, variation and tension. Adult students of music pedagogy, with limited previous experience in improvisation,…

Dynamics in Higher Education Politics: A Theoretical Model

ERIC Educational Resources Information Center

Kauko, Jaakko

2013-01-01

This article presents a model for analysing dynamics in higher education politics (DHEP). Theoretically the model draws on the conceptual history of political contingency, agenda-setting theories and previous research on higher education dynamics. According to the model, socio-historical complexity can best be analysed along two dimensions: the…

Threshold Capabilities: Threshold Concepts and Knowledge Capability Linked through Variation Theory

ERIC Educational Resources Information Center

Baillie, Caroline; Bowden, John A.; Meyer, Jan H. F.

2013-01-01

The Threshold Capability Integrated Theoretical Framework (TCITF) is presented as a framework for the design of university curricula, aimed at developing graduates' capability to deal with previously unseen situations in their professional, social, and personal lives. The TCITF is a new theoretical framework derived from, and heavily dependent…

Exploring Environmental Factors in Nursing Workplaces That Promote Psychological Resilience: Constructing a Unified Theoretical Model.

PubMed

Cusack, Lynette; Smith, Morgan; Hegney, Desley; Rees, Clare S; Breen, Lauren J; Witt, Regina R; Rogers, Cath; Williams, Allison; Cross, Wendy; Cheung, Kin

2016-01-01

Building nurses' resilience to complex and stressful practice environments is necessary to keep skilled nurses in the workplace and ensuring safe patient care. A unified theoretical framework titled Health Services Workplace Environmental Resilience Model (HSWERM), is presented to explain the environmental factors in the workplace that promote nurses' resilience. The framework builds on a previously-published theoretical model of individual resilience, which identified the key constructs of psychological resilience as self-efficacy, coping and mindfulness, but did not examine environmental factors in the workplace that promote nurses' resilience. This unified theoretical framework was developed using a literary synthesis drawing on data from international studies and literature reviews on the nursing workforce in hospitals. The most frequent workplace environmental factors were identified, extracted and clustered in alignment with key constructs for psychological resilience. Six major organizational concepts emerged that related to a positive resilience-building workplace and formed the foundation of the theoretical model. Three concepts related to nursing staff support (professional, practice, personal) and three related to nursing staff development (professional, practice, personal) within the workplace environment. The unified theoretical model incorporates these concepts within the workplace context, linking to the nurse, and then impacting on personal resilience and workplace outcomes, and its use has the potential to increase staff retention and quality of patient care.

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.

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

Bemporad, G.A.; Rubin, H.

The development of internal waves and instabilities of the Kelvin Helmholtz-type may prevent the density gradient maintenance which allows the proper functioning of the Advanced Solar Pond (ASP). The properties and characteristics of internal waves, of constant and growing amplitude, are quantitatively described in this paper. The numerical simulations made in this study are in good agreement with previous theoretical and experimental results.

Preliminary Empirical Model of Crucial Determinants of Best Practice for Peer Tutoring on Academic Achievement

ERIC Educational Resources Information Center

Leung, Kim Chau

2015-01-01

Previous meta-analyses of the effects of peer tutoring on academic achievement have been plagued with theoretical and methodological flaws. Specifically, these studies have not adopted both fixed and mixed effects models for analyzing the effect size; they have not evaluated the moderating effect of some commonly used parameters, such as comparing…

Using the Contextual Model of Learning to Understand Visitor Learning from a Science Center Exhibition

ERIC Educational Resources Information Center

Falk, John; Storksdieck, Martin

2005-01-01

Falk and Dierking's Contextual Model of Learning was used as a theoretical construct for investigating learning within a free-choice setting. A review of previous research identified key variables fundamental to free-choice science learning. The study sought to answer two questions: (1) How do specific independent variables individually contribute…

The Strength of the Relation between Performance-Approach and Performance-Avoidance Goal Orientations: Theoretical, Methodological, and Instructional Implications

ERIC Educational Resources Information Center

Linnenbrink-Garcia, Lisa; Middleton, Michael J.; Ciani, Keith D.; Easter, Matthew A.; O'Keefe, Paul A.; Zusho, Akane

2012-01-01

In current research on achievement goal theory, most researchers differentiate between performance-approach and performance-avoidance goal orientations. Evidence from prior research and from several previously published data sets is used to highlight that the correlation is often rather large, with a number of studies reporting correlations above…

The Home/School Connection and Its Role in Narrowing the Academic Achievement Gap: An Ecological Systems Theoretical Perspective

ERIC Educational Resources Information Center

Blandin, Allyson

2017-01-01

This literature review seeks to evaluate previous studies on the topic of the home/school connection and its role in enhancing students' academic achievement and narrowing the academic achievement gap. The ecological systems theory framework will facilitate the discussion of the importance of the home/school connection phenomenon. Perspectives…

School Management and Moral Literacy: A Conceptual Analysis of the Model

ERIC Educational Resources Information Center

Sagnak, Mesut

2012-01-01

The aim of this study is to analyze the moral literacy model developed by Tuana; discuss the superiorities and limitations, and constitute the theoretical conditions of a new model by utilizing previous researches and theories asserted about this subject. The model has stated that moral literacy is composed of three main components as ethics…

Speaker-Versus Listener-Oriented Disfluency: A Re-Examination of Arguments and Assumptions from Autism Spectrum Disorder

ERIC Educational Resources Information Center

Engelhardt, Paul E.; Alfridijanta, Oliver; McMullon, Mhairi E. G.; Corley, Martin

2017-01-01

We re-evaluate conclusions about disfluency production in high-functioning forms of autism spectrum disorder (HFA). Previous studies examined individuals with HFA to address a theoretical question regarding speaker- and listener-oriented disfluencies. Individuals with HFA tend to be self-centric and have poor pragmatic language skills, and should…

Movement Variability in the Golf Swing: Theoretical, Methodological, and Practical Issues

ERIC Educational Resources Information Center

Glazier, Paul

2011-01-01

Movement variability in the golf swing has recently been identified as a priority for future research in golf science. Although this ubiquitous aspect of golf performance has featured in previous empirical investigations of the golf swing, it has tended to be subordinate and studied as an adjunct to other more conventional research questions.…

Using the Extended Parallel Process Model to Examine Teachers' Likelihood of Intervening in Bullying

ERIC Educational Resources Information Center

Duong, Jeffrey; Bradshaw, Catherine P.

2013-01-01

Background: Teachers play a critical role in protecting students from harm in schools, but little is known about their attitudes toward addressing problems like bullying. Previous studies have rarely used theoretical frameworks, making it difficult to advance this area of research. Using the Extended Parallel Process Model (EPPM), we examined the…

Understanding the Relationship of Multicultural Case Conceptualization, Multicultural Counseling Self-Efficacy and Ethnocultural Empathy in Psychology Trainees

ERIC Educational Resources Information Center

Singh, Sharon

2010-01-01

The multicultural competency instruments have been criticized for their ability to accurately assess this construct. Specifically, the lack of adherence to an operationalized definition is at the heart of the problem. In order to improve the theoretical foundation of multicultural competency, this study extended previous research by Ladany and his…

Associations of neuroticism and introversion with academic achievement.

PubMed

Mwamwenda, T S

1995-08-01

The relationship of academic achievement or grades with Eysenck Personality Inventory scores on Neuroticism and Introversion was examined. Contrary to theoretical expectations and previous studies, no significant differences among means were observed for 118 first-year South African university students (78 women and 40 men) whose mean ages were 29 yr. (women) and 28.8 yr. (men).

Systematic review of the risk of uterine rupture with the use of amnioinfusion after previous cesarean delivery.

PubMed

Hicks, Paul

2005-04-01

Amnioinfusion is commonly used for the intrapartum treatment of women with pregnancy complicated by thick meconium or oligohydramnios with deep variable fetal heart rate decelerations. Its benefit in women with previous cesarean deliveries is less known. Theoretically, rapid increases in intrauterine volume would lead to a higher risk of uterine rupture. Searches of the Cochrane Library from inception to the third quarter of 2001 and MEDLINE, 1966 to November 2001, were performed by using keywords "cesarean" and "amnioinfusion." Search terms were expanded to maximize results. All languages were included. Review articles, editorials, and data previously published in other sites were not analyzed. Four studies were retrieved having unduplicated data describing amnioinfusion in women who were attempting a trial of labor after previous cesarean section. As the studies were of disparate types, meta-analysis was not possible. The use of amnioinfusion in women with previous cesarean delivery who are undergoing a trial of labor may be a safe procedure, but confirmatory large, controlled prospective studies are needed before definitive recommendations can be made.

Hospital Nurses' Work Environment Characteristics and Patient Safety Outcomes: A Literature Review.

PubMed

Lee, Seung Eun; Scott, Linda D

2018-01-01

This integrative literature review assesses the relationship between hospital nurses' work environment characteristics and patient safety outcomes and recommends directions for future research based on examination of the literature. Using an electronic search of five databases, 18 studies published in English between 1999 and 2016 were identified for review. All but one study used a cross-sectional design, and only four used a conceptual/theoretical framework to guide the research. No definition of work environment was provided in most studies. Differing variables and instruments were used to measure patient outcomes, and findings regarding the effects of work environment on patient outcomes were inconsistent. To clarify the relationship between nurses' work environment characteristics and patient safety outcomes, researchers should consider using a longitudinal study design, using a theoretical foundation, and providing clear operational definitions of concepts. Moreover, given the inconsistent findings of previous studies, they should choose their measurement methodologies with care.

Theoretical and experimental study of fenofibrate and simvastatin

NASA Astrophysics Data System (ADS)

Nicolás Vázquez, Inés; Rodríguez-Núñez, Jesús Rubén; Peña-Caballero, Vicente; Ruvalcaba, Rene Miranda; Aceves-Hernandez, Juan Manuel

2017-12-01

Fenofibrate, an oral fibrate lipid lowering agent, and simvastatin, which reduces plasma levels of low-density lipoprotein cholesterol, are active pharmaceutical ingredients (APIs), currently in the market. We characterized these APIs by thermal analysis and conducted X-ray powder diffraction techniques. Studies should be carried out in the formulation stage before the final composition of a polypill may be established. Thus, it was found in thermochemical studies that both compounds present no chemical interactions in an equimolar mixture of solid samples at room temperature. Theoretical studies were employed to determine possible interactions between fenofibrate and simvastatin. A very weak intramolecular hydrogen bond is formed between the hydroxyl group (O5H5) of the simvastatin with chlorine and carbonyl group (C11O4, C1O2) of the fenofibrate molecule. These weak energy hydrogen bonds have no effect on the chemical stability of the compounds studied. The results were obtained using Density Functional Theory methods; particularly the BPE1BPE and B3LYP functional and 6-31++G** basis set. The values of energy show good approximation when are compared with similar calculations previously reported. Infrared spectra of monomers and dimers were obtained via theoretical calculations.

Unraveling the Impact of the Big Five Personality Traits on Academic Performance: The Moderating and Mediating Effects of Self-Efficacy and Academic Motivation

ERIC Educational Resources Information Center

De Feyter, Tim; Caers, Ralf; Vigna, Claudia; Berings, Dries

2012-01-01

The main purpose of this study is to unravel the impact of the Big Five personality factors on academic performance. We propose a theoretical model with conditional indirect effects of the Big Five personality factors on academic performance through their impact upon academic motivation. To clarify the mixed results of previous studies concerning…

Pharmacist and Technician Perceptions of Tech-Check-Tech in Community Pharmacy Practice Settings.

PubMed

Frost, Timothy P; Adams, Alex J

2018-04-01

Tech-check-tech (TCT) is a practice model in which pharmacy technicians with advanced training can perform final verification of prescriptions that have been previously reviewed for appropriateness by a pharmacist. Few states have adopted TCT in part because of the common view that this model is controversial among members of the profession. This article aims to summarize the existing research on pharmacist and technician perceptions of community pharmacy-based TCT. A literature review was conducted using MEDLINE (January 1990 to August 2016) and Google Scholar (January 1990 to August 2016) using the terms "tech* and check," "tech-check-tech," "checking technician," and "accuracy checking tech*." Of the 7 studies identified we found general agreement among both pharmacists and technicians that TCT in community pharmacy settings can be safely performed. This agreement persisted in studies of theoretical TCT models and in studies assessing participants in actual community-based TCT models. Pharmacists who had previously worked with a checking technician were generally more favorable toward TCT. Both pharmacists and technicians in community pharmacy settings generally perceived TCT to be safe, in both theoretical surveys and in surveys following actual TCT demonstration projects. These perceptions of safety align well with the actual outcomes achieved from community pharmacy TCT studies.

Optical Basicity and Nepheline Crystallization in High Alumina Glasses

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

Rodriguez, Carmen P.; McCloy, John S.; Schweiger, M. J.

2011-02-25

The purpose of this study was to find compositions that increase waste loading of high-alumina wastes beyond what is currently acceptable while avoiding crystallization of nepheline (NaAlSiO4) on slow cooling. Nepheline crystallization has been shown to have a large impact on the chemical durability of high-level waste glasses. It was hypothesized that there would be some composition regions where high-alumina would not result in nepheline crystal production, compositions not currently allowed by the nepheline discriminator. Optical basicity (OB) and the nepheline discriminator (ND) are two ways of describing a given complex glass composition. This report presents the theoretical and experimentalmore » basis for these models. They are being studied together in a quadrant system as metrics to explore nepheline crystallization and chemical durability as a function of waste glass composition. These metrics were calculated for glasses with existing data and also for theoretical glasses to explore nepheline formation in Quadrant IV (passes OB metric but fails ND metric), where glasses are presumed to have good chemical durability. Several of these compositions were chosen, and glasses were made to fill poorly represented regions in Quadrant IV. To evaluate nepheline formation and chemical durability of these glasses, quantitative X-ray diffraction (XRD) analysis and the Product Consistency Test were conducted. A large amount of quantitative XRD data is collected here, both from new glasses and from glasses of previous studies that had not previously performed quantitative XRD on the phase assemblage. Appendix A critically discusses a large dataset to be considered for future quantitative studies on nepheline formation in glass. Appendix B provides a theoretical justification for choice of the oxide coefficients used to compute the OB criterion for nepheline formation.« less

Thinking meta-theoretically about the role of internalization in the development of body dissatisfaction and body change behaviors.

PubMed

Karazsia, Bryan T; van Dulmen, Manfred H M; Wong, Kendal; Crowther, Janis H

2013-09-01

Internalization of societal standards of physical attractiveness (i.e., internalization of the thin ideal for women and internalization of the mesomorphic ideal for men) is a widely studied and robust risk factor for body dissatisfaction and maladaptive body change behaviors. Substantial empirical research supports internalization as both a mediator and a moderator of the relation between societal influences and body dissatisfaction. In this paper, a primer on mediation and moderation is followed by a review of literature and discussion of the extent to which internalization can theoretically fulfill the roles of both mediation and moderation. The literature review revealed a stark contrast in research design (experimental versus non-experimental design) when alternate conceptualizations of internalization are adopted. A meta-theoretical, moderated mediation model is presented. This model integrates previous research and can inform future empirical and clinical endeavors. Copyright © 2013 Elsevier Ltd. All rights reserved.

Sonority as variation: A study about the conceptualization of physical notions in university students

NASA Astrophysics Data System (ADS)

Escudero, Consuelo; Jaime, Eduardo A.

2007-11-01

Results of researches over conceptions and specific competencies of university students as regards acoustic waves and their conceptualization are put forward in this paper. The starting point is a theoretical scheme previously done [4] [5] that allows the linking and interconnection of theorical contributions related with the cognitive psychology, the developmental psychology, problems solving, the linguistic and symbolical representation of concepts and their relation with the didactics. The corpus is made up mainly by answers to written works which have allowed analyzing implicit conceptions of students, especially those ignored or misunderstood by them. This is a qualitative research, in which data are grouped in categories that are not provided before the theoretical framework. Conclusions show the potentiality of the theoretical framework to interpret processes of meaning building of the level of sonority as variation, and for the design and improvement of instructional proposals tending to achieve a critical meaningful learning.

Measurement of Heat Transfer in Unbonded Silica Fibrous Insulation and Comparison with Theory

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Knutson, Jeffrey R.; Cunnington, George R.

2007-01-01

Effective thermal conductivity of a high porosity unbonded silica fibrous insulation specimen was measured over a pressure range of 0.001 to 750 torr (0.1 to 101.3 x 10(exp 3) Pa), and with large temperature gradients maintained across the sample thickness: hot side temperature range of 360 to 1360 K, with the cold side at room temperature. The measurements were compared with the theoretical solution of combined radiation/conduction heat transfer. The previously developed radiation heat transfer model used in this study is based on a modified diffusion approximation, and uses deterministic parameters that define the composition and morphology of the medium: distributions of fiber size and orientation, fiber volume fractions, and the spectral complex refractive index of the fibers. The close agreement between experimental and theoretical data further verifies the theoretical model over a wide range of temperatures and pressures.

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).

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.

Collision dynamics of H+ + N2 at low energies based on time-dependent density-functional theory

NASA Astrophysics Data System (ADS)

Yu, W.; Zhang, Y.; Zhang, F. S.; Hutton, R.; Zou, Y.; Gao, C.-Z.; Wei, B.

2018-02-01

Using time-dependent density-functional theory at the level of local density approximation augmented by a self-interaction correction and coupled non-adiabatically to molecular dynamics, we study, from a theoretical perspective, scattering dynamics of the proton in collisions with the N2 molecule at 30 eV. Nine different collision configurations are employed to analyze the proton energy loss spectra, electron depletion, scattering angles and self-interaction effects. Our results agree qualitatively with the experimental data and previous theoretical calculations. The discrepancies are ascribed to the limitation of the theoretical models in use. We find that self-interaction effects can significantly influence the electron capture and the excited diatomic vibrational motion, which is in consistent with other calculations. In addition, it is found that the molecular structure can be readily retrieved from the proton energy loss spectra due to a significant momentum transfer in head-on collisions.

Theoretical and Experimental Estimations of Volumetric Inductive Phase Shift in Breast Cancer Tissue

NASA Astrophysics Data System (ADS)

González, C. A.; Lozano, L. M.; Uscanga, M. C.; Silva, J. G.; Polo, S. M.

2013-04-01

Impedance measurements based on magnetic induction for breast cancer detection has been proposed in some studies. This study evaluates theoretical and experimentally the use of a non-invasive technique based on magnetic induction for detection of patho-physiological conditions in breast cancer tissue associated to its volumetric electrical conductivity changes through inductive phase shift measurements. An induction coils-breast 3D pixel model was designed and tested. The model involves two circular coils coaxially centered and a human breast volume centrally placed with respect to the coils. A time-harmonic numerical simulation study addressed the effects of frequency-dependent electrical properties of tumoral tissue on the volumetric inductive phase shift of the breast model measured with the circular coils as inductor and sensor elements. Experimentally; five female volunteer patients with infiltrating ductal carcinoma previously diagnosed by the radiology and oncology departments of the Specialty Clinic for Women of the Mexican Army were measured by an experimental inductive spectrometer and the use of an ergonomic inductor-sensor coil designed to estimate the volumetric inductive phase shift in human breast tissue. Theoretical and experimental inductive phase shift estimations were developed at four frequencies: 0.01, 0.1, 1 and 10 MHz. The theoretical estimations were qualitatively in agreement with the experimental findings. Important increments in volumetric inductive phase shift measurements were evident at 0.01MHz in theoretical and experimental observations. The results suggest that the tested technique has the potential to detect pathological conditions in breast tissue associated to cancer by non-invasive monitoring. Further complementary studies are warranted to confirm the observations.

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.

Nativization processes in L1 Esperanto.

PubMed

Bergen, B K

2001-10-01

The artificial language Esperanto is spoken not only as a second language, by its proponents, but also as a native language by children of some of those proponents. The present study is a preliminary description of some characteristics of the Native Esperanto (NE) of eight speakers, ranging in age from six to fourteen years. As such, it is the first of its kind--previous works on NE are either theoretical treatises or individual case studies. We find, at least for the eight subjects studied, both bilingualism and nativization effects, differentiating native from non-native Esperanto speech. Among these effects are loss or modification of the accusative case, phonological reduction, attrition of the tense/aspect system, and pronominal cliticization. The theoretical ramifications are discussed, particularly with regard to universals of language acquisition and the effects of expressive requirements of language.

Swinging Atwood Machine: Experimental and numerical results, and a theoretical study

NASA Astrophysics Data System (ADS)

Pujol, O.; Pérez, J. P.; Ramis, J. P.; Simó, C.; Simon, S.; Weil, J. A.

2010-06-01

A Swinging Atwood Machine ( SAM) is built and some experimental results concerning its dynamic behaviour are presented. Experiments clearly show that pulleys play a role in the motion of the pendulum, since they can rotate and have non-negligible radii and masses. Equations of motion must therefore take into account the moment of inertia of the pulleys, as well as the winding of the rope around them. Their influence is compared to previous studies. A preliminary discussion of the role of dissipation is included. The theoretical behaviour of the system with pulleys is illustrated numerically, and the relevance of different parameters is highlighted. Finally, the integrability of the dynamic system is studied, the main result being that the machine with pulleys is non-integrable. The status of the results on integrability of the pulley-less machine is also recalled.

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

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…

Comparison of experimental with theoretical total-pressure loss in parallel-walled turbojet combustors

NASA Technical Reports Server (NTRS)

Dittrich, Ralph T

1957-01-01

An experimental investigation of combustor total-pressure loss was undertaken to confirm previous theoretical analyses of effects of geometric and flow variables and of heat addition. The results indicate that a reasonable estimate of cold-flow total-pressure-loss coefficient may be obtained from the theoretical analyses. Calculated total-pressure loss due to heat addition agreed with experimental data only when there was no flame ejection from the liner at the upstream air-entry holes.

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.

A theoretical study of interaction effects on the remanence curves of particulate dispersions

NASA Astrophysics Data System (ADS)

Fearon, M.; Chantrell, R. W.; Wohlfarth, E. P.

1990-05-01

The remanence curves of strongly interacting fine-particle systems are investigated theoretically. It is 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 is 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 also investigated. The results are consistent with a previous experimental study. Finally, the effect of interactions on the Switching Field Distribution are investigated.

Critical diversity: Divided or united states of social coordination

PubMed Central

Kelso, J. A. Scott; Tognoli, Emmanuelle

2018-01-01

Much of our knowledge of coordination comes from studies of simple, dyadic systems or systems containing large numbers of components. The huge gap ‘in between’ is seldom addressed, empirically or theoretically. We introduce a new paradigm to study the coordination dynamics of such intermediate-sized ensembles with the goal of identifying key mechanisms of interaction. Rhythmic coordination was studied in ensembles of eight people, with differences in movement frequency (‘diversity’) manipulated within the ensemble. Quantitative change in diversity led to qualitative changes in coordination, a critical value separating régimes of integration and segregation between groups. Metastable and multifrequency coordination between participants enabled communication across segregated groups within the ensemble, without destroying overall order. These novel findings reveal key factors underlying coordination in ensemble sizes previously considered too complicated or 'messy' for systematic study and supply future theoretical/computational models with new empirical checkpoints. PMID:29617371

Theoretical studies of photoexcitation and ionization in H2O

NASA Technical Reports Server (NTRS)

Diercksen, G. H. F.; Kraemer, W. P.; Rescigno, T. N.; Bender, C. F.; Mckoy, B. V.; Langhoff, S. R.; Langhoff, P. W.

1982-01-01

Theoretical studies using Franck-Condon and static-exchange approximations are reported for the complete dipole excitation and ionization spectrum in H2O, where (1) large Cartesian Gaussian basis sets are used to represent the required discrete and continuum electronic eigenfunctions at the ground state equilibrium geometry, and (2) previously devised moment-theory techniques are employed in constructing the continuum oscillator-strength densities from the calculated spectra. Comparisons are made of the calculated excitation and ionization profiles with recent experimental photoabsorption studies and corresponding spectral assignments, electron impact-excitation cross sections, and dipole and synchrotron-radiation studies of partial-channel photoionization cross sections. The calculated partial-channel cross sections are found to be atomic-like, and dominated by 2p-kd components. It is suggested that the latter transition couples with the underlying 1b(1)-kb(1) channel, accounting for a prominent feature in recent synchrotron-radiation measurements.

An Experimental Study in the Use of Computer-Based Instruction to Teach Automated Spreadsheet Functions

DTIC Science & Technology

1991-09-01

review of past CBI studies -was conducted to provide the researcher a theoretical knowledge base on the effectiveness and efficiency of CBI. A summary...Literature Review Findinms on Ways to Measure CBI Effectiveness and Efficiency. The literature included previously conducted CBI experiments, studies , and...nine choices on each main and submenu (14:16). 3) Allow the student to make a menu selection with upper or lower case entries (28:291). 4) Prevent

An eight-dimensional quantum dynamics study of the Cl + CH{sub 4}→ HCl + CH{sub 3} reaction

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

Liu, Na; Yang, Minghui, E-mail: yangmh@wipm.ac.cn

2015-10-07

In this work, the later-barrier reaction Cl + CH{sub 4} → HCl + CH{sub 3} is investigated with an eight-dimensional quantum dynamics method [R. Liu et al., J. Chem. Phys. 137, 174113 (2012)] on the ab initio potential energy surface of Czakó and Bowman [J. Chem. Phys. 136, 044307 (2012)]. The reaction probabilities with CH{sub 4} initially in its ground and vibrationally excited states are calculated with a time-dependent wavepacket method. The theoretical integral cross sections (ICSs) are extensively compared with the available experimental measurements. For the ground state reaction, the theoretical ICSs excellently agree with the experimental ones. Themore » good agreements are also achieved for ratios between ICSs of excited reactions. For ICS ratios between various states, the theoretical values are also consistent with the experimental observations. The rate constants over 200-2000 K are calculated and the non-Arrhenius effect has been observed which is coincident with the previous experimental observations and theoretical calculations.« less

A Theoretical Study of 8-Chloro-9-Hydroxy-Aflatoxin B₁, the Conversion Product of Aflatoxin B₁ by Neutral Electrolyzed Water.

PubMed

Escobedo-González, René; Méndez-Albores, Abraham; Villarreal-Barajas, Tania; Aceves-Hernández, Juan Manuel; Miranda-Ruvalcaba, René; Nicolás-Vázquez, Inés

2016-07-21

Theoretical studies of 8-chloro-9-hydroxy-aflatoxin B₁ (2) were carried out by Density Functional Theory (DFT). This molecule is the reaction product of the treatment of aflatoxin B₁ (1) with hypochlorous acid, from neutral electrolyzed water. Determination of the structural, electronic and spectroscopic properties of the reaction product allowed its theoretical characterization. In order to elucidate the formation process of 2, two reaction pathways were evaluated-the first one considering only ionic species (Cl⁺ and OH(-)) and the second one taking into account the entire hypochlorous acid molecule (HOCl). Both pathways were studied theoretically in gas and solution phases. In the first suggested pathway, the reaction involves the addition of chlorenium ion to 1 forming a non-classic carbocation assisted by anchimeric effect of the nearest aromatic system, and then a nucleophilic attack to the intermediate by the hydroxide ion. In the second studied pathway, as a first step, the attack of the double bond from the furanic moiety of 1 to the hypochlorous acid is considered, accomplishing the same non-classical carbocation, and again in the second step, a nucleophilic attack by the hydroxide ion. In order to validate both reaction pathways, the atomic charges, the highest occupied molecular orbital and the lowest unoccupied molecular orbital were obtained for both substrate and product. The corresponding data imply that the C₉ atom is the more suitable site of the substrate to interact with the hydroxide ion. It was demonstrated by theoretical calculations that a vicinal and anti chlorohydrin is produced in the terminal furan ring. Data of the studied compound indicate an important reduction in the cytotoxic and genotoxic potential of the target molecule, as demonstrated previously by our research group using different in vitro assays.

Validity of thermally-driven small-scale ventilated filling box models

NASA Astrophysics Data System (ADS)

Partridge, Jamie L.; Linden, P. F.

2013-11-01

The majority of previous work studying building ventilation flows at laboratory scale have used saline plumes in water. The production of buoyancy forces using salinity variations in water allows dynamic similarity between the small-scale models and the full-scale flows. However, in some situations, such as including the effects of non-adiabatic boundaries, the use of a thermal plume is desirable. The efficacy of using temperature differences to produce buoyancy-driven flows representing natural ventilation of a building in a small-scale model is examined here, with comparison between previous theoretical and new, heat-based, experiments.

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

Simple theoretical models for composite rotor blades

NASA Technical Reports Server (NTRS)

Valisetty, R. R.; Rehfield, L. W.

1984-01-01

The development of theoretical rotor blade structural models for designs based upon composite construction is discussed. Care was exercised to include a member of nonclassical effects that previous experience indicated would be potentially important to account for. A model, representative of the size of a main rotor blade, is analyzed in order to assess the importance of various influences. The findings of this model study suggest that for the slenderness and closed cell construction considered, the refinements are of little importance and a classical type theory is adequate. The potential of elastic tailoring is dramatically demonstrated, so the generality of arbitrary ply layup in the cell wall is needed to exploit this opportunity.

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 (D’50). We find that surface median grain size (...

A Randomized Controlled Trial of Acceptance-Based Behavior Therapy and Cognitive Therapy for Test Anxiety: A Pilot Study

ERIC Educational Resources Information Center

Brown, Lily A.; Forman, Evan M.; Herbert, James D.; Hoffman, Kimberly L.; Yuen, Erica K.; Goetter, Elizabeth M.

2011-01-01

Many university students suffer from test anxiety that is severe enough to impair performance. Given mixed efficacy results of previous cognitive-behavior therapy (CBT) trials and a theoretically driven rationale, an acceptance-based behavior therapy (ABBT) approach was compared to traditional CBT (i.e., Beckian cognitive therapy; CT) for the…

The Relationship between Intelligence and Multiple Domains of Religious Belief: Evidence from a Large Adult US Sample

ERIC Educational Resources Information Center

Lewis, Gary J.; Ritchie, Stuart J.; Bates, Timothy C.

2011-01-01

High levels of religiosity have been linked to lower levels of intelligence in a number of recent studies. These results have generated both controversy and theoretical interest. Here in a large sample of US adults we address several issues that restricted the generalizability of these previous results. We measured six dimensions of religiosity…

Theory, Practice and Competences in the Study of Pedagogy--Views of Ljubljana and Belgrade University Teachers

ERIC Educational Resources Information Center

Ermenc, Klara Skubic; Vujisic Živkovic, Nataša; Spasenovic, Vera

2015-01-01

Over the previous decade, higher education in Slovenia and Serbia has undergone considerable reforms, influenced by the Bologna process and its agenda of competence and learning outcomes. In the context of these reforms, the aim of this research is to consider the question of the relationship between the theoretical and the practical education of…

Effect of magnetization boundary condition on cavity magnon polariton of YIG thin film.

PubMed

Jiang, H H; Xiao, Y; Hu, C M; Guo, H; Xia, K

2018-06-22

Motivated by recent studies of cavity magnon polariton (CMP), we extended a previous theoretical work to generalize microwave transmission calculation with various magnetization boundary condition of YIG thin film embedded in cavity. It is found that numerical implementation given in this paper can be easily applied to other magnetization boundary condition and extended to magnetic multilayers. Numerical results show that ferromagnetic resonance mode of microwave transmission spectrum, which is absent in previous calculation, can be recovered by altering the pinning condition of surface spins. The demonstrated reliability of our theory opens attractive perspectives for studying CMP of thin film with complicated surface magnetization distribution and magnetic multilayers.

Effect of magnetization boundary condition on cavity magnon polariton of YIG thin film

NASA Astrophysics Data System (ADS)

Jiang, H. H.; Xiao, Y.; Hu, C. M.; Guo, H.; Xia, K.

2018-06-01

Motivated by recent studies of cavity magnon polariton (CMP), we extended a previous theoretical work to generalize microwave transmission calculation with various magnetization boundary condition of YIG thin film embedded in cavity. It is found that numerical implementation given in this paper can be easily applied to other magnetization boundary condition and extended to magnetic multilayers. Numerical results show that ferromagnetic resonance mode of microwave transmission spectrum, which is absent in previous calculation, can be recovered by altering the pinning condition of surface spins. The demonstrated reliability of our theory opens attractive perspectives for studying CMP of thin film with complicated surface magnetization distribution and magnetic multilayers.

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 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.

Stochastic Processes as True-Score Models for Highly Speeded Mental Tests.

ERIC Educational Resources Information Center

Moore, William E.

The previous theoretical development of the Poisson process as a strong model for the true-score theory of mental tests is discussed, and additional theoretical properties of the model from the standpoint of individual examinees are developed. The paper introduces the Erlang process as a family of test theory models and shows in the context of…

Student Voice as a Contested Practice: Power and Participation in Two Student Voice Projects

ERIC Educational Resources Information Center

Robinson, Carol; Taylor, Carol

2013-01-01

This article applies theoretical understandings of power relations within student voice work to two empirical examples of school-based student voice projects. The article builds on and refines theoretical understandings of power and participation developed in previous articles written by the authors. The first article argued that at the heart of…

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

Monaghan, P; Shneor, R; Subedi, R

The five-fold differential cross section for the 12C(e,e'p)11B reaction was determined over a missing momentum range of 200-400 MeV/c, in a kinematics regime with Bjorken x > 1 and Q2 = 2.0 (GeV/c)2. A comparison of the results and theoretical models and previous lower missing momentum data is shown. The theoretical calculations agree well with the data up to a missing momentum value of 325 MeV/c and then diverge for larger missing momenta. The extracted distorted momentum distribution is shown to be consistent with previous data and extends the range of available data up to 400 MeV/c.

Exploring Environmental Factors in Nursing Workplaces That Promote Psychological Resilience: Constructing a Unified Theoretical Model

PubMed Central

Cusack, Lynette; Smith, Morgan; Hegney, Desley; Rees, Clare S.; Breen, Lauren J.; Witt, Regina R.; Rogers, Cath; Williams, Allison; Cross, Wendy; Cheung, Kin

2016-01-01

Building nurses' resilience to complex and stressful practice environments is necessary to keep skilled nurses in the workplace and ensuring safe patient care. A unified theoretical framework titled Health Services Workplace Environmental Resilience Model (HSWERM), is presented to explain the environmental factors in the workplace that promote nurses' resilience. The framework builds on a previously-published theoretical model of individual resilience, which identified the key constructs of psychological resilience as self-efficacy, coping and mindfulness, but did not examine environmental factors in the workplace that promote nurses' resilience. This unified theoretical framework was developed using a literary synthesis drawing on data from international studies and literature reviews on the nursing workforce in hospitals. The most frequent workplace environmental factors were identified, extracted and clustered in alignment with key constructs for psychological resilience. Six major organizational concepts emerged that related to a positive resilience-building workplace and formed the foundation of the theoretical model. Three concepts related to nursing staff support (professional, practice, personal) and three related to nursing staff development (professional, practice, personal) within the workplace environment. The unified theoretical model incorporates these concepts within the workplace context, linking to the nurse, and then impacting on personal resilience and workplace outcomes, and its use has the potential to increase staff retention and quality of patient care. PMID:27242567

Scientific communication in clinical psychology: examining patterns of citations and references.

PubMed

Kiselica, Andrew M; Ruscio, John

2014-01-01

Previous studies of scientific communication used citation mapping, establishing psychology as a 'hub science' from which many other fields draw information. Within psychology, the clinical and counselling discipline is a major 'knowledge broker'. This study analyzed scientific communication among three major subdisciplines of clinical psychology-the cognitive-behavioural, psychodynamic and humanistic schools of thought-by examining patterns of references within and citations to 305 target articles published in leading journals of these subdisciplines. The results suggest that clinical researchers of each theoretical orientation engage in more insular scientific communication than an integrationist would find desirable and that cognitive-behavioural articles are more closely connected to mainstream psychology and related fields. Eclectic practitioners draw on several different theoretical orientations to inform their practice; as such, they should be interested in understanding the patterns of scientific communication within and across theoretical orientations. Practitioners work in a variety of different mental health settings, with a variety of other professionals in psychology-related fields, and should be interested in how much influence their particular theoretical orientation has on the work of colleagues. Many practitioners rely on new, evidence-based research to inform their work. The results of this study provide these individuals with an objective measure of the influence of empirical work in different areas of clinical psychology. Copyright © 2012 John Wiley & Sons, Ltd.

Experimental and theoretical study of the electronic spectrum of the BAr2 complex: Transition to the excited valence B(2s2p2 2D) state

NASA Astrophysics Data System (ADS)

Krumrine, Jennifer R.; Alexander, Millard H.; Yang, Xin; Dagdigian, Paul J.

2000-03-01

The 2s2p22D←2s22p 2P valence transition in the BAr2 cluster is investigated in a collaborative experimental and theoretical study. Laser fluorescence excitation spectra of a supersonic expansion of B atoms entrained in Ar at high source backing pressures display several features not assignable to the BAr complex. Resonance fluorescence is not observed, but instead emission from the lower 3s state. Size-selected fluorescence depletion spectra show that these features in the excitation spectrum are primarily due to the BAr2 complex. This electronic transition within BAr2 is modeled theoretically, similarly to our earlier study of the 3s←2p transition [M. H. Alexander et al., J. Chem. Phys. 106, 6320 (1997)]. The excited potential energy surfaces of the fivefold degenerate B(2s2p22D) state within the ternary complex are computed in a pairwise-additive model employing diatomic BAr potential energy curves which reproduce our previous experimental observations on the electronic states emanating from the B(2D)+Ar asymptote. The simulated absorption spectrum reproduces reasonably well the observed fluorescence depletion spectrum. The theoretical model lends insight into the energetics of the approach of B to multiple Ar atoms, and how the orientation of B p-orbitals governs the stability of the complex.

Matrix isolation infrared spectroscopic and theoretical study of 1,1,1-trifluoro-2-chloroethane (HCFC-133a)

NASA Astrophysics Data System (ADS)

Rodrigues, Gessenildo Pereira; Lucena, Juracy Régis; Ventura, Elizete; Andrade do Monte, Silmar; Reva, Igor; Fausto, Rui

2013-11-01

The molecular structure and infrared spectrum of the atmospheric pollutant 1,1,1-trifluoro-2-chloroethane (HCFC-133a; CF3CH2Cl) in the ground electronic state were characterized experimentally and theoretically. Excited state calculations (at the CASSCF, MR-CISD, and MR-CISD+Q levels) have also been performed in the range up to ˜9.8 eV. The theoretical calculations show the existence of one (staggered) conformer, which has been identified spectroscopically for the monomeric compound isolated in cryogenic (˜10 K) argon and xenon matrices. The observed infrared spectra of the matrix-isolated HCFC-133a were interpreted with the aid of MP2/aug-cc-pVTZ calculations and normal coordinate analysis, which allowed a detailed assignment of the observed spectra to be carried out, including identification of bands due to different isotopologues (35Cl and 37Cl containing molecules). The calculated energies of the several excited states along with the values of oscillator strengths and previous results obtained for CFCs and HCFCs suggest that the previously reported photolyses of the title compound at 147 and 123.6 nm [T. Ichimura, A. W. Kirk, and E. Tschuikow-Roux, J. Phys. Chem. 81, 1153 (1977)] are likely to be initiated in the n-4s and n-4p Rydberg states, respectively.

Laminar Motion of the Incompressible Fluids in Self-Acting Thrust Bearings with Spiral Grooves

PubMed Central

Velescu, Cornel; Popa, Nicolae Calin

2014-01-01

We analyze the laminar motion of incompressible fluids in self-acting thrust bearings with spiral grooves with inner or external pumping. The purpose of the study is to find some mathematical relations useful to approach the theoretical functionality of these bearings having magnetic controllable fluids as incompressible fluids, in the presence of a controllable magnetic field. This theoretical study approaches the permanent motion regime. To validate the theoretical results, we compare them to some experimental results presented in previous papers. The laminar motion of incompressible fluids in bearings is described by the fundamental equations of fluid dynamics. We developed and particularized these equations by taking into consideration the geometrical and functional characteristics of these hydrodynamic bearings. Through the integration of the differential equation, we determined the pressure and speed distributions in bearings with length in the “pumping” direction. These pressure and speed distributions offer important information, both quantitative (concerning the bearing performances) and qualitative (evidence of the viscous-inertial effects, the fluid compressibility, etc.), for the laminar and permanent motion regime. PMID:24526896

Laminar motion of the incompressible fluids in self-acting thrust bearings with spiral grooves.

PubMed

Velescu, Cornel; Popa, Nicolae Calin

2014-01-01

We analyze the laminar motion of incompressible fluids in self-acting thrust bearings with spiral grooves with inner or external pumping. The purpose of the study is to find some mathematical relations useful to approach the theoretical functionality of these bearings having magnetic controllable fluids as incompressible fluids, in the presence of a controllable magnetic field. This theoretical study approaches the permanent motion regime. To validate the theoretical results, we compare them to some experimental results presented in previous papers. The laminar motion of incompressible fluids in bearings is described by the fundamental equations of fluid dynamics. We developed and particularized these equations by taking into consideration the geometrical and functional characteristics of these hydrodynamic bearings. Through the integration of the differential equation, we determined the pressure and speed distributions in bearings with length in the "pumping" direction. These pressure and speed distributions offer important information, both quantitative (concerning the bearing performances) and qualitative (evidence of the viscous-inertial effects, the fluid compressibility, etc.), for the laminar and permanent motion regime.

Scattering matrix approach to the dissociative recombination of HCO{sup +} and N{sub 2}H{sup +}

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

Fonseca dos Santos, S.; Douguet, N.; Orel, A. E.

We present a theoretical study of the indirect dissociative recombination of linear polyatomic ions at low collisional energies. The approach is based on the computation of the scattering matrix just above the ionization threshold and enables the explicit determination of all diabatic electronic couplings responsible for dissociative recombination. In addition, we use the multi-channel quantum-defect theory to demonstrate the precision of the scattering matrix by reproducing accurately ab initio Rydberg state energies of the neutral molecule. We consider the molecular ions N{sub 2}H{sup +} and HCO{sup +} as benchmark systems of astrophysical interest and improve former theoretical studies, which hadmore » repeatedly produced smaller cross sections than experimentally measured. Specifically, we demonstrate the crucial role of the previously overlooked stretching modes for linear polyatomic ions with large permanent dipole moment. The theoretical cross sections for both ions agree well with experimental data over a wide energy range. Finally, we consider the potential role of the HOC{sup +} isomer in the experimental cross sections of HCO{sup +} at energies below 10 meV.« less

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 studies of potential energy surface and rotational spectra of Xe -H2O van der Waals complex

NASA Astrophysics Data System (ADS)

Wang, Lin; Yang, Minghui

2008-11-01

In this work we report an ab initio intermolecular potential energy surface and theoretical spectroscopic studies for Xe -H2O complex. The ab initio energies are calculated with CCSD(T) method and large basis sets (aug-cc-pVQZ for H and O and aug-cc-pVQZ-PP for Xe) augmented by a {3s3p2d2f1g} set of bond functions. This potential energy surface has a global minimum corresponding to a planar and nearly linear hydrogen bonded configuration with a well depth of 192.5cm-1 at intermolecular distance of 4.0Å, which is consistent with the previous determined potential by Wen and Jäger [J. Phys. Chem. A 110, 7560 (2006)]. The bound state calculations have been performed for the complex by approximating the water molecule as a rigid rotor. The theoretical rotational transition frequencies, isotopic shifts, nuclear quadrupole coupling constants, and structure parameters are in good agreement with the experimental observed values. The wavefunctions are analyzed to understand the dynamics of the ground and the first excited states.

Bulk dynamics of Brownian hard disks: Dynamical density functional theory versus experiments on two-dimensional colloidal hard spheres

NASA Astrophysics Data System (ADS)

Stopper, Daniel; Thorneywork, Alice L.; Dullens, Roel P. A.; Roth, Roland

2018-03-01

Using dynamical density functional theory (DDFT), we theoretically study Brownian self-diffusion and structural relaxation of hard disks and compare to experimental results on quasi two-dimensional colloidal hard spheres. To this end, we calculate the self-van Hove correlation function and distinct van Hove correlation function by extending a recently proposed DDFT-approach for three-dimensional systems to two dimensions. We find that the theoretical results for both self-part and distinct part of the van Hove function are in very good quantitative agreement with the experiments up to relatively high fluid packing fractions of roughly 0.60. However, at even higher densities, deviations between the experiment and the theoretical approach become clearly visible. Upon increasing packing fraction, in experiments, the short-time self-diffusive behavior is strongly affected by hydrodynamic effects and leads to a significant decrease in the respective mean-squared displacement. By contrast, and in accordance with previous simulation studies, the present DDFT, which neglects hydrodynamic effects, shows no dependence on the particle density for this quantity.

Study of ICRF wave propagation and plasma coupling efficiency in a linear magnetic mirror device

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

Peng, S.Y.

1991-07-01

Ion Cyclotron Range of Frequency (ICRF) wave propagation in an inhomogeneous axial magnetic field in a cylindrical plasma-vacuum system has historically been inadequately modelled. Previous works either sacrifice the cylindrical geometry in favor of a simpler slab geometry, concentrate on the resonance region, use a single mode to represent the entire field structure, or examine only radial propagation. This thesis performs both analytical and computational studies to model the ICRF wave-plasma coupling and propagation problem. Experimental analysis is also conducted to compare experimental results with theoretical predictions. Both theoretical as well as experimental analysis are undertaken as part of themore » thesis. The theoretical studies simulate the propagation of ICRF waves in an axially inhomogeneous magnetic field and in cylindrical geometry. Two theoretical analysis are undertaken - an analytical study and a computational study. The analytical study treats the inhomogeneous magnetic field by transforming the (r,z) coordinate into another coordinate system ({rho},{xi}) that allows the solution of the fields with much simpler boundaries. The plasma fields are then Fourier transformed into two coupled convolution-integral equations which are then differenced and solved for both the perpendicular mode number {alpha} as well as the complete EM fields. The computational study involves a multiple eigenmode computational analysis of the fields that exist within the plasma-vacuum system. The inhomogeneous axial field is treated by dividing the geometry into a series of transverse axial slices and using a constant dielectric tensor in each individual slice. The slices are then connected by longitudinal boundary conditions.« less

Patient Autonomy in a High-Tech Care Context - A Theoretical Framework.

PubMed

Lindberg, Catharina; Fagerström, Cecilia; Willman, Ania

2018-06-12

To synthesise and interpret previous findings with the aim of developing a theoretical framework for patient autonomy in a high-tech care context. Putting the somewhat abstract concept of patient autonomy into practice can prove difficult since when it is highlighted in healthcare literature the patient perspective is often invisible. Autonomy presumes that a person has experience, education, self-discipline and decision-making capacity. Reference to autonomy in relation to patients in high-tech care environments could therefore be considered paradoxical, as in most cases these persons are vulnerable, with impaired physical and/or metacognitive capacity, thus making extended knowledge of patient autonomy for these persons even more important. Theory development. The basic approaches in theory development by Walker and Avant were used to create a theoretical framework through an amalgamation of the results from three qualitative studies conducted previously by the same research group. A theoretical framework - the control-partnership-transition framework - was delineated disclosing different parts co-creating the prerequisites for patient autonomy in high-tech care environments. Assumptions and propositional statements that guide theory development were also outlined, as were guiding principles for use in day-to-day nursing care. Four strategies used by patients were revealed: the strategy of control, the strategy of partnership, the strategy of trust, and the strategy of transition. An extended knowledge base, founded on theoretical reasoning about patient autonomy, could facilitate nursing care that would allow people to remain/become autonomous in the role of patient in high-tech care environments. The control-partnership-transition framework would be of help in supporting and defending patient autonomy when caring for individual patients, as it provides an understanding of the strategies employed by patients to achieve autonomy in high-tech care contexts. The guiding principles for patient autonomy presented could be used in nursing guidelines. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

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.

When the Mannequin Dies, Creation and Exploration of a Theoretical Framework Using a Mixed Methods Approach.

PubMed

Tripathy, Shreepada; Miller, Karen H; Berkenbosch, John W; McKinley, Tara F; Boland, Kimberly A; Brown, Seth A; Calhoun, Aaron W

2016-06-01

Controversy exists in the simulation community as to the emotional and educational ramifications of mannequin death due to learner action or inaction. No theoretical framework to guide future investigations of learner actions currently exists. The purpose of our study was to generate a model of the learner experience of mannequin death using a mixed methods approach. The study consisted of an initial focus group phase composed of 11 learners who had previously experienced mannequin death due to action or inaction on the part of learners as defined by Leighton (Clin Simul Nurs. 2009;5(2):e59-e62). Transcripts were analyzed using grounded theory to generate a list of relevant themes that were further organized into a theoretical framework. With the use of this framework, a survey was generated and distributed to additional learners who had experienced mannequin death due to action or inaction. Results were analyzed using a mixed methods approach. Forty-one clinicians completed the survey. A correlation was found between the emotional experience of mannequin death and degree of presession anxiety (P < 0.001). Debriefing was found to significantly reduce negative emotion and enhance satisfaction. Sixty-nine percent of respondents indicated that mannequin death enhanced learning. These results were used to modify our framework. Using the previous approach, we created a model of the effect of mannequin death on the educational and psychological state of learners. We offer the final model as a guide to future research regarding the learner experience of mannequin death.

Self-efficacy in weight management.

PubMed

Clark, M M; Abrams, D B; Niaura, R S; Eaton, C A; Rossi, J S

1991-10-01

Self-efficacy is an important mediating mechanism in advancing understanding of the treatment of obesity. This study developed and validated the Weight Efficacy Life-Style Questionnaire (WEL), improving on previous studies by the use of clinical populations, cross-validation of the initial factor analysis, exploration of the best fitting theoretical model of self-efficacy, and examination of change in treatment. The resulting 20-item WEL consists of five situational factors: Negative Emotions, Availability, Social Pressure, Physical Discomfort, and Positive Activities. A hierarchical model was found to provide the best fit to the data. Results from two separate clinical treatment studies (total N = 382) show that the WEL is sensitive to changes in global scores as well as to a subset of the five situational factor scores. Treatment programs may be incomplete if they change only a subset of the situational dimensions of self-efficacy. Theoretical and clinical implications are discussed.

Event Networks and the Identification of Crime Pattern Motifs

PubMed Central

2015-01-01

In this paper we demonstrate the use of network analysis to characterise patterns of clustering in spatio-temporal events. Such clustering is of both theoretical and practical importance in the study of crime, and forms the basis for a number of preventative strategies. However, existing analytical methods show only that clustering is present in data, while offering little insight into the nature of the patterns present. Here, we show how the classification of pairs of events as close in space and time can be used to define a network, thereby generalising previous approaches. The application of graph-theoretic techniques to these networks can then offer significantly deeper insight into the structure of the data than previously possible. In particular, we focus on the identification of network motifs, which have clear interpretation in terms of spatio-temporal behaviour. Statistical analysis is complicated by the nature of the underlying data, and we provide a method by which appropriate randomised graphs can be generated. Two datasets are used as case studies: maritime piracy at the global scale, and residential burglary in an urban area. In both cases, the same significant 3-vertex motif is found; this result suggests that incidents tend to occur not just in pairs, but in fact in larger groups within a restricted spatio-temporal domain. In the 4-vertex case, different motifs are found to be significant in each case, suggesting that this technique is capable of discriminating between clustering patterns at a finer granularity than previously possible. PMID:26605544

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.

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.

Sociomateriality: a theoretical framework for studying distributed medical education.

PubMed

MacLeod, Anna; Kits, Olga; Whelan, Emma; Fournier, Cathy; Wilson, Keith; Power, Gregory; Mann, Karen; Tummons, Jonathan; Brown, Peggy Alexiadis

2015-11-01

Distributed medical education (DME) is a type of distance learning in which students participate in medical education from diverse geographic locations using Web conferencing, videoconferencing, e-learning, and similar tools. DME is becoming increasingly widespread in North America and around the world.Although relatively new to medical education, distance learning has a long history in the broader field of education and a related body of literature that speaks to the importance of engaging in rigorous and theoretically informed studies of distance learning. The existing DME literature is helpful, but it has been largely descriptive and lacks a critical "lens"-that is, a theoretical perspective from which to rigorously conceptualize and interrogate DME's social (relationships, people) and material (technologies, tools) aspects.The authors describe DME and theories about distance learning and show that such theories focus on social, pedagogical, and cognitive considerations without adequately taking into account material factors. They address this gap by proposing sociomateriality as a theoretical framework allowing researchers and educators to study DME and (1) understand and consider previously obscured actors, infrastructure, and other factors that, on the surface, seem unrelated and even unimportant; (2) see clearly how the social and material components of learning are intertwined in fluid, messy, and often uncertain ways; and (3) perhaps think differently, even in ways that disrupt traditional approaches, as they explore DME. The authors conclude that DME brings with it substantial investments of social and material resources, and therefore needs careful study, using approaches that embrace its complexity.

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.

Ultracold Anions for High-Precision Antihydrogen Experiments

NASA Astrophysics Data System (ADS)

Cerchiari, G.; Kellerbauer, A.; Safronova, M. S.; Safronova, U. I.; Yzombard, P.

2018-03-01

Experiments with antihydrogen (H ¯) for a study of matter-antimatter symmetry and antimatter gravity require ultracold H ¯ to reach ultimate precision. A promising path towards antiatoms much colder than a few kelvin involves the precooling of antiprotons by laser-cooled anions. Because of the weak binding of the valence electron in anions—dominated by polarization and correlation effects—only few candidate systems with suitable transitions exist. We report on a combination of experimental and theoretical studies to fully determine the relevant binding energies, transition rates, and branching ratios of the most promising candidate La- . Using combined transverse and collinear laser spectroscopy, we determined the resonant frequency of the laser cooling transition to be ν =96.592 713 (91 ) THz and its transition rate to be A =4.90 (50 )×104 s-1 . Using a novel high-precision theoretical treatment of La- we calculated yet unmeasured energy levels, transition rates, branching ratios, and lifetimes to complement experimental information on the laser cooling cycle of La- . The new data establish the suitability of La- for laser cooling and show that the cooling transition is significantly stronger than suggested by a previous theoretical study.

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).

Ultracold Anions for High-Precision Antihydrogen Experiments.

PubMed

Cerchiari, G; Kellerbauer, A; Safronova, M S; Safronova, U I; Yzombard, P

2018-03-30

Experiments with antihydrogen (H[over ¯]) for a study of matter-antimatter symmetry and antimatter gravity require ultracold H[over ¯] to reach ultimate precision. A promising path towards antiatoms much colder than a few kelvin involves the precooling of antiprotons by laser-cooled anions. Because of the weak binding of the valence electron in anions-dominated by polarization and correlation effects-only few candidate systems with suitable transitions exist. We report on a combination of experimental and theoretical studies to fully determine the relevant binding energies, transition rates, and branching ratios of the most promising candidate La^{-}. Using combined transverse and collinear laser spectroscopy, we determined the resonant frequency of the laser cooling transition to be ν=96.592 713(91)  THz and its transition rate to be A=4.90(50)×10^{4}  s^{-1}. Using a novel high-precision theoretical treatment of La^{-} we calculated yet unmeasured energy levels, transition rates, branching ratios, and lifetimes to complement experimental information on the laser cooling cycle of La^{-}. The new data establish the suitability of La^{-} for laser cooling and show that the cooling transition is significantly stronger than suggested by a previous theoretical study.

Recent progress on beam stability study in the PSR

NASA Astrophysics Data System (ADS)

Wang, Tai-Sen F.; Channell, Paul J.; Cooper, Richard K.; Fitzgerald, Daniel H.; Hardek, Tom; Hutson, Richard; Jason, Andrew J.; Macek, Robert J.; Plum, Michael A.; Wilkinson, Carol

A fast transverse instability has been observed in the Los Alamos Proton Storage Ring (PSR) when the injected beam intensity reaches more than 2 (times) 10(exp 13) protons per pulse. Understanding the cause and control of this instability has taken on new importance as the neutron-scattering community considers the next generation of accelerator-driven spallation-neutron sources, which call for peak-proton intensities of 10(exp 14) per pulse or higher. Previous observations and theoretical studies indicate that the instability in the PSR is most likely driven by electrons trapped within the proton beam. Recent studies using an experimental electron-clearing system and voltage-biased pinger-electrodes for electron clearing and collection support this hypothesis. Experiments have also been performed to study the instability threshold when varying the electron production rate. Theoretical studies include a computer simulation of a simplified model for the e -- p instability and the investigation of possible electron confinement in the ring-element magnetic fields. This paper reports some recent results from these studies.

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

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.

Using the TAT to Assess the Relation Between Gender Identity and the Use of Defense Mechanisms.

PubMed

Cramer, Phebe

2017-01-01

The purpose of this study is to explore whether 2 different dimensions of personality, when assessed at an implicit level with the Thematic Apperception Test (TAT; Murray, 1943 ) will show a theoretically meaningful coherence not demonstrated when 1 is assessed at an implicit level and the other at an explicit level. Gender identity and defense mechanisms were assessed implicitly using the TAT. Gender identity was compared with a self-report measure of gender-related attributes assessed at the explicit level. The results showed a theoretically meaningful coherence when different dispositions were assessed at the same level, but a lack of agreement when similar dispositions were assessed at different levels. The study is based on a secondary analysis of data from 2 previously published papers (Cramer, 1998 ; Cramer & Westergren, 1999 ).

Reflection of solar radiation by a cylindrical cloud

NASA Technical Reports Server (NTRS)

Smith, G. L.

1989-01-01

Potential applications of an analytic method for computing the solar radiation reflected by a cylindrical cloud are discussed, including studies of radiative transfer within finite clouds and evaluations of these effects on other clouds and on remote sensing problems involving finite clouds. The pattern of reflected sunlight from a cylindrical cloud as seen at a large distance has been considered and described by the bidirectional function method for finite cloud analysis, as previously studied theoretically for plane-parallel atmospheres by McKee and Cox (1974); Schmetz and Raschke (1981); and Stuhlmann et al. (1985). However, the lack of three-dimensional radiative transfer solutions for anisotropic scattering media have hampered theoretical investigations of bidirectional functions for finite clouds. The present approach permits expression of the directional variation of the radiation field as a spherical harmonic series to any desired degree and order.

Reaction mechanism of dimethyl ether carbonylation to methyl acetate over mordenite – a combined DFT/experimental study

DOE PAGES

Rasmussen, D. B.; Christensen, J. M.; Temel, B.; ...

2017-01-23

The reaction mechanism of dimethyl ether carbonylation to methyl acetate over mordenite was studied theoretically with periodic density functional theory calculations including dispersion forces and experimentally in a fixed bed flow reactor at pressures between 10 and 100 bar, dimethyl ether concentrations in CO between 0.2 and 2.0%, and at a temperature of 438 K. The theoretical study showed that the reaction of CO with surface methyl groups, the rate-limiting step, is faster in the eight-membered side pockets than in the twelve-membered main channel of the zeolite; the subsequent reaction of dimethyl ether with surface acetyl to form methyl acetatemore » was demonstrated to occur with low energy barriers in both the side pockets and in the main channel. Here, the present analysis has thus identified a path, where the entire reaction occurs favourably on a single site within the side pocket, in good agreement with previous experimental studies. The experimental study of the reaction kinetics was consistent with the theoretically derived mechanism and in addition revealed that the methyl acetate product inhibits the reaction – possibly by sterically hindering the attack of CO on the methyl groups in the side pockets.« less

Organized Out-of-School Activities and Peer Relationships: Theoretical Perspectives and Previous Research

ERIC Educational Resources Information Center

Fredricks, Jennifer A.; Simpkins, Sandra D.

2013-01-01

The goal of this volume is to show how organized activities provide an ideal setting for developing a deeper understanding of peer relations, as well as offering a context for a more positive study of peers. The chapters in this volume focus on youth 10 to 18 years of age. In this introductory chapter we first describe the reasons why organized…

Communicating/Muting Date Rape: A Co-Cultural Theoretical Analysis of Communication Factors Related to Rape Culture on a College Campus

ERIC Educational Resources Information Center

Burnett, Ann; Mattern, Jody L.; Herakova, Liliana L.; Kahl, David H., Jr.; Tobola, Cloy; Bornsen, Susan E.

2009-01-01

Previous studies suggest that college campuses foster a rape culture in which date rape (most commonly, rape of women) is an accepted part of campus activity (Buchwald, Fletcher, & Roth, 1993; Sanday, 2007). In focus groups at a Midwestern university, researchers asked students about rape as they experienced it or knew about it on campus. The…

Yip-08 Hypervelocity Boundary Layer Studies for Axisymmetric Engine Flowpaths

DTIC Science & Technology

2011-02-25

theoretical potential to achieve higher efficiencies than conventional two-dimensional geometries [1, 2]. The inward-turning or axisymmetric Busemann inlet...thermocouples involved epoxying the two electrodes together first, waiting for the epoxy to dry , and then soldering the wires to the electrodes. This...encountered previously and resulted in a much higher thermocouple survival rate. The form for holding the drying thermocouple had to be slightly

Technology as a Bypass for a Lack of Theoretical Knowledge

ERIC Educational Resources Information Center

Picard, Thierry Dana

2004-01-01

In a previous paper, we showed the importance of using low-level commands of a CAS in order to enhance the students' conceptual insight into mathematics. In this paper, we wish to emphasise a different use of a CAS, which makes possible the exploration of new topics, when the necessary theoretical results have still not been acquired, and avoids…

Theoretical Understanding the Relations of Melting-point Determination Methods from Gibbs Thermodynamic Surface and Applications on Melting Curves of Lower Mantle Minerals

NASA Astrophysics Data System (ADS)

Yin, K.; Belonoshko, A. B.; Zhou, H.; Lu, X.

2016-12-01

The melting temperatures of materials in the interior of the Earth has significant implications in many areas of geophysics. The direct calculations of the melting point by atomic simulations would face substantial hysteresis problem. To overcome the hysteresis encountered in the atomic simulations there are a few different melting-point determination methods available nowadays, which are founded independently, such as the free energy method, the two-phase or coexistence method, and the Z method, etc. In this study, we provide a theoretical understanding the relations of these methods from a geometrical perspective based on a quantitative construction of the volume-entropy-energy thermodynamic surface, a model first proposed by J. Willard Gibbs in 1873. Then combining with an experimental data and/or a previous melting-point determination method, we apply this model to derive the high-pressure melting curves for several lower mantle minerals with less computational efforts relative to using previous methods only. Through this way, some polyatomic minerals at extreme pressures which are almost unsolvable before are calculated fully from first principles now.

Theoretical study of the bonding of the first-row transition-metal positive ions to ethylene

NASA Technical Reports Server (NTRS)

Sodupe, M.; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

1992-01-01

Ab initio calculations were performed to study the bonding of the first-row transition-metal ions with ethylene. While Sc(+) and Ti(+) insert into the pi bond of ethylene to form a three-membered ring, the ions V(+) through Cu(+) form an electrostatic complex with ethylene. The binding energies are compared with those from experiment and with those of comparable calculations performed previously for the metal-acetylene ion systems.

Electronic structure and physicochemical properties of selected penicillins

NASA Astrophysics Data System (ADS)

Soriano-Correa, Catalina; Ruiz, Juan F. Sánchez; Raya, A.; Esquivel, Rodolfo O.

Traditionally, penicillins have been used as antibacterial agents due to their characteristics and widespread applications with few collateral effects, which have motivated several theoretical and experimental studies. Despite the latter, their mechanism of biological action has not been completely elucidated. We present a theoretical study at the Hartree-Fock and density functional theory (DFT) levels of theory of a selected group of penicillins such as the penicillin-G, amoxicillin, ampicillin, dicloxacillin, and carbenicillin molecules, to systematically determine the electron structure of full ?-lactam antibiotics. Our results allow us to analyze the electronic properties of the pharmacophore group, the aminoacyl side-chain, and the influence of the substituents (R and X) attached to the aminoacyl side-chain at 6? (in contrast with previous studies focused at the 3? substituents), and to corroborate the results of previous studies performed at the semiempirical level, solely on the ?-lactam ring of penicillins. Besides, several density descriptors are determined with the purpose of analyzing their link to the antibacterial activity of these penicillin compounds. Our results for the atomic charges (fitted to the electrostatic potential), the bond orders, and several global reactivity descriptors, such as the dipole moments, ionization potential, hardness, and the electrophilicity index, led us to characterize: the active sites, the effect of the electron-attracting substituent properties and their physicochemical features, which altogether, might be important to understand the biological activity of these type of molecules.

Review of the dynamic behaviour of sports balls during normal and oblique impacts

NASA Astrophysics Data System (ADS)

Haron, Muhammad Adli; Jailani, Azrol; Abdullah, Nik Ahmad Faris Nik; Ismail, Rafis Suizwan; Rahim, Shayfull Zamree Abd; Ghazali, Mohd Fathullah

2017-09-01

In this paper are review of impact experiment to study the dynamic behaviour of sports ball during oblique and normal impacts. In previous studies, the investigation was done on the dynamic behaviour of a sports ball during oblique and normal impacts from experimental, numerical, and theoretical viewpoints. The experimental results are analysed and compared with the theories, in order to understand the dynamics behaviours based on the phenomenological occurrence. Throughout the experimental studies previously, there are results of dynamics behaviours examined by many researchers such as the coefficient of restitution, tangential coefficient, local deformation, dynamic impact force, contact time, angle of impact (inbound and rebound), spin rate of the ball, ball stiffness and damping coefficient which dependable of the initial or impact velocity.

Dual origin of room temperature sub-terahertz photoresponse in graphene field effect transistors

NASA Astrophysics Data System (ADS)

Bandurin, D. A.; Gayduchenko, I.; Cao, Y.; Moskotin, M.; Principi, A.; Grigorieva, I. V.; Goltsman, G.; Fedorov, G.; Svintsov, D.

2018-04-01

Graphene is considered as a promising platform for detectors of high-frequency radiation up to the terahertz (THz) range due to its superior electron mobility. Previously, it has been shown that graphene field effect transistors (FETs) exhibit room temperature broadband photoresponse to incoming THz radiation, thanks to the thermoelectric and/or plasma wave rectification. Both effects exhibit similar functional dependences on the gate voltage, and therefore, it was difficult to disentangle these contributions in previous studies. In this letter, we report on combined experimental and theoretical studies of sub-THz response in graphene field-effect transistors analyzed at different temperatures. This temperature-dependent study allowed us to reveal the role of the photo-thermoelectric effect, p-n junction rectification, and plasmonic rectification in the sub-THz photoresponse of graphene FETs.

Having to fight.

PubMed

Crowther, Simon; Goodson, Christina; McGuire, James; Dickson, Joanne M

2013-01-01

Existing research that attempts to understand aggressive behavior often focuses on adults and/or individual traits. The present study used a Grounded Theory approach to develop a theoretical framework of how younger adolescents constructed an understanding of their own aggressive behavior within the social context of their lives. The participants were 11 adolescents (aged 12-16) who had previously been involved in incidents of aggression at a school for children with emotional and behavioral difficulties. The identified theoretical framework outlined that aggressive behavior was fundamental to an identity of toughness that participants sought to portray to others. This identity emerged in a hostile peer environment to prevent victimization and establish friendships. The findings are discussed in relation to their clinical implications, limitations, and possibilities for further research.

Shape and fission instabilities of ferrofluids in non-uniform magnetic fields

NASA Astrophysics Data System (ADS)

Vieu, Thibault; Walter, Clément

2018-04-01

We study static distributions of ferrofluid submitted to non-uniform magnetic fields. We show how the normal-field instability is modified in the presence of a weak magnetic field gradient. Then we consider a ferrofluid droplet and show how the gradient affects its shape. A rich phase transitions phenomenology is found. We also investigate the creation of droplets by successive splits when a magnet is vertically approached from below and derive theoretical expressions which are solved numerically to obtain the number of droplets and their aspect ratio as function of the field configuration. A quantitative comparison is performed with previous experimental results, as well as with our own experiments, and yields good agreement with the theoretical modeling.

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.

An experimental and theoretical core-level study of tautomerism in guanine.

PubMed

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

2009-08-20

The core level photoemission and near edge X-ray photoabsorption spectra of guanine in the gas phase have been measured and the results interpreted with the aid of high level ab initio calculations. Tautomers are clearly identified spectroscopically, and their relative free energies and Boltzmann populations at the temperature of the experiment (600 K) have been calculated and compared with the experimental results and with previous calculations. We obtain good agreement between experiment and the Boltzmann weighted theoretical photoemission spectra, which allows a quantitative determination of the ratio of oxo to hydroxy tautomer populations. For the photoabsorption spectra, good agreement is found for the C 1s and O 1s spectra but only fair agreement for the N 1s edge.

La producción de cráteres en el Sistema de Satélites de Saturno

NASA Astrophysics Data System (ADS)

Zanardi, M.; Di Sisto, R. P.

The saturnian satellite system has been observed by the Cassini-Huygens mission, in particular the impact craters on them. These satellites present a diversity of surfaces which could help us to understand about their history. To study the production of craters on these satellites, we develop a theoretical model from previous simulations and we obtain the contribution of Centaur objects to the production of craters. We calculate the number of craters for a given size and the greatest crater produced by Centaur objects. This allowed us to compare our theoretical results with the observations by the Cassini-Huygens and determine the origin of craters as well as constrain the size distribution of Centaurs. FULL TEXT IN SPANISH

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.

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.

Resonant transfer excitation in collisions of F6+ and Mg9+ with H2

NASA Astrophysics Data System (ADS)

Bernstein, E. M.; Kamal, A.; Zaharakis, K. E.; Clark, M. W.; Tanis, J. A.; Ferguson, S. M.; Badnell, N. R.

1991-10-01

Experimental and theoretical investigations of resonant transfer excitation (RTE) for F6++H2 and Mg9++H2 collisions have been made. For both collision systems good agreement is obtained between the measured cross sections for K-shell x-ray emission coincident with electron-capture and theoretical RTE calculations. For F6+ the present calculations are about 10% lower than previous results of Bhalla and Karim [Phys. Rev. A 39, 6060 (1989); 41, 4097(E) (1990]; the measured cross sections are a factor of 2.3 larger than earlier measurements of Schulz et al. [Phys. Rev. A 38, 5454 (1988)]. The previous disagreement between experiment and theory for F6+ is removed.

Correlated sequential tunneling through a double barrier for interacting one-dimensional electrons

NASA Astrophysics Data System (ADS)

Thorwart, M.; Egger, R.; Grifoni, M.

2005-07-01

The problem of resonant tunneling through a quantum dot weakly coupled to spinless Tomonaga-Luttinger liquids has been studied. We compute the linear conductance due to sequential tunneling processes upon employing a master equation approach. Besides the previously used lowest-order golden rule rates describing uncorrelated sequential tunneling processes, we systematically include higher-order correlated sequential tunneling (CST) diagrams within the standard Weisskopf-Wigner approximation. We provide estimates for the parameter regions where CST effects can be important. Focusing mainly on the temperature dependence of the peak conductance, we discuss the relation of these findings to previous theoretical and experimental results.

Tsallis q-triplet, intermittent turbulence and Portevin-Le Chatelier effect

NASA Astrophysics Data System (ADS)

Iliopoulos, A. C.; Aifantis, E. C.

2018-05-01

In this paper, we extend a previous study concerning Portevin-LeChatelier (PLC) effect and Tsallis statistics (Iliopoulos et al., 2015). In particular, we estimate Tsallis' q-triplet, namely {qstat, qsens, qrel} for two sets of stress serration time series concerning the deformation of Cu-15%Al alloy corresponding to different deformation temperatures and thus types (A and B) of PLC bands. The results concerning the stress serrations analysis reveal that Tsallis q- triplet attains values different from unity ({qstat, qsens, qrel} ≠ {1,1,1}). In particular, PLC type A bands' serrations were found to follow Tsallis super-q-Gaussian, non-extensive, sub-additive, multifractal statistics indicating that the underlying dynamics are at the edge of chaos, characterized by global long range correlations and power law scaling. For PLC type B bands' serrations, the results revealed a Tsallis sub-q-Gaussian, non-extensive, super-additive, multifractal statistical profile. In addition, our results reveal also significant differences in statistical and dynamical features, indicating important variations of the stress field dynamics in terms of rate of entropy production, relaxation dynamics and non-equilibrium meta-stable stationary states. We also estimate parameters commonly used for characterizing fully developed turbulence, such as structure functions and flatness coefficient (F), in order to provide further information about jerky flow underlying dynamics. Finally, we use two multifractal models developed to describe turbulence, namely Arimitsu and Arimitsu (A&A) [2000, 2001] theoretical model which is based on Tsallis statistics and p-model to estimate theoretical multifractal spectrums f(a). Furthermore, we estimate flatness coefficient (F) using a theoretical formula based on Tsallis statistics. The theoretical results are compared with the experimental ones showing a remarkable agreement between modeling and experiment. Finally, the results of this study verify, as well as, extend previous studies which stated that type B and type A PLC bands underlying dynamics are connected with distinct dynamical behavior, namely chaotic behavior for the first and self-organized critical (SOC) behavior for the latter, while they shed new light concerning the turbulent character of the PLC jerky flow.

Theoretical foundations for quantitative paleogenetics. III - The molecular divergence of nucleic acids and proteins for the case of genetic events of unequal probability

NASA Technical Reports Server (NTRS)

Holmquist, R.; Pearl, D.

1980-01-01

Theoretical equations are derived for molecular divergence with respect to gene and protein structure in the presence of genetic events with unequal probabilities: amino acid and base compositions, the frequencies of nucleotide replacements, the usage of degenerate codons, the distribution of fixed base replacements within codons and the distribution of fixed base replacements among codons. Results are presented in the form of tables relating the probabilities of given numbers of codon base changes with respect to the original codon for the alpha hemoglobin, beta hemoglobin, myoglobin, cytochrome c and parvalbumin group gene families. Application of the calculations to the rabbit alpha and beta hemoglobin mRNAs and proteins indicates that the genes are separated by about 425 fixed based replacements distributed over 114 codon sites, which is a factor of two greater than previous estimates. The theoretical results also suggest that many more base replacements are required to effect a given gene or protein structural change than previously believed.

Shot noise-limited Cramér-Rao bound and algorithmic sensitivity for wavelength shifting interferometry

NASA Astrophysics Data System (ADS)

Chen, Shichao; Zhu, Yizheng

2017-02-01

Sensitivity is a critical index to measure the temporal fluctuation of the retrieved optical pathlength in quantitative phase imaging system. However, an accurate and comprehensive analysis for sensitivity evaluation is still lacking in current literature. In particular, previous theoretical studies for fundamental sensitivity based on Gaussian noise models are not applicable to modern cameras and detectors, which are dominated by shot noise. In this paper, we derive two shot noiselimited theoretical sensitivities, Cramér-Rao bound and algorithmic sensitivity for wavelength shifting interferometry, which is a major category of on-axis interferometry techniques in quantitative phase imaging. Based on the derivations, we show that the shot noise-limited model permits accurate estimation of theoretical sensitivities directly from measured data. These results can provide important insights into fundamental constraints in system performance and can be used to guide system design and optimization. The same concepts can be generalized to other quantitative phase imaging techniques as well.

Theoretical and Experimental Photoelectron Spectroscopy Characterization of the Ground State of Thymine Cation.

PubMed

Majdi, Youssef; Hochlaf, Majdi; Pan, Yi; Lau, Kai-Chung; Poisson, Lionel; Garcia, Gustavo A; Nahon, Laurent; Al-Mogren, Muneerah Mogren; Schwell, Martin

2015-06-11

We report on the vibronic structure of the ground state X̃(2)A″ of the thymine cation, which has been measured using a threshold photoelectron photoion coincidence technique and vacuum ultraviolet synchrotron radiation. The threshold photoelectron spectrum, recorded over ∼0.7 eV above the ionization potential (i.e., covering the whole ground state of the cation) shows rich vibrational structure that has been assigned with the help of calculated anharmonic modes of the ground electronic cation state at the PBE0/aug-cc-pVDZ level of theory. The adiabatic ionization energy has been experimentally determined as AIE = 8.913 ± 0.005 eV, in very good agreement with previous high resolution results. The corresponding theoretical value of AIE = 8.917 eV has been calculated in this work with the explicitly correlated method/basis set (R)CCSD(T)-F12/cc-pVTZ-F12, which validates the theoretical approach and benchmarks its accuracy for future studies of medium-sized biological molecules.

Theoretical study of the properties of X-ray diffraction moiré fringes. I

PubMed Central

Yoshimura, Jun-ichi

2015-01-01

A detailed and comprehensive theoretical description of X-ray diffraction moiré fringes for a bicrystal specimen is given on the basis of a calculation by plane-wave dynamical diffraction theory. Firstly, prior to discussing the main subject of the paper, a previous article [Yoshimura (1997 ▸). Acta Cryst. A53, 810–812] on the two-dimensionality of diffraction moiré patterns is restated on a thorough calculation of the moiré interference phase. Then, the properties of moiré fringes derived from the above theory are explained for the case of a plane-wave diffraction image, where the significant effect of Pendellösung intensity oscillation on the moiré pattern when the crystal is strained is described in detail with theoretically simulated moiré images. Although such plane-wave moiré images are not widely observed in a nearly pure form, knowledge of their properties is essential for the understanding of diffraction moiré fringes in general. PMID:25970298

Theoretical study on the molecular structure and vibrational properties, NBO and HOMO-LUMO analysis of the POX3 (X = F, Cl, Br, I) series of molecules

NASA Astrophysics Data System (ADS)

Galván, Jorge E.; Gil, Diego M.; Lanús, Hernán E.; Altabef, Aida Ben

2015-02-01

The fourth member of the series of compounds of the type POX3 with X = I was synthesized and characterized by infrared spectroscopy. The geometrical parameters and vibrational properties of POX3 (X = F, Cl, Br, I) molecules were investigated theoretically by means DFT and ab initio methods. Available geometrical and vibrational data were used together with theoretical calculations in order to obtain a set of scaled force constants. The observed trends in geometrical parameters are analyzed and compared with those obtained in a previous work for the VOX3 (X = F, Cl, Br, I) series of compounds. NBO analysis was performed in order to know the hyper-conjugative interactions that favor one structure over another. The molecular properties such as ionization potential, electron affinity, electronegativity, chemical potential, chemical hardness, softness and global electrophilicity index have been deduced from HOMO-LUMO analysis.

A revised Self- and Family Management Framework.

PubMed

Grey, Margaret; Schulman-Green, Dena; Knafl, Kathleen; Reynolds, Nancy R

2015-01-01

Research on self- and family management of chronic conditions has advanced over the past 6 years, but the use of simple frameworks has hampered the understanding of the complexities involved. We sought to update our previously published model with new empirical, synthetic, and theoretical work. We used synthesis of previous studies to update the framework. We propose a revised framework that clarifies facilitators and barriers, processes, proximal outcomes, and distal outcomes of self- and family management and their relationships. We offer the revised framework as a model that can be used in studies aimed at advancing self- and family management science. The use of the framework to guide studies would allow for the design of studies that can address more clearly how self-management interventions work and under what conditions. Copyright © 2015 Elsevier Inc. All rights reserved.

Theoretical kinetics study of the F((2)P) + NH3 hydrogen abstraction reaction.

PubMed

Espinosa-Garcia, J; Fernandez-Ramos, A; Suleimanov, Y V; Corchado, J C

2014-01-23

The hydrogen abstraction reaction of fluorine with ammonia represents a true chemical challenge because it is very fast, is followed by secondary abstraction reactions, which are also extremely fast, and presents an experimental/theoretical controversy about rate coefficients. Using a previously developed full-dimensional analytical potential energy surface, we found that the F + NH3 → HF + NH2 system is a barrierless reaction with intermediate complexes in the entry and exit channels. In order to understand the reactivity of the title reaction, thermal rate coefficidents were calculated using two approaches: ring polymer molecular dynamics and quasi-classical trajectory calculations, and these were compared with available experimental data for the common temperature range 276-327 K. The theoretical results obtained show behavior practically independent of temperature, reproducing Walther-Wagner's experiment, but in contrast with Persky's more recent experiment. However, quantitatively, our results are 1 order of magnitude larger than those of Walther-Wagner and reasonably agree with the Persky at the lowest temperature, questioning so Walther-Wagner's older data. At present, the reason for this discrepancy is not clear, although we point out some possible reasons in the light of current theoretical calculations.

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.

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.

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.

Methods of feminist family therapy supervision.

PubMed

Prouty, A M; Thomas, V; Johnson, S; Long, J K

2001-01-01

Although feminist family therapy has been studied and practiced for more than 20 years, writing about feminist supervision in family therapy has been limited. Three supervision methods emerged from a qualitative study of the experiences of feminist family therapy supervisors and the therapists they supervised: The supervision contract, collaborative methods, and hierarchical methods. In addition to a description of the participants' experiences of these methods, we discuss their fit with previous theoretical descriptions of feminist supervision and offer suggestions for future research.

Intermetallic Precipitation in Low-Density Steel

NASA Astrophysics Data System (ADS)

Chatterjee, S.; Chatterjee, A.; Chakrabarti, D.

2018-06-01

Low-density steels (LDS) represent a relatively new class of material that contains a large concentration of aluminum. In the present work, we studied the effect of copper addition to these steels. Microanalysis and electron diffraction study were used to demonstrate that on the contrary to the theoretical expectation, copper formed a variety of intermetallic, instead of metallic, precipitates on reaction with aluminum. The precipitation led to a significant age-hardening response that imparted a special characteristic to this material, which had never been reported previously.

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.

A new theoretical model for transmembrane potential and ion currents induced in a spherical cell under low frequency electromagnetic field.

PubMed

Zheng, Yu; Gao, Yang; Chen, Ruijuan; Wang, Huiquan; Dong, Lei; Dou, Junrong

2016-10-01

Time-varying electromagnetic fields (EMF) can induce some physiological effects in neuronal tissues, which have been explored in many applications such as transcranial magnetic stimulation. Although transmembrane potentials and induced currents have already been the subjects of many theoretical studies, most previous works about this topic are mainly completed by utilizing Maxwell's equations, often by solving a Laplace equation. In previous studies, cells were often considered to be three-compartment models with different electroconductivities in different regions (three compartments are often intracellular regions, membrane, and extracellular regions). However, models like that did not take dynamic ion channels into consideration. Therefore, one cannot obtain concrete ionic current changes such as potassium current change or sodium current change by these models. The aim of the present work is to present a new and more detailed model for calculating transmembrane potentials and ionic currents induced by time-varying EMF. Equations used in the present paper originate from Nernst-Plank equations, which are ionic current-related equations. The main work is to calculate ionic current changes induced by EMF exposure, and then transmembrane potential changes are calculated with Hodgkin-Huxley model. Bioelectromagnetics. 37:481-492, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Regioselectivity of intermolecular Pauson-Khand reaction of aliphatic alkynes: experimental and theoretical study of the effect of alkyne polarization.

PubMed

Fager-Jokela, Erika; Muuronen, Mikko; Khaizourane, Héléa; Vázquez-Romero, Ana; Verdaguer, Xavier; Riera, Antoni; Helaja, Juho

2014-11-21

Generally judged poor electronic regioselectivity of alkyne insertion in intermolecular Pauson-Khand reaction (PKR) has severely restricted its synthetic applications. In our previous rational study concerning diarylalkynes (Fager-Jokela, E.; Muuronen, M.; Patzschke, M.; Helaja, J. J. Org. Chem. 2012, 77, 9134-9147), both experimental and theoretical results indicated that purely electronic factors, i.e., alkyne polarization via resonance effect, induced the observed modest regioselectivity. In the present work, we substantiate that the alkyne polarization via inductive effect can result notable, synthetically valuable regioselectivity. Computational study at DFT level was performed to disclose the electronic origin of the selectivity. Overall, the NBO charges of alkynes correlated qualitatively with regioisomer outcome. In a detailed computational PKR case study, the obtained Boltzmann distributions of the transition state (TS) populations correlate closely with experimental regioselectivity. Analysis of the TS-structures revealed that weak interactions, e.g., hydrogen bonding and steric repulsion, affect the regioselectivity and can easily override the electronic guidance.

Comparison of Theoretical Stresses and Deflections of Multicell Wings with Experimental Results Obtained from Plastic Models

NASA Technical Reports Server (NTRS)

Zender, George W

1956-01-01

The experimental deflections and stresses of six plastic multicell-wing models of unswept, delta, and swept plan form are presented and compared with previously published theoretical results obtained by the electrical analog method. The comparisons indicate that the theory is reliable except for the evaluation of stresses in the vicinity of the leading edge of delta wings and the leading and trailing edges of swept wings. The stresses in these regions are questionable, apparently because of simplifications employed in idealizing the actual structure for theoretical purposes and because of local effects of concentrated loads.

Modelling giant radio halos. Doctoral Thesis Award Lecture 2012

NASA Astrophysics Data System (ADS)

Donnert, J. M. F.

2013-06-01

We review models for giant radio halos in clusters of galaxies, with a focus on numerical and theoretical work. After summarising the most important observations of these objects, we present an introduction to the theoretical aspects of hadronic models. We compare these models with observations using simulations and find severe problems for hadronic models. We give a short introduction to reacceleration models and show results from the first simulation of CRe reacceleration in cluster mergers. We find that in-line with previous theoretical work, reacceleration models are able to elegantly explain main observables of giant radio halos.

Understanding ferromagnetic hysteresis: A theoretical approach

NASA Astrophysics Data System (ADS)

Gangopadhyay, Bijan Kumar

2018-05-01

This work presents a theoretical-mathematical model for the ferromagnetic hysteresis. Theoretical understanding on ferromagnetism can be achieved through addressing the self-interaction propensity between the magnetic dipole moments associated with the magnetic domains, in conjunction with the pinning effects of the dipoles with the defects in the domain sites. An expression which relates ferromagnetic magnetization to the effective magnetic field was established in our previous work (AIP Conference Proceedings 1665, 130042 (2015)). Using this relation and solving for the reversible and the irreversible components of the magnetization, we successfully show that the magnetic saturation and the magnetic remanence can be achieved theoretically. This work also estimates the range of the external field that can be used to trace a reversible M-H curve.

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.

Theory and social practice of agency in combining breastfeeding and employment: A qualitative study among health workers in New Delhi, India.

PubMed

Omer-Salim, Amal; Suri, Shobha; Dadhich, Jai Prakash; Faridi, Mohammad Moonis Akbar; Olsson, Pia

2014-12-01

Women's agency, or intentional actions, in combining breastfeeding and employment is significant for health and labour productivity. Previous research in India showed that mothers use various collaborative strategies to ensure a "good enough" combination of breastfeeding and employment. Bandura's theoretical agency constructs previously applied in various realms could facilitate the exploration of agency in an Indian context. To explore manifestations of agency in combining breastfeeding and employment amongst Indian health workers using Bandura's theoretical constructs of agency and women's experiences. Qualitative semi-structured interviews were conducted with ten women employees within the governmental health sector in New Delhi, India. Both deductive and inductive qualitative content analyses were used. Bandura's features and modes of agency revealed that intentionality is underpinned by knowledge, forethought means being prepared, self-reactiveness includes collaboration and that self-reflectiveness gives perspective. Women's interviews revealed four approaches to agency entitled: 'All within my stride or the knowledgeable navigator'; 'Much harder than expected, but ok overall'; This is a very lonely job'; and 'Out of my control'. Agency features and their elements are complex, dynamic and involve family members. Bandura's theoretical agency constructs are partially useful in this context, but additional social practice constructs of family structure and relationship quality are needed for better correspondence with women's experiences of agency. The variation in individual approaches to agency has implications for supportive health and workplace services. Copyright © 2014 Australian College of Midwives. Published by Elsevier Ltd. All rights reserved.

Phonation threshold pressure across the pitch range: preliminary test of a model.

PubMed

Solomon, Nancy Pearl; Ramanathan, Pradeep; Makashay, Matthew J

2007-09-01

This study sought to examine the specific relationship between phonation threshold pressure (PTP) and voice fundamental frequency (F(0)) across the pitch range. A published theoretical model of this relationship described a quadratic equation, with PTP increasing exponentially with F(0). Prospective data from eight adults with normal, untrained voices were collected. Subjects produced their quietest phonation at 10 randomly ordered pitches from 5% to 95% of their semitone pitch range at 10% intervals. Analysis included curve fitting for individual and group data, as well as comparisons to the previous model. The group data fit a quadratic function similar to that proposed previously, but the specific quadratic coefficient and constant values differed. Four of the individual subjects' data were best fit by quartic functions, two by quadratic functions, and one by a linear function. This preliminary study indicates that PTP may be minimal at a "comfortable" pitch rather than the lowest pitch tested, and that, for some individuals, PTP may be slightly elevated during the passaggio between modal and falsetto vocal registers. These data support the general form of the theoretical PTP-F(0) function for these speakers, and indicate the possibility of potential refinements to the model. Future studies with larger groups of male and female subjects across a wider age range may eventually reveal the specific nature of the function.

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.

The Influence of Individual Driver Characteristics on Congestion Formation

NASA Astrophysics Data System (ADS)

Wang, Lanjun; Zhang, Hao; Meng, Huadong; Wang, Xiqin

Previous works have pointed out that one of the reasons for the formation of traffic congestion is instability in traffic flow. In this study, we investigate theoretically how the characteristics of individual drivers influence the instability of traffic flow. The discussions are based on the optimal velocity model, which has three parameters related to individual driver characteristics. We specify the mappings between the model parameters and driver characteristics in this study. With linear stability analysis, we obtain a condition for when instability occurs and a constraint about how the model parameters influence the unstable traffic flow. Meanwhile, we also determine how the region of unstable flow densities depends on these parameters. Additionally, the Langevin approach theoretically validates that under the constraint, the macroscopic characteristics of the unstable traffic flow becomes a mixture of free flows and congestions. All of these results imply that both overly aggressive and overly conservative drivers are capable of triggering traffic congestion.

Ab initio treatment of ion-induced charge transfer dynamics of isolated 2-deoxy-D-ribose.

PubMed

Bacchus-Montabonel, Marie-Christine

2014-08-21

Modeling-induced radiation damage in biological systems, in particular, in DNA building blocks, is of major concern in cancer therapy studies. Ion-induced charge-transfer dynamics may indeed be involved in proton and hadrontherapy treatments. We have thus performed a theoretical approach of the charge-transfer dynamics in collision of C(4+) ions and protons with isolated 2-deoxy-D-ribose in a wide collision energy range by means of ab initio quantum chemistry molecular methods. The comparison of both projectile ions has been performed with regard to previous theoretical and experimental results. The charge transfer appears markedly less efficient with the 2-deoxy-D-ribose target than that with pyrimidine nucleobases, which would induce an enhancement of the fragmentation process in agreement with experimental measurements. The mechanism has been analyzed with regard to inner orbital excitations, and qualitative tendencies have been pointed out for studies on DNA buiding block damage.

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.

How the bimodal format of presentation affects working memory: an overview.

PubMed

Mastroberardino, Serena; Santangelo, Valerio; Botta, Fabiano; Marucci, Francesco S; Olivetti Belardinelli, Marta

2008-03-01

The best format in which information that has to be recalled is presented has been investigated in several studies, which focused on the impact of bimodal stimulation on working memory performance. An enhancement of participant's performance in terms of correct recall has been repeatedly found, when bimodal formats of presentation (i.e., audiovisual) were compared to unimodal formats (i.e, either visual or auditory), in providing implications for multimedial learning. Several theoretical frameworks have been suggested in order to account for the bimodal advantage, ranging from those emphasizing early stages of processing (such as automatic alerting effects or multisensory integration processes) to those centred on late stages of processing (as postulated by the dual coding theory). The aim of this paper is to review previous contributions to this topic, providing a comprehensive theoretical framework, which is updated by the latest empirical studies.

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

Comparing decision making between cancer patients and the general population: thoughts, emotions, or social influence?

PubMed

Yang, Z Janet; McComas, Katherine A; Gay, Geri K; Leonard, John P; Dannenberg, Andrew J; Dillon, Hildy

2012-01-01

This study extends a risk information seeking and processing model to explore the relative effect of cognitive processing strategies, positive and negative emotions, and normative beliefs on individuals' decision making about potential health risks. Most previous research based on this theoretical framework has examined environmental risks. Applying this risk communication model to study health decision making presents an opportunity to explore theoretical boundaries of the model, while also bringing this research to bear on a pressing medical issue: low enrollment in clinical trials. Comparative analysis of data gathered from 2 telephone surveys of a representative national sample (n = 500) and a random sample of cancer patients (n = 411) indicated that emotions played a more substantive role in cancer patients' decisions to enroll in a potential trial, whereas cognitive processing strategies and normative beliefs had greater influences on the decisions of respondents from the national sample.

Hope, social support, and depression among Hong Kong youth: personal and relational self-esteem as mediators.

PubMed

Du, Hongfei; King, Ronnel B; Chu, Samuel K W

2016-12-01

Previous studies have shown that depression is negatively associated with hope and social support. However, little research has been undertaken to investigate the theoretical mechanisms underlying the connections among hope, social support, and depression. This study examined how two types of self-esteem (personal and relational) would mediate the relationship of hope and social support to depression among 384 Hong Kong adolescents (age: 12-18 years; M = 14, SD = 1.19). Participants reported their levels of hope, social support, personal self-esteem, relational self-esteem, and depressive mood. Results of the path analysis showed that both personal and relational self-esteem mediated the associations of hope and social support with depression. Hope and social support were associated with higher levels of personal and relational self-esteem, which were in turn related to decreased levels of depression. Theoretical and practical implications are discussed.

Transport relaxation processes in supercritical fluids

NASA Astrophysics Data System (ADS)

Jonas, J.

The technique for solubility measurements of solids in compressed supercritical fluids using NMR and theoretical analysis of experimental data on collision induced scattering were examined. Initial tests for a determination of solid solubilities in supercritical fluids without mixing were previously described and these preparations have continued. Super critical carbon dioxide dissolving naphthalene, for which solubility data is already available (M. McHugh, M.E. Paulaitis, J. Chem. Eng. Data, Vol. 25 (4), 1980) is being studied. This initial testing of the NMR technique for measuring solubilities in a well characterized system should prove very valuable for our later determinations with the proposed mixing probe. Systematic experimental studies of collision induced spectra in several supercritical fluids using both Raman and Rayleigh scattering are continued. The experimental work on SF6 and CH4 was finished and the experimental data testing of the various theoretical models for collision induced scattering is being analyzed.

[Collective health, territorial and environmental conflicts: bases for a critical socio-environmental approach].

PubMed

Porto, Marcelo Firpo de Souza; da Rocha, Diogo Ferreira; Finamore, Renan

2014-10-01

The phenomenon of globalization and the increase in neo-extractivism in the global periphery intensify the search for new territories and natural resources for the economy, resulting in significant impacts on ecosystems and on the lives of vulnerable populations. It is considered that the environmental crisis imposes new challenges and requires an updating of the theoretical and methodological foundations of collective health and the social determinants of health. The scope of this paper is to present theoretical contributions to the construction of a critical socio-environmental approach from a review of the literature structured around previous work on the mapping of environmental conflicts, and conducting empirical studies in conflicting areas. The contributions of sociology, political ecology, postcolonial studies and geography is summarized for the discussion of the socio-environmental determinants of health, as well as experiences that integrate emancipatory knowledge, political subjects, resistances and alternatives for society.

Theoretical description of the mixed-field orientation of asymmetric-top molecules: A time-dependent study

NASA Astrophysics Data System (ADS)

Omiste, Juan J.; González-Férez, Rosario

2016-12-01

We present a theoretical study of the mixed-field-orientation of asymmetric-top molecules in tilted static electric field and nonresonant linearly polarized laser pulse by solving the time-dependent Schrödinger equation. Within this framework, we compute the mixed-field orientation of a state-selected molecular beam of benzonitrile (C7H5N ) and compare with the experimental observations [J. L. Hansen et al., Phys. Rev. A 83, 023406 (2011), 10.1103/PhysRevA.83.023406] and with our previous time-independent descriptions [J. J. Omiste et al., Phys. Chem. Chem. Phys. 13, 18815 (2011), 10.1039/c1cp21195a]. For an excited rotational state, we investigate the field-dressed dynamics for several field configurations as those used in the mixed-field experiments. The nonadiabatic phenomena and their consequences on the rotational dynamics are analyzed in detail.

A molecular dynamics study of slow base flipping in DNA using conformational flooding.

PubMed

Bouvier, Benjamin; Grubmüller, Helmut

2007-08-01

Individual DNA bases are known to be able to flip out of the helical stack, providing enzymes with access to the genetic information otherwise hidden inside the helix. Consequently, base flipping is a necessary first step to many more complex biological processes such as DNA transcription or replication. Much remains unknown about this elementary step, despite a wealth of experimental and theoretical studies. From the theoretical point of view, the involved timescale of milliseconds or longer requires the use of enhanced sampling techniques. In contrast to previous theoretical studies employing umbrella sampling along a predefined flipping coordinate, this study attempts to induce flipping without prior knowledge of the pathway, using information from a molecular dynamics simulation of a B-DNA fragment and the conformational flooding method. The relevance to base flipping of the principal components of the simulation is assayed, and a combination of modes optimally related to the flipping of the base through either helical groove is derived for each of the two bases of the central guanine-cytosine basepair. By applying an artificial flooding potential along these collective coordinates, the flipping mechanism is accelerated to within the scope of molecular dynamics simulations. The associated free energy surface is found to feature local minima corresponding to partially flipped states, particularly relevant to flipping in isolated DNA; further transitions from these minima to the fully flipped conformation are accelerated by additional flooding potentials. The associated free energy profiles feature similar barrier heights for both bases and pathways; the flipped state beyond is a broad and rugged attraction basin, only a few kcal/mol higher in energy than the closed conformation. This result diverges from previous works but echoes some aspects of recent experimental findings, justifying the need for novel approaches to this difficult problem: this contribution represents a first step in this direction. Important structural factors involved in flipping, both local (sugar-phosphate backbone dihedral angles) and global (helical axis bend), are also identified.

The design and testing of a caring teaching model based on the theoretical framework of caring in the Chinese Context: a mixed-method study.

PubMed

Guo, Yujie; Shen, Jie; Ye, Xuchun; Chen, Huali; Jiang, Anli

2013-08-01

This paper aims to report the design and test the effectiveness of an innovative caring teaching model based on the theoretical framework of caring in the Chinese context. Since the 1970's, caring has been a core value in nursing education. In a previous study, a theoretical framework of caring in the Chinese context is explored employing a grounded theory study, considered beneficial for caring education. A caring teaching model was designed theoretically and a one group pre- and post-test quasi-experimental study was administered to test its effectiveness. From Oct, 2009 to Jul, 2010, a cohort of grade-2 undergraduate nursing students (n=64) in a Chinese medical school was recruited to participate in the study. Data were gathered through quantitative and qualitative methods to evaluate the effectiveness of the caring teaching model. The caring teaching model created an esthetic situation and experiential learning style for teaching caring that was integrated within the curricula. Quantitative data from the quasi-experimental study showed that the post-test scores of each item were higher than those on the pre-test (p<0.01). Thematic analysis of 1220 narratives from students' caring journals and reports of participant class observation revealed two main thematic categories, which reflected, from the students' points of view, the development of student caring character and the impact that the caring teaching model had on this regard. The model could be used as an integrated approach to teach caring in nursing curricula. It would also be beneficial for nursing administrators in cultivating caring nurse practitioners. Copyright © 2012 Elsevier Ltd. All rights reserved.

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.

Quasi-stationary fluid theory of the hole-boring process

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

Pei, Zhikun; Shen, Baifei, E-mail: bfshen@mail.shcnc.ac.cn; Shi, Yin

We present a quasi-stationary fluid theory to precisely describe the hole-boring process. The corresponding distributions of the electrostatic field and the particle density are theoretically obtained, which give more details than the previous stationary theory. The theoretical result is confirmed by one-dimensional particle-in-cell simulations. Such quasi-stationary fluid theory may help in understanding the basic mechanisms of ion acceleration in the radiation pressure acceleration.

Theoretical extension and experimental demonstration of spectral compression in second-harmonic generation by Fresnel-inspired binary phase shaping

NASA Astrophysics Data System (ADS)

Li, Baihong; Dong, Ruifang; Zhou, Conghua; Xiang, Xiao; Li, Yongfang; Zhang, Shougang

2018-05-01

Selective two-photon microscopy and high-precision nonlinear spectroscopy rely on efficient spectral compression at the desired frequency. Previously, a Fresnel-inspired binary phase shaping (FIBPS) method was theoretically proposed for spectral compression of two-photon absorption and second-harmonic generation (SHG) with a square-chirped pulse. Here, we theoretically show that the FIBPS can introduce a negative quadratic frequency phase (negative chirp) by analogy with the spatial-domain phase function of Fresnel zone plate. Thus, the previous theoretical model can be extended to the case where the pulse can be transformed limited and in any symmetrical spectral shape. As an example, we experimentally demonstrate spectral compression in SHG by FIBPS for a Gaussian transform-limited pulse and show good agreement with the theory. Given the fundamental pulse bandwidth, a narrower SHG bandwidth with relatively high intensity can be obtained by simply increasing the number of binary phases. The experimental results also verify that our method is superior to that proposed in [Phys. Rev. A 46, 2749 (1992), 10.1103/PhysRevA.46.2749]. This method will significantly facilitate the applications of selective two-photon microscopy and spectroscopy. Moreover, as it can introduce negative dispersion, hence it can also be generalized to other applications in the field of dispersion compensation.

A Theoretical Study of 8-Chloro-9-Hydroxy-Aflatoxin B1, the Conversion Product of Aflatoxin B1 by Neutral Electrolyzed Water

PubMed Central

Escobedo-González, René; Méndez-Albores, Abraham; Villarreal-Barajas, Tania; Aceves-Hernández, Juan Manuel; Miranda-Ruvalcaba, René; Nicolás-Vázquez, Inés

2016-01-01

Theoretical studies of 8-chloro-9-hydroxy-aflatoxin B1 (2) were carried out by Density Functional Theory (DFT). This molecule is the reaction product of the treatment of aflatoxin B1 (1) with hypochlorous acid, from neutral electrolyzed water. Determination of the structural, electronic and spectroscopic properties of the reaction product allowed its theoretical characterization. In order to elucidate the formation process of 2, two reaction pathways were evaluated—the first one considering only ionic species (Cl+ and OH−) and the second one taking into account the entire hypochlorous acid molecule (HOCl). Both pathways were studied theoretically in gas and solution phases. In the first suggested pathway, the reaction involves the addition of chlorenium ion to 1 forming a non-classic carbocation assisted by anchimeric effect of the nearest aromatic system, and then a nucleophilic attack to the intermediate by the hydroxide ion. In the second studied pathway, as a first step, the attack of the double bond from the furanic moiety of 1 to the hypochlorous acid is considered, accomplishing the same non-classical carbocation, and again in the second step, a nucleophilic attack by the hydroxide ion. In order to validate both reaction pathways, the atomic charges, the highest occupied molecular orbital and the lowest unoccupied molecular orbital were obtained for both substrate and product. The corresponding data imply that the C9 atom is the more suitable site of the substrate to interact with the hydroxide ion. It was demonstrated by theoretical calculations that a vicinal and anti chlorohydrin is produced in the terminal furan ring. Data of the studied compound indicate an important reduction in the cytotoxic and genotoxic potential of the target molecule, as demonstrated previously by our research group using different in vitro assays. PMID:27455324

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.

On the complex relationship between energy expenditure and longevity: Reconciling the contradictory empirical results with a simple theoretical model.

PubMed

Hou, Chen; Amunugama, Kaushalya

2015-07-01

The relationship between energy expenditure and longevity has been a central theme in aging studies. Empirical studies have yielded controversial results, which cannot be reconciled by existing theories. In this paper, we present a simple theoretical model based on first principles of energy conservation and allometric scaling laws. The model takes into considerations the energy tradeoffs between life history traits and the efficiency of the energy utilization, and offers quantitative and qualitative explanations for a set of seemingly contradictory empirical results. We show that oxidative metabolism can affect cellular damage and longevity in different ways in animals with different life histories and under different experimental conditions. Qualitative data and the linearity between energy expenditure, cellular damage, and lifespan assumed in previous studies are not sufficient to understand the complexity of the relationships. Our model provides a theoretical framework for quantitative analyses and predictions. The model is supported by a variety of empirical studies, including studies on the cellular damage profile during ontogeny; the intra- and inter-specific correlations between body mass, metabolic rate, and lifespan; and the effects on lifespan of (1) diet restriction and genetic modification of growth hormone, (2) the cold and exercise stresses, and (3) manipulations of antioxidant. Copyright © 2015 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

Magneto-optical properties of semi-parabolic plus semi-inverse squared quantum wells

NASA Astrophysics Data System (ADS)

Tung, Luong V.; Vinh, Pham T.; Phuc, Huynh V.

2018-06-01

We theoretically study the optical absorption in a quantum well with the semi-parabolic potential plus the semi-inverse squared potential (SPSIS) in the presence of a static magnetic field in which both one- and two-photon absorption processes have been taken into account. The expression of the magneto-optical absorption coefficient (MOAC) is expressed by the second-order golden rule approximation including the electron-LO phonon interaction. We also use the profile method to obtain the full width at half maximum (FWHM) of the absorption peaks. Our numerical results show that either MOAC or FWHM strongly depends on the confinement frequency, temperature, and magnetic field but their dependence on the parameter β is very weak. The temperature dependence of FWHM is consistent with the previous theoretical and experimental works.

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

[Introduction to grounded theory].

PubMed

Wang, Shou-Yu; Windsor, Carol; Yates, Patsy

2012-02-01

Grounded theory, first developed by Glaser and Strauss in the 1960s, was introduced into nursing education as a distinct research methodology in the 1970s. The theory is grounded in a critique of the dominant contemporary approach to social inquiry, which imposed "enduring" theoretical propositions onto study data. Rather than starting from a set theoretical framework, grounded theory relies on researchers distinguishing meaningful constructs from generated data and then identifying an appropriate theory. Grounded theory is thus particularly useful in investigating complex issues and behaviours not previously addressed and concepts and relationships in particular populations or places that are still undeveloped or weakly connected. Grounded theory data analysis processes include open, axial and selective coding levels. The purpose of this article was to explore the grounded theory research process and provide an initial understanding of this methodology.

[Pierre Bourdieu and health: a sociological analysis of Actes de la Recherche en Sciences Sociales].

PubMed

Montagner, Miguel Angelo

2008-07-01

This study aimed to highlight, illustrate, describe, and comment on the presence of the health category in the work of Pierre Bourdieu, by underlining the themes traditionally related to the sociology of the body. After a systematic analysis of his work in the sociology of medicine and health, the article also addresses the main vehicle for his line of thought, namely Actes de la Recherche en Sciences Sociales, viewed here as the prime channel for most of the research taking Bourdieu's "genetic structuralism" as the main theoretical reference. We analyze the articles published from 1975 to 2001, from the thematic and theoretical/conceptual perspective, by comparing the changes appearing in this journal in opposition to the model previously adopted by the Revue Française de Sociologie.

Evolutionary Topology of a Currency Network in Asia

NASA Astrophysics Data System (ADS)

Feng, Xiaobing; Wang, Xiaofan

Although recently there are extensive research on currency network using minimum spanning trees approach, the knowledge about the actual evolution of a currency web in Asia is still limited. In the paper, we study the structural evolution of an Asian network using daily exchange rate data. It was found that the correlation between Asian currencies and US Dollar, the previous regional key currency has become weaker and the intra-Asia interactions have increased. This becomes more salient after the exchange rate reform of China. Different from the previous studies, we further reveal that it is the trade volume, national wealth gap and countries growth cycle that has contributed to the evolutionary topology of the minimum spanning tree. These findings provide a valuable platform for theoretical modeling and further analysis.

Efficiency of the strong satisfiability checking procedure for reactive system specifications

NASA Astrophysics Data System (ADS)

Shimakawa, Masaya; Hagihara, Shigeki; Yonezaki, Naoki

2018-04-01

Reactive systems are those that interact with their environment. To develop reactive systems without defects, it is important to describe behavior specifications in a formal language, such as linear temporal logic, and to verify the specification. Specifically, it is important to check whether specifications satisfy the property called realizability. In previous studies, we have proposed the concept of strong satisfiability as a necessary condition for realizability. Although this property of reactive system specifications is a necessary condition, many practical unrealizable specifications are also strongly unsatisfiable. Moreover, we have previously shown the theoretical complexity of the strong satisfiability problem. In the current study, we investigate the practical efficiency of the strong satisfiability checking procedure and demonstrate that strong satisfiability can be checked more efficiently than realizability.

A synthesis, X-ray crystallographic and vibrational studies of guanidinium o-nitrobenzoate hydrate. New NLO crystal in guanidinium nitrobenzoate family

NASA Astrophysics Data System (ADS)

Drozd, Marek; Daszkiewicz, Marek

2018-06-01

According to literature data the two crystals are known: guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate. Both compounds belong to noncetrosymmetric crystallographic systems are consider as second order generators in nonlinear optic (NLO). For each of these crystals the detailed crystallographic, theoretical calculations and vibrational studies were performed. It is interesting that nitrobenzoic acid create tree variety of compounds ((2) ortho-, (3) meta- and (4) para-) what any data for third member of guanidinium nitrobenzoate crystal were not known. The guanidinium o-nitrobenzoate hydrate crystal was synthesized first time. The performed X-ray crystallographic study shown that crystal belongs to space group without macroscopic symmetry center. Additionally, the vibrational spectra (intensities, frequencies and PED analysis) of investigated compound are presented. These results are compared with theoretical calculations for equilibrium geometry and vibrational properties. Furthermore, the results of the theoretical approach include HOMO and LUMO energies and first order hyperpolarizability were obtained, also. On the basis of these data the crystal was classified as second order generator. All obtained results are compared with previous literature data of guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate compounds. Surprisingly, each of examined crystal belongs to different crystallographic system and shows different vibrational properties.

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.

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.

Relationship between negative differential thermal resistance and asymmetry segment size

NASA Astrophysics Data System (ADS)

Kong, Peng; Hu, Tao; Hu, Ke; Jiang, Zhenhua; Tang, Yi

2018-03-01

Negative differential thermal resistance (NDTR) was investigated in a system consisting of two dissimilar anharmonic lattices exemplified by Frenkel-Kontorova (FK) lattices and Fremi-Pasta-Ulam (FPU) lattices (FK-FPU). The previous theoretical and numerical simulations show the dependence of NDTR are the coupling constant, interface and system size, but we find the segment size also to be an important element. It’s interesting that NDTR region depends on FK segment size rather than FPU segment size in this coupling FK-FPU model. Remarkably, we could observe that NDTR appears in the strong interface coupling strength case which is not NDTR in previous studies. The results are conducive to further developments in designing and fabricating thermal devices.

Extending the the behavioral immune system to political psychology: are political conservatism and disgust sensitivity really related?

PubMed

Tybur, Joshua M; Merriman, Leslie A; Hooper, Ann E Caldwell; McDonald, Melissa M; Navarrete, Carlos David

2010-10-26

Previous research suggests that several individual and cultural level attitudes, cognitions, and societal structures may have evolved to mitigate the pathogen threats posed by intergroup interactions. It has been suggested that these anti-pathogen defenses are at the root of conservative political ideology. Here, we test a hypothesis that political conservatism functions as a pathogen-avoidance strategy. Across three studies, we consistently find no relationship between sensitivity to pathogen disgust and multiple measures of political conservatism. These results are contrasted with theoretical perspectives suggesting a relationship between conservatism and pathogen avoidance, and with previous findings of a relationship between conservatism and disgust sensitivity.

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.

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

Collaboration: A critical exploration of the care continuum.

PubMed

Penny, Robyn A; Windsor, Carol

2017-04-01

The purpose of this research was to explore the concept of collaboration within a specific healthcare context and to include the perspectives of healthcare users, a position largely lacking in previous studies. In applying a critical theoretical approach, the focus was on, as an exemplar, mothers with newborn babies who had spent more than 48 hr in a special care nursery. Semistructured interviews were undertaken with child health nurses, midwives and mothers. The three key theoretical findings on collaboration generated in the study point to layers of meanings around identity, knowledge and institutions of care. Findings from the interview data analysis were further examined through the lens of key policy documents. The research outcomes indicate that the concept of collaboration serves an important function in healthcare in obscuring the complexities and ambiguities that characterise the care continuum. The study concludes the need for a more critical approach to the assumptions that underlie the language of collaboration and the implications for practice in healthcare. © 2016 John Wiley & Sons Ltd.

Theoretical Study on Sers of Wagging Vibrations of Benzyl Radical Adsorbed on Silver Electrodes

NASA Astrophysics Data System (ADS)

Wu, De-Yin; Chen, Yan-Li; Tian, Zhong-Qun

2016-06-01

Electrochemical surface-enhanced Raman spectroscopy (EC-SERS) has been used to characterize adsorbed species widely but reaction intermediates rarely on electrodes. In previous studies, the observed SERS signals were proposed from surface benzyl species due to the electrochemical reduction of benzyl chloride on silver electrode surfaces. In this work, we reinvestigated the vibrational assignments of benzyl chloride and benzyl radical as the reaction intermediate. On the basis of density functional theoretical (DFT) calculations and normal mode analysis, our systematical results provide more reasonable new assignments for both surface species. Further, we investigated adsorption configurations, binding energies, and vibrational frequency shifts of benzyl radical interacting with silver. Our calculated results show that the wagging vibration displays significant vibrational frequency shift, strong coupling with some intramolecular modes in the phenyl ring, and significant changes in intensity of Raman signals. The study also provides absolute Raman intensity in benzyl halides and discuss the enhancement effect mainly due to the binding interaction with respect to free benzyl radical.

Characterization of electronic structure and physicochemical properties of antiparasitic nifurtimox analogues: A theoretical study

NASA Astrophysics Data System (ADS)

Soriano-Correa, Catalina; Raya, A.; Esquivel, Rodolfo O.

American trypanosomiasis, also known as Chagas' disease, is caused by Trypanosoma cruzi (T. cruzi). It is well known that trypanosomes, and particularly T. cruzi, are highly sensitive towards oxidative stress, i.e., to compounds than are able to produce free radicals. Generally, nifurtimox (NFX) and benznidazol are most effective in the acute phase of the disease; therefore, nitroheterocycles constitute good models to design other nitrocompounds with specific biological characteristics. Thus, we have performed an ab initio study at the Hartree-Fock and Density Functional Theory levels of theory of several NFX analogues recently synthesized, to characterize them by obtaining their electronic, structural, and physicochemical properties, which might be linked to the observed antichagasic activity. The antitrypanosomal activity scale previously reported for the NFX analogues studied in this work is in good agreement with our theoretical results, from which we can conclude that the activity seems to be related to the reactivity along with the acidity observed for the most active molecules.

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.

Extension of the quasistatic far-wing line shape theory to multicomponent anisotropic potentials

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.

1994-01-01

The formalism developed previously for the calculation of the far-wing line shape function and the corresponding absorption coefficient using a single-component anisotropic interaction term and the binary collision and quasistatic approximations is generalized to multicomponent anisotropic potential functions. Explicit expressions are presented for several common cases, including the long-range dipole-dipole plus dipole-quadrupole interaction and a linear molecule interacting with a perturber atom. After determining the multicomponent functional representation for the interaction between the CO2 and Ar from previously published data, we calculate the theoretical line shape function and the corresponding absorption due to the nu(sub 3) band of CO2 in the frequency range 2400-2580 cm(exp -1) and compare our results with previous calculations carried out using a single-component anisotropic interaction, and with the results obtained assuming Lorentzian line shapes. The principal uncertainties in the present results, possible refinements of the theoretical formalism, and the applicability to other systems are discussed briefly.

Biology is more theoretical than physics.

PubMed

Gunawardena, Jeremy

2013-06-01

The word "theory" is used in at least two senses--to denote a body of widely accepted laws or principles, as in "Darwinian theory" or "quantum theory," and to suggest a speculative hypothesis, often relying on mathematical analysis, that has not been experimentally confirmed. It is often said that there is no place for the second kind of theory in biology and that biology is not theoretical but based on interpretation of data. Here, ideas from a previous essay are expanded upon to suggest, to the contrary, that the second kind of theory has always played a critical role and that biology, therefore, is a good deal more theoretical than physics.

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.

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.

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.

Potential determinants of health-care professionals' use of survivorship care plans: a qualitative study using the theoretical domains framework.

PubMed

Birken, Sarah A; Presseau, Justin; Ellis, Shellie D; Gerstel, Adrian A; Mayer, Deborah K

2014-11-15

Survivorship care plans are intended to improve coordination of care for the nearly 14 million cancer survivors in the United States. Evidence suggests that survivorship care plans (SCPs) have positive outcomes for survivors, health-care professionals, and cancer programs, and several high-profile organizations now recommend SCP use. Nevertheless, SCP use remains limited among health-care professionals in United States cancer programs. Knowledge of barriers to SCP use is limited in part because extant studies have used anecdotal evidence to identify determinants. This study uses the theoretical domains framework to identify relevant constructs that are potential determinants of SCP use among United States health-care professionals. We conducted semi-structured interviews to assess the relevance of 12 theoretical domains in predicting SCP use among 13 health-care professionals in 7 cancer programs throughout the United States with diverse characteristics. Relevant theoretical domains were identified through thematic coding of interview transcripts, identification of specific beliefs within coded text units, and mapping of specific beliefs onto theoretical constructs. We found the following theoretical domains (based on specific beliefs) to be potential determinants of SCP use: health-care professionals' beliefs about the consequences of SCP use (benefit to survivors, health-care professionals, and the system as a whole); motivation and goals regarding SCP use (advocating SCP use; extent to which using SCPs competed for health-care professionals' time); environmental context and resources (whether SCPs were delivered at a dedicated visit and whether a system, information technology, and funding facilitated SCP use); and social influences (whether using SCPs is an organizational priority, influential people support SCP use, and people who could assist with SCP use buy into using SCPs). Specific beliefs mapped onto the following psychological constructs: outcome expectancies, intrinsic motivation, goal priority, resources, leadership, and team working. Previous studies have explored a limited range of determinants of SCP use. Our findings suggest a more comprehensive list of potential determinants that could be leveraged to promote SCP use. These results are particularly timely as cancer programs face impending SCP use requirements. Future work should develop instruments to measure the potential determinants and assess their relative influence on SCP use.

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).

A general framework for characterizing studies of brain interface technology.

PubMed

Mason, S G; Jackson, M M Moore; Birch, G E

2005-11-01

The development of brain interface (BI) technology continues to attract researchers with a wide range of backgrounds and expertise. Though the BI community is committed to accurate and objective evaluation of methods, systems, and technology, the very diversity of the methods and terminology used in the field hinders understanding and impairs technology cross-fertilization and cross-group validation of findings. Underlying this dilemma is a lack of common perspective and language. As seen in our previous works in this area, our approach to remedy this problem is to propose language in the form of taxonomy and functional models. Our intent is to document and validate our best thinking in this area and publish a perspective that will stimulate discussion. We encourage others to do the same with the belief that focused discussion on language issues will accelerate the inherently slow natural evolution of language selection and thus alleviate related problems. In this work, we propose a theoretical framework for describing BI-technology-related studies. The proposed framework is based on the theoretical concepts and terminology from classical science, assistive technology development, human-computer interaction, and previous BI-related works. Using a representative set of studies from the literature, the proposed BI study framework was shown to be complete and appropriate perspective for thoroughly characterizing a BI study. We have also demonstrated that this BI study framework is useful for (1) objectively reviewing existing BI study designs and results, (2) comparing designs and results of multiple BI studies, (3) designing new studies or objectively reporting BI study results, and (4) facilitating intra- and inter-group communication and the education of new researchers. As such, it forms a sound and appropriate basis for community discussion.

A reassessment of state-level covariates of militia groups.

PubMed

Freilich, Joshua D; Pridemore, William Alex

2005-01-01

This study investigated state-level variation in the number of right-wing militia groups. We built on prior quantitative examinations by more carefully operationalizing theoretical concepts and testing alternative hypotheses offered to account for the etiology of social movements generally and of militias specifically. Using negative binomial regression, we found that, consistent with previous research, states with higher levels of farm job loss had more militia groups. However, in contrast to prior studies, we did not find gun culture, hospitable political climate, female empowerment, or general economic deprivation to be associated with the number of militia groups. We also found no relationship between the number of militia groups and levels of fundamentalist religious culture and minority empowerment. Our study was the first to test the effects of social disorganization on the number of militias in a state, and we found the two to be positively and significantly associated. We situate our results in the theoretical and empirical literature and outline two challenges for future research. First, scholars must operationalize variables carefully since different measures of the same theoretical concept may result in diverging conclusions. Second, since one major factor (i.e., social disorganization) found in this study to be associated with the number of militia groups in a state was examined here for the first time, it is important for researchers to continue to investigate new hypotheses.

A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3+ → H3+ + H2 Reaction.

PubMed

Suleimanov, Yury V; Aguado, Alfredo; Gómez-Carrasco, Susana; Roncero, Octavio

2018-05-03

Because of its fundamental importance in astrochemistry, the H 2 + H 3 + → H 3 + + H 2 reaction has been studied experimentally in a wide temperature range. Theoretical studies of the title reaction significantly lag primarily because of the challenges associated with the proper treatment of the zero-point energy (ZPE). As a result, all previous theoretical estimates for the ratio between a direct proton-hop and indirect exchange (via the H 5 + complex) channels deviate from the experiment, in particular, at lower temperatures where the quantum effects dominate. In this work, the ring polymer molecular dynamics (RPMD) method is applied to study this reaction, providing very good agreement with the experiment. RPMD is immune to the shortcomings associated with the ZPE leakage and is able to describe the transition from direct to indirect mechanisms below room temperature. We argue that RPMD represents a useful tool for further studies of numerous ZPE-sensitive chemical reactions that are of high interest in astrochemistry.

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.

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.

A Systematic Review of Financial Incentives for Dietary Behavior Change

PubMed Central

Purnell, Jason Q.; Gernes, Rebecca; Stein, Rick; Sherraden, Margaret S.; Knoblock-Hahn, Amy

2014-01-01

In light of the obesity epidemic, there is growing interest in the use of financial incentives for dietary behavior change. Previous reviews of the literature have focused on randomized, controlled trials and found mixed results. The purpose of this systematic review is to update and expand upon previous reviews by considering a broader range of study designs, including RCTs, quasi-experimental, observational, and simulation studies testing the use of financial incentives to change dietary behavior and to inform both dietetic practice and research. The review was guided by theoretical consideration of the type of incentive used based upon the principles of operant conditioning. There was further examination of whether studies were carried out with an institutional focus and whether incentives took the form of assets or savings. Studies published between 2006 and 2012 were selected for review, and data were extracted regarding study population, intervention design, outcome measures, study duration and follow-up, and key findings. Twelve studies meeting selection criteria were reviewed, with eleven finding a positive association between incentives and dietary behavior change in the short-term. All studies pointed to more specific information on the type, timing, and magnitude of incentives needed to motivate individuals to change behavior, the types of incentives and disincentives most likely to affect the behavior of various socioeconomic groups, and promising approaches for potential policy and practice innovations. Limitations of studies are noted, including the lack of theoretical guidance in the selection of incentive structures and the absence of basic experimental data. Future research should consider these factors even as policymakers and practitioners continue to experiment with this potentially useful approach to addressing obesity. PMID:24836967

A systematic review of financial incentives for dietary behavior change.

PubMed

Purnell, Jason Q; Gernes, Rebecca; Stein, Rick; Sherraden, Margaret S; Knoblock-Hahn, Amy

2014-07-01

In light of the obesity epidemic, there is growing interest in the use of financial incentives for dietary behavior change. Previous reviews of the literature have focused on randomized controlled trials and found mixed results. The purpose of this systematic review is to update and expand on previous reviews by considering a broader range of study designs, including randomized controlled trials, quasi-experimental, observational, and simulation studies testing the use of financial incentives to change dietary behavior and to inform both dietetic practice and research. The review was guided by theoretical consideration of the type of incentive used based on the principles of operant conditioning. There was further examination of whether studies were carried out with an institutional focus. Studies published between 2006 and 2012 were selected for review, and data were extracted regarding study population, intervention design, outcome measures, study duration and follow-up, and key findings. Twelve studies meeting selection criteria were reviewed, with 11 finding a positive association between incentives and dietary behavior change in the short term. All studies pointed to more specific information on the type, timing, and magnitude of incentives needed to motivate individuals to change behavior, the types of incentives and disincentives most likely to affect the behavior of various socioeconomic groups, and promising approaches for potential policy and practice innovations. Limitations of the studies are noted, including the lack of theoretical guidance in the selection of incentive structures and the absence of basic experimental data. Future research should consider these factors, even as policy makers and practitioners continue to experiment with this potentially useful approach to addressing obesity. Copyright © 2014 Academy of Nutrition and Dietetics. Published by Elsevier Inc. All rights reserved.

Too Many Sad Stories: Clinician Stress and Coping

PubMed Central

Marriage, Samantha; Marriage, Keith

2005-01-01

Introduction Mental health clinicians make their careers working with patients and families who have experienced extremes of stress and trauma. Methods The psychological effects on the caregiver of prolonged therapeutic work with traumatized patients have previously been studied within the theoretical frameworks of Burnout, Secondary Post Traumatic Stress and Vicarious Traumatization. Results We report a qualitative study of experienced clinicians’ responses to the stressors inherent in such therapeutic work, and the coping strategies they developed. Conclusion We found that some degree of vicarious traumatization was the main result of engaging in such work. PMID:19030525

High-speed holocinematographic velocimeter for studying turbulent flow control physics

NASA Technical Reports Server (NTRS)

Weinstein, L. M.; Beeler, G. B.; Lindemann, A. M.

1985-01-01

Use of a dual view, high speed, holographic movie technique is examined for studying turbulent flow control physics. This approach, which eliminates some of the limitations of previous holographic techniques, is termed a holocinematographic velocimeter (HCV). The data from this system can be used to check theoretical turbulence modeling and numerical simulations, visualize and measure coherent structures in 'non-simple' turbulent flows, and examine the mechanisms operative in various turbulent control/drag reduction concepts. This system shows promise for giving the most complete experimental characterization of turbulent flows yet available.

Chaotic itinerancy in the oscillator neural network without Lyapunov functions.

PubMed

Uchiyama, Satoki; Fujisaka, Hirokazu

2004-09-01

Chaotic itinerancy (CI), which is defined as an incessant spontaneous switching phenomenon among attractor ruins in deterministic dynamical systems without Lyapunov functions, is numerically studied in the case of an oscillator neural network model. The model is the pseudoinverse-matrix version of the previous model [S. Uchiyama and H. Fujisaka, Phys. Rev. E 65, 061912 (2002)] that was studied theoretically with the aid of statistical neurodynamics. It is found that CI in neural nets can be understood as the intermittent dynamics of weakly destabilized chaotic retrieval solutions. Copyright 2004 American Institute of Physics

Modeling the process of interaction of 10 keV electrons with a plane dielectric surface

NASA Astrophysics Data System (ADS)

Vokhmyanina, Kristina; Sotnikova, Valentina; Sotnikov, Alexey; Kaplii, Anna; Nikulicheva, Tatyana; Kubankin, Alexandr; Kishin, Ivan

2018-05-01

The effect of guiding of charged particles by dielectric channels is of noticeable interest at the present time. The phenomenon is widely studied experimentally and theoretically but some points still need to be clarified. A previously developed model of interaction of fast electrons with dielectric surface at grazing incidence is used to study the independence of electron deflection on the value of electron beam current. The calculations were performed assuming a smooth dependence of the surface conductivity on the beam current in the 40-3000 nA range.

Theoretical investigation of the role of clay edges in prebiotic peptide bond formation. II - Structures and thermodynamics of the activated complex species

NASA Technical Reports Server (NTRS)

Collins, Jack R.; Loew, Gilda H.; Luke, Brian T.; White, David H.

1988-01-01

Molecular orbital calculations are used to study amino acid activation by anhydride formation in neutral phosphates and in tetrahedral silicate and aluminate sites on clay edges. The results agree with previous ab initio studies of Luke et al. (1984) on the reactant species. Relative heats of formation of the anhydrides indicate the extent of anhydride formation to be the greatest for Al and the least for phosphate, which is the same order as the stability of hydrolysis.

Experimental and theoretical oscillator strengths of Mg I for accurate abundance analysis

NASA Astrophysics Data System (ADS)

Pehlivan Rhodin, A.; Hartman, H.; Nilsson, H.; Jönsson, P.

2017-02-01

Context. With the aid of stellar abundance analysis, it is possible to study the galactic formation and evolution. Magnesium is an important element to trace the α-element evolution in our Galaxy. For chemical abundance analysis, such as magnesium abundance, accurate and complete atomic data are essential. Inaccurate atomic data lead to uncertain abundances and prevent discrimination between different evolution models. Aims: We study the spectrum of neutral magnesium from laboratory measurements and theoretical calculations. Our aim is to improve the oscillator strengths (f-values) of Mg I lines and to create a complete set of accurate atomic data, particularly for the near-IR region. Methods: We derived oscillator strengths by combining the experimental branching fractions with radiative lifetimes reported in the literature and computed in this work. A hollow cathode discharge lamp was used to produce free atoms in the plasma and a Fourier transform spectrometer recorded the intensity-calibrated high-resolution spectra. In addition, we performed theoretical calculations using the multiconfiguration Hartree-Fock program ATSP2K. Results: This project provides a set of experimental and theoretical oscillator strengths. We derived 34 experimental oscillator strengths. Except from the Mg I optical triplet lines (3p 3P°0,1,2-4s 3S1), these oscillator strengths are measured for the first time. The theoretical oscillator strengths are in very good agreement with the experimental data and complement the missing transitions of the experimental data up to n = 7 from even and odd parity terms. We present an evaluated set of oscillator strengths, gf, with uncertainties as small as 5%. The new values of the Mg I optical triplet line (3p 3P°0,1,2-4s 3S1) oscillator strength values are 0.08 dex larger than the previous measurements.

Theoretical Loss and Gambling Intensity (Revisited): A Response to Braverman et al. (2013).

PubMed

Auer, Michael; Griffiths, Mark D

2015-09-01

In this paper, we provide a brief response to Braverman et al. (J Gambl Stud. doi: 10.1007/s10899-013-9428-z , 2013b) critique of our 'Theoretical Loss' metric as a measure of monetary gambling intensity (Auer and Griffiths in J Gambl Stud. doi: 10.1007/s10899-013-9376-7 , 2013a; Auer et al. in Gaming Law Rev Econ 16:269-273, 2012). We argue that 'gambling intensity' and 'gambling involvement' are essentially the same construct as descriptors of monetary gambling activity. Additionally, we acknowledge that playing duration (i.e., the amount of time—as opposed to money—actually spent gambling) is clearly another important indicator of gambling involvement-something that we have consistently noted in our previous studies including our empirical studies on gambling using behavioural tracking data. Braverman and colleagues claim that the concept of Theoretical Loss is nullified when statistical analysis focuses solely on one game type as the house edge is constant across all games. In fact, they state, the correlation between total amount wagered and Theoretical Loss is perfect. Unfortunately, this is incorrect. To disprove the claim made, we demonstrate that in sports betting (i.e., a single game type), the amount wagered does not reflect monetary gambling involvement using actual payout percentage data (based on 52,500 independent bets provided to us by an online European bookmaker). After reviewing the arguments presented by Braverman and colleagues, we are still of the view that when it comes to purely monetary measures of 'gambling intensity', the Theoretical Loss metric is a more robust and accurate measure than other financial proxy measures such as 'amount wagered' (i.e., bet size) as a measure of what players are prepared to financially risk while gambling.

Theoretical model of gravitational perturbation of current collector axisymmetric flow field

NASA Astrophysics Data System (ADS)

Walker, John S.; Brown, Samuel H.; Sondergaard, Neal A.

1989-03-01

Some designs of liquid metal collectors in homopolar motors and generators are essentially rotating liquid metal fluids in cylindrical channels with free surfaces and will, at critical rotational speeds, become unstable. The role of gravity in modifying this ejection instability is investigated. Some gravitational effects can be theoretically treated by perturbation techniques on the axisymmetric base flow of the liquid metal. This leads to a modification of previously calculated critical current collector ejection values neglecting gravity effects. The derivation of the mathematical model which determines the perturbation of the liquid metal base flow due to gravitational effects is documented. Since gravity is a small force compared with the centrifugal effects, the base flow solutions can be expanded in inverse powers of the Froude number and modified liquid flow profiles can be determined as a function of the azimuthal angle. This model will be used in later work to theoretically study the effects of gravity on the ejection point of the current collector. A rederivation of the hydrodynamic instability threshold of a liquid metal current collector is presented.

Theoretical and methodological issues with testing the SCCT and RIASEC models: Comment on Lent, Sheu, and Brown (2010) and Lubinski (2010).

PubMed

Armstrong, Patrick Ian; Vogel, David L

2010-04-01

The current article replies to comments made by Lent, Sheu, and Brown (2010) and Lubinski (2010) regarding the study "Interpreting the Interest-Efficacy Association From a RIASEC Perspective" (Armstrong & Vogel, 2009). The comments made by Lent et al. and Lubinski highlight a number of important theoretical and methodological issues, including the process of defining and differentiating between constructs, the assumptions underlying Holland's (1959, 1997) RIASEC (Realistic, Investigative, Artistic, Social, Enterprising, and Conventional types) model and interrelations among constructs specified in social cognitive career theory (SCCT), the importance of incremental validity for evaluating constructs, and methodological considerations when quantifying interest-efficacy correlations and for comparing models using multivariate statistical methods. On the basis of these comments and previous research on the SCCT and Holland models, we highlight the importance of considering multiple theoretical perspectives in vocational research and practice. Alternative structural models are outlined for examining the role of interests, self-efficacy, learning experiences, outcome expectations, personality, and cognitive abilities in the career choice and development process. PsycINFO Database Record (c) 2010 APA, all rights reserved.

Theoretical model of gravitational perturbation of current collector axisymmetric flow field

NASA Astrophysics Data System (ADS)

Walker, John S.; Brown, Samuel H.; Sondergaard, Neal A.

1990-05-01

Some designs of liquid-metal current collectors in homopolar motors and generators are essentially rotating liquid-metal fluids in cylindrical channels with free surfaces and will, at critical rotational speeds, become unstable. An investigation at David Taylor Research Center is being performed to understand the role of gravity in modifying this ejection instability. Some gravitational effects can be theoretically treated by perturbation techniques on the axisymmetric base flow of the liquid metal. This leads to a modification of previously calculated critical-current-collector ejection values neglecting gravity effects. The purpose of this paper is to document the derivation of the mathematical model which determines the perturbation of the liquid-metal base flow due to gravitational effects. Since gravity is a small force compared with the centrifugal effects, the base flow solutions can be expanded in inverse powers of the Froude number and modified liquid-flow profiles can be determined as a function of the azimuthal angle. This model will be used in later work to theoretically study the effects of gravity on the ejection point of the current collector.

Theoretical Model for Cellular Shapes Driven by Protrusive and Adhesive Forces

PubMed Central

Kabaso, Doron; Shlomovitz, Roie; Schloen, Kathrin; Stradal, Theresia; Gov, Nir S.

2011-01-01

The forces that arise from the actin cytoskeleton play a crucial role in determining the cell shape. These include protrusive forces due to actin polymerization and adhesion to the external matrix. We present here a theoretical model for the cellular shapes resulting from the feedback between the membrane shape and the forces acting on the membrane, mediated by curvature-sensitive membrane complexes of a convex shape. In previous theoretical studies we have investigated the regimes of linear instability where spontaneous formation of cellular protrusions is initiated. Here we calculate the evolution of a two dimensional cell contour beyond the linear regime and determine the final steady-state shapes arising within the model. We find that shapes driven by adhesion or by actin polymerization (lamellipodia) have very different morphologies, as observed in cells. Furthermore, we find that as the strength of the protrusive forces diminish, the system approaches a stabilization of a periodic pattern of protrusions. This result can provide an explanation for a number of puzzling experimental observations regarding cellular shape dependence on the properties of the extra-cellular matrix. PMID:21573201

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.

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.

Elastic Cherenkov effects in transversely isotropic soft materials-I: Theoretical analysis, simulations and inverse method

NASA Astrophysics Data System (ADS)

Li, Guo-Yang; Zheng, Yang; Liu, Yanlin; Destrade, Michel; Cao, Yanping

2016-11-01

A body force concentrated at a point and moving at a high speed can induce shear-wave Mach cones in dusty-plasma crystals or soft materials, as observed experimentally and named the elastic Cherenkov effect (ECE). The ECE in soft materials forms the basis of the supersonic shear imaging (SSI) technique, an ultrasound-based dynamic elastography method applied in clinics in recent years. Previous studies on the ECE in soft materials have focused on isotropic material models. In this paper, we investigate the existence and key features of the ECE in anisotropic soft media, by using both theoretical analysis and finite element (FE) simulations, and we apply the results to the non-invasive and non-destructive characterization of biological soft tissues. We also theoretically study the characteristics of the shear waves induced in a deformed hyperelastic anisotropic soft material by a source moving with high speed, considering that contact between the ultrasound probe and the soft tissue may lead to finite deformation. On the basis of our theoretical analysis and numerical simulations, we propose an inverse approach to infer both the anisotropic and hyperelastic parameters of incompressible transversely isotropic (TI) soft materials. Finally, we investigate the properties of the solutions to the inverse problem by deriving the condition numbers in analytical form and performing numerical experiments. In Part II of the paper, both ex vivo and in vivo experiments are conducted to demonstrate the applicability of the inverse method in practical use.

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

A theoretical and flight test study of pressure fluctuations under a turbulent boundary layer. Part 2: Flight test study

NASA Technical Reports Server (NTRS)

Panton, R. L.; Lowery, R. L.; Reischman, M. M.

1967-01-01

The study of pressure fluctuations under a turbulent boundary layer was undertaken with the objective of extending previous work to lower frequencies. Wind tunnel and flight test measurements are invalid at low frequencies because of extraneous acoustic noises and free stream turbulence. A glider was instrumented and used as a test bed to carry microphones into a smooth flow free of acoustic noise. Hodgson had previously measured the spectrum of boundary layer noise on a glider wing. These tests showed a drop off at low frequencies that could not be reproduced in any other facility. The measurements were made on the forward fuselage of a glider where the boundary layer could develop naturally and have some length in a zero pressure gradient before the measurements were made. Two different sets of measurements were made.

Experimental Investigation into the Radar Anomalies on the Surface of Venus

NASA Technical Reports Server (NTRS)

Kohler, E.; Gavin, P.; Chevrier, V.; Johnson, Natasha M.

2012-01-01

Radar mapping of thc surface of Venus shows areas of high reflectivity (low emissivity) in the Venusian highlands at altitudes between 2.5-4.75 kilometers. The origin of the radar anomalies found in the Venusian highlands remains unclear. Most explanations of the potential causes for these radar anomalies come from theoretical work. Previous studies suggest increased surface roughness or materials with higher dielectric constants as well as surface atmospheric interactions. Several possible candidates of high-dielectric materials are tellurium) ferroelectric materials, and lead or bismuth sulfides. While previous studies have been influential in determining possible sources for the Venus anomalies, only a very few hypotheses have been verified via experimentation. This work intends to experimentally constrain the source of the radar anomalies on Venus. This study proposes to investigate four possible materials that could potentially cause the high reflectivities on the surface of Venus and tests their behavior under simulated Venusian conditions.

Analysis of coiled stator ultrasound motor: Fundamental study on analysis of wave propagation on acoustic waveguide for coiled stator

NASA Astrophysics Data System (ADS)

Ozeki, Seiya; Kurita, Keisuke; Uehara, Choyu; Nakane, Noriaki; Sato, Toshio; Takeuchi, Shinichi

2018-07-01

In our research group, we previously developed a coiled stator ultrasound motor (CS-USM) for medical applications such as intravascular ultrasound (IVUS) devices. However, wave propagation on acoustic waveguides has not been investigated sufficiently in previous studies. In this study, we analyze the propagation velocity of elastic waves from the simulated the vibration displacement mode profile along a straight line acoustic waveguide via three-dimensional finite element method (FEM). Concerning results, elastic waves with vibration displacement along the thickness direction show dispersion characteristics corresponding to the a0 and a1 mode plate waves (Lamb waves) in the acoustic waveguide. Our theoretical hypotheses of the propagation velocities were closely borne out by experimental results. We further find that the dispersion characteristic is affected by the width of the acoustic waveguide. We believe that our findings can contribute to improved CS-USM designs for practical application.

[Optimization of the parameters of microcirculatory structural adaptation model based on improved quantum-behaved particle swarm optimization algorithm].

PubMed

Pan, Qing; Yao, Jialiang; Wang, Ruofan; Cao, Ping; Ning, Gangmin; Fang, Luping

2017-08-01

The vessels in the microcirculation keep adjusting their structure to meet the functional requirements of the different tissues. A previously developed theoretical model can reproduce the process of vascular structural adaptation to help the study of the microcirculatory physiology. However, until now, such model lacks the appropriate methods for its parameter settings with subsequent limitation of further applications. This study proposed an improved quantum-behaved particle swarm optimization (QPSO) algorithm for setting the parameter values in this model. The optimization was performed on a real mesenteric microvascular network of rat. The results showed that the improved QPSO was superior to the standard particle swarm optimization, the standard QPSO and the previously reported Downhill algorithm. We conclude that the improved QPSO leads to a better agreement between mathematical simulation and animal experiment, rendering the model more reliable in future physiological studies.

A three-model comparison of the relationship between quality, satisfaction and loyalty: an empirical study of the Chinese healthcare system

PubMed Central

2012-01-01

Background Previous research has addressed the relationship between customer satisfaction, perceived quality and customer loyalty intentions in consumer markets. In this study, we test and compare three theoretical models of the quality–satisfaction–loyalty relationship in the Chinese healthcare system. Methods This research focuses on hospital patients as participants in the process of healthcare procurement. Empirical data were obtained from six Chinese public hospitals in Shanghai. A total of 630 questionnaires were collected in two studies. Study 1 tested the research instruments, and Study 2 tested the three models. Confirmatory factor analysis was used to assess the scales’ construct validity by testing convergent and discriminant validity. A structural equation model (SEM) specified the distinctions between each construct. A comparison of the three theoretical models was conducted via AMOS analysis. Results The results of the SEM demonstrate that quality and satisfaction are distinct concepts and that the first model (satisfaction mediates quality and loyalty) is the most appropriate one in the context of the Chinese healthcare environment. Conclusions In this study, we test and compare three theoretical models of the quality–satisfaction–loyalty relationship in the Chinese healthcare system. Findings show that perceived quality improvement does not lead directly to customer loyalty. The strategy of using quality improvement to maintain patient loyalty depends on the level of patient satisfaction. This implies that the measurement of patient experiences should include topics of importance for patients’ satisfaction with health care services. PMID:23198824

A three-model comparison of the relationship between quality, satisfaction and loyalty: an empirical study of the Chinese healthcare system.

PubMed

Lei, Ping; Jolibert, Alain

2012-11-30

Previous research has addressed the relationship between customer satisfaction, perceived quality and customer loyalty intentions in consumer markets. In this study, we test and compare three theoretical models of the quality-satisfaction-loyalty relationship in the Chinese healthcare system. This research focuses on hospital patients as participants in the process of healthcare procurement. Empirical data were obtained from six Chinese public hospitals in Shanghai. A total of 630 questionnaires were collected in two studies. Study 1 tested the research instruments, and Study 2 tested the three models. Confirmatory factor analysis was used to assess the scales' construct validity by testing convergent and discriminant validity. A structural equation model (SEM) specified the distinctions between each construct. A comparison of the three theoretical models was conducted via AMOS analysis. The results of the SEM demonstrate that quality and satisfaction are distinct concepts and that the first model (satisfaction mediates quality and loyalty) is the most appropriate one in the context of the Chinese healthcare environment. In this study, we test and compare three theoretical models of the quality-satisfaction-loyalty relationship in the Chinese healthcare system. Findings show that perceived quality improvement does not lead directly to customer loyalty. The strategy of using quality improvement to maintain patient loyalty depends on the level of patient satisfaction. This implies that the measurement of patient experiences should include topics of importance for patients' satisfaction with health care services.

A theoretical analysis of the free vibrations of ring- and/or stringer-stiffened elliptical cylinders with arbitrary end conditions. Volume 1: Analytical derivation and applications

NASA Technical Reports Server (NTRS)

Boyd, D. E.; Rao, C. K. P.

1973-01-01

The derivation and application of a Rayleigh-Ritz modal vibration analysis are presented for ring and/or stringer stiffened noncircular cylindrical shells with arbitrary end conditions. Comparisons with previous results from experimental and analytical studies showed this method of analysis to be accurate for a variety of end conditions. Results indicate a greater effect of rings on natural frequencies than of stringers.

The Schwinger Variational Method

NASA Technical Reports Server (NTRS)

Huo, Winifred M.

1995-01-01

Variational methods have proven invaluable in theoretical physics and chemistry, both for bound state problems and for the study of collision phenomena. For collisional problems they can be grouped into two types: those based on the Schroedinger equation and those based on the Lippmann-Schwinger equation. The application of the Schwinger variational (SV) method to e-molecule collisions and photoionization has been reviewed previously. The present chapter discusses the implementation of the SV method as applied to e-molecule collisions.

Detection of tumorigenesis in urinary bladder with optical coherence tomography: optical characterization of morphological changes

NASA Astrophysics Data System (ADS)

Xie, T.-Q.; Zeidel, M. L.; Pan, Yingtian

2002-12-01

Most transitional cell tumorigenesis involves three stages of subcellular morphological changes: hyperplasia, dysplasia and neoplasia. Previous studies demonstrated that owing to its high spatial resolution and intermediate penetration depth, current OCT technology including endoscopic OCT could delineate the urothelium, submucosa and the upper muscular layers of the bladder wall. In this paper, we will discuss the sensitivity and limitations of OCT in diagnosing and staging bladder cancer. Based on histomorphometric evaluations of nuclear morphology, we modeled the resultant backscattering changes and the characteristic changes in OCT image contrast. In the theoretical modeling, we assumed that nuclei were the primary sources of scattering and were uniformly distributed in the uroepithelium, and compared with the results of the corresponding prior OCT measurements. According to our theoretical modeling, normal bladder shows a thin, uniform and low scattering urothelium, so does an inflammatory lesion except thickening in the submucosa. Compared with a normal bladder, a hyperplastic lesion exhibits a thickened, low scattering urothelium whereas a neoplastic lesion shows a thickened urothelium with increased backscattering. These results support our previous animal study that OCT has the potential to differentiate inflammation, hyperplasia, and neoplasia by quantifying the changes in urothelial thickening and backscattering. The results also suggest that OCT might not have the sensitivity to differentiate the subtle morphological changes between hyperplasia and dysplasia based on minor backscattering differences.

Detection of tumorigenesis in urinary bladder with optical coherence tomography: optical characterization of morphological changes.

PubMed

Xie, T; Zeidel, M; Pan, Yingtian

2002-12-02

Most transitional cell tumorigenesis involves three stages of subcellular morphological changes: hyperplasia, dysplasia and neoplasia. Previous studies demonstrated that owing to its high spatial resolution and intermediate penetration depth, current OCT technology including endoscopic OCT could delineate the urothelium, submucosa and the upper muscular layers of the bladder wall. In this paper, we will discuss the sensitivity and limitations of OCT in diagnosing and staging bladder cancer. Based on histomorphometric evaluations of nuclear morphology, we modeled the resultant backscattering changes and the characteristic changes in OCT image contrast. In the theoretical modeling, we assumed that nuclei were the primary sources of scattering and were uniformly distributed in the uroepithelium, and compared with the results of the corresponding prior OCT measurements. According to our theoretical modeling, normal bladder shows a thin, uniform and low scattering urothelium, so does an inflammatory lesion except thickening in the submucosa. Compared with a normal bladder, a hyperplastic lesion exhibits a thickened, low scattering urothelium whereas a neoplastic lesion shows a thickened urothelium with increased backscattering. These results support our previous animal study that OCT has the potential to differentiate inflammation, hyperplasia, and neoplasia by quantifying the changes in urothelial thickening and backscattering. The results also suggest that OCT might not have the sensitivity to differentiate the subtle morphological changes between hyperplasia and dysplasia based on minor backscattering differences.

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

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.

Reaction time, inhibition, working memory and ‘delay aversion’ performance: genetic influences and their interpretation

PubMed Central

KUNTSI, JONNA; ROGERS, HANNAH; SWINARD, GREER; BÖRGER, NORBERT; van der MEERE, JAAP; RIJSDIJK, FRUHLING; ASHERSON, PHILIP

2013-01-01

Background For candidate endophenotypes to be useful for psychiatric genetic research, they first of all need to show significant genetic influences. To address the relative lack of previous data, we set to investigate the extent of genetic and environmental influences on performance in a set of theoretically driven cognitive-experimental tasks in a large twin sample. We further aimed to illustrate how test–retest reliability of the measures affects the estimates. Method Four-hundred 7- to 9-year-old twin pairs were assessed individually on tasks measuring reaction time, inhibition, working memory and ‘delay aversion’ performance. Test–retest reliability data on some of the key measures were available from a previous study. Results Several key measures of reaction time, inhibition and working-memory performance indicated a moderate degree of genetic influence. Combining data across theoretically related tasks increased the heritability estimates, as illustrated by the heritability estimates of 60% for mean reaction time and 50% for reaction-time variability. Psychometric properties (reliability or ceiling effects) had a substantial influence on the estimates for some measures. Conclusions The data support the usefulness of several of the variables for endophenotype studies that aim to link genes to cognitive and motivational processes. Importantly, the data also illustrate specific conditions under which the true extent of genetic influences may be underestimated and hence the usefulness for genetic mapping studies compromised, and suggest ways to address this. PMID:16882357

Neural correlates of exposure to subliminal and supraliminal sexual cues

PubMed Central

Canterberry, Melanie

2012-01-01

Sexual arousal is thought to be the result of two levels of processing: conscious and unconscious. Whereas some research exists on the neural correlates related with conscious exposure to sexual stimuli, there are no parallel data regarding unconscious or subliminal exposure to such stimuli. In the present study, we therefore compared brain activation of 39 participants (20 women) as they were exposed to supraliminal vs subliminal sexual stimuli. Supraliminal exposure was associated with greater activation in areas that were previously associated with sexual arousal (e.g. caudate nucleus and thalamus) as well as areas that were previously associated with control (e.g. orbitofrontal cortex and cingulate cortex). In contrast, subliminal exposure was mainly related to activation in areas previously associated with sexual arousal. Men and women exhibited theoretically meaningful differences in patterns of activation associated with supra- and subliminal exposure. Findings are discussed with regard to sexual arousal and regulatory processes. PMID:22006991

Neural correlates of exposure to subliminal and supraliminal sexual cues.

PubMed

Gillath, Omri; Canterberry, Melanie

2012-11-01

Sexual arousal is thought to be the result of two levels of processing: conscious and unconscious. Whereas some research exists on the neural correlates related with conscious exposure to sexual stimuli, there are no parallel data regarding unconscious or subliminal exposure to such stimuli. In the present study, we therefore compared brain activation of 39 participants (20 women) as they were exposed to supraliminal vs subliminal sexual stimuli. Supraliminal exposure was associated with greater activation in areas that were previously associated with sexual arousal (e.g. caudate nucleus and thalamus) as well as areas that were previously associated with control (e.g. orbitofrontal cortex and cingulate cortex). In contrast, subliminal exposure was mainly related to activation in areas previously associated with sexual arousal. Men and women exhibited theoretically meaningful differences in patterns of activation associated with supra- and subliminal exposure. Findings are discussed with regard to sexual arousal and regulatory processes.

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.

Finite grid radius and thickness effects on retarding potential analyzer measured suprathermal electron density and temperature

NASA Technical Reports Server (NTRS)

Knudsen, William C.

1992-01-01

The effect of finite grid radius and thickness on the electron current measured by planar retarding potential analyzers (RPAs) is analyzed numerically. Depending on the plasma environment, the current is significantly reduced below that which is calculated using a theoretical equation derived for an idealized RPA having grids with infinite radius and vanishingly small thickness. A correction factor to the idealized theoretical equation is derived for the Pioneer Venus (PV) orbiter RPA (ORPA) for electron gasses consisting of one or more components obeying Maxwell statistics. The error in density and temperature of Maxwellian electron distributions previously derived from ORPA data using the theoretical expression for the idealized ORPA is evaluated by comparing the densities and temperatures derived from a sample of PV ORPA data using the theoretical expression with and without the correction factor.

Effect of an angular trajectory kick in a high-gain free-electron laser

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

Baxevanis, Panagiotis; Huang, Zhirong; Stupakov, Gennady

In a free-electron laser, a transverse momentum offset (or “kick”) results in an oscillation of the centroid of the electron beam about the undulator axis. Studying the influence of this effect on the free-electron laser (FEL) interaction is important both from a tolerance point of view and for its potential diagnostic applications. In this paper, we present a self-consistent theoretical analysis of a high-gain FEL driven by such a “kicked” beam. In particular, we derive a solution to the three-dimensional, linearized initial value problem of the FEL through an orthogonal expansion technique and also describe a variational method for calculatingmore » the average FEL growth rate. Lastly, our results are benchmarked with genesis simulations and provide a robust theoretical background for a comparison with previous analytical results.« less

Effect of an angular trajectory kick in a high-gain free-electron laser

DOE PAGES

Baxevanis, Panagiotis; Huang, Zhirong; Stupakov, Gennady

2017-04-18

In a free-electron laser, a transverse momentum offset (or “kick”) results in an oscillation of the centroid of the electron beam about the undulator axis. Studying the influence of this effect on the free-electron laser (FEL) interaction is important both from a tolerance point of view and for its potential diagnostic applications. In this paper, we present a self-consistent theoretical analysis of a high-gain FEL driven by such a “kicked” beam. In particular, we derive a solution to the three-dimensional, linearized initial value problem of the FEL through an orthogonal expansion technique and also describe a variational method for calculatingmore » the average FEL growth rate. Lastly, our results are benchmarked with genesis simulations and provide a robust theoretical background for a comparison with previous analytical results.« less

Experimental Investigation of Wind-Tunnel Interference on the Downwash Behind an Airfoil

NASA Technical Reports Server (NTRS)

Silverstein, Abe; Katzoff, S

1937-01-01

The interference of the wind-tunnel boundaries on the downwash behind an airfoil has been experimentally investigated and the results have been compared with the available theoretical results for open-throat wind tunnels. As in previous studies, the simplified theoretical treatment that assumes the test section to be an infinite free jet has been shown to be satisfactory at the lifting line. The experimental results, however, show that this assumption may lead to erroneous conclusions regarding the corrections to be applied to the downwash in the region behind the airfoil where the tail surfaces are normally located. The results of a theory based on the more accurate concept of the open-jet wind tunnel as a finite length of free jet provided with a closed exit passage are in good qualitative agreement with the experimental results.

Additive erosion reduction influences in the turbulent boundary layer

NASA Astrophysics Data System (ADS)

Buckingham, A. C.

1981-05-01

Results of a sequence of flow, heat and mass transfer calculations are presented which theoretically characterize the erosive environment at the wall surface of refractory metal coated and uncoated gun barrels. The theoretical results include analysis of the wall surface temperature, heat flux, and shear stress time histories on thin (10 mil.) Cr, Mo, Nb, and Ta plated steel barrel walls as uncoated steel walls. The calculations combine effects of a number of separate processes which were previously (and purposely) studied individually. These include solid particle additive concentrations, gas wall thermochemical influences, and transient turbulent wall boundary layer flow with multicomponent molecular diffusion and reactions from interaction of propellant combustion and the eroding surface. The boundary layer model includes particulate additive concentrations as well as propellant combustion products, considered for the present to be in the local thermochemical equilibrium.

The white dwarf mass-radius relation with Gaia, Hubble and FUSE

NASA Astrophysics Data System (ADS)

Joyce, Simon R. G.; Barstow, Martin A.; Casewell, Sarah L.; Holberg, Jay B.; Bond, Howard E.

2018-04-01

White dwarfs are becoming useful tools for many areas of astronomy. They can be used as accurate chronometers over Gyr timescales. They are also clues to the history of star formation in our galaxy. Many of these studies require accurate estimates of the mass of the white dwarf. The theoretical mass-radius relation is often invoked to provide these mass estimates. While the theoretical mass-radius relation is well developed, observational tests of this relation show a much larger scatter in the results than expected. High precision observational tests to confirm this relation are required. Gaia is providing distance measurements which will remove one of the main source of uncertainty affecting most previous observations. We combine Gaia distances with spectra from the Hubble and FUSE satelites to make precise tests of the white dwarf mass-radius relation.

Breastfeeding is positively associated with child intelligence even net of parental IQ.

PubMed

Kanazawa, Satoshi

2015-12-01

Some previous reviews conclude that breastfeeding is not significantly associated with increased intelligence in children once mother's IQ is statistically controlled. The conclusion may potentially have both theoretical and methodological problems. The National Child Development Study allows the examination of the effect of breastfeeding on intelligence in two consecutive generations of British children. The analysis of the first generation shows that the effect of breastfeeding on intelligence increases from Age 7 to 16. The analysis of the second generation shows that each month of breastfeeding, net of parental IQ and other potential confounds, is associated with an increase of .16 IQ points. Further analyses suggest that some previous studies may have failed to uncover the effect of breastfeeding on child intelligence because of their reliance on one IQ test. (c) 2015 APA, all rights reserved).

Ignition and combustion characteristics of metallized propellants

NASA Technical Reports Server (NTRS)

Mueller, D. C.; Turns, Stephen R.

1991-01-01

Over the past six months, experimental investigations were continued and theoretical work on the secondary atomization process was begun. Final shakedown of the sizing/velocity measuring system was completed and the aluminum combustion detection system was modified and tested. Atomizer operation was improved to allow steady state operation over long periods of time for several slurries. To validate the theoretical modeling, work involving carbon slurry atomization and combustion was begun and qualitative observations were made. Simultaneous measurements of aluminum slurry droplet size distributions and detection of burning aluminum particles were performed at several axial locations above the burner. The principle theoretical effort was the application of a rigid shell formation model to aluminum slurries and an investigation of the effects of various parameters on the shell formation process. This shell formation model was extended to include the process leading up to droplet disruption, and previously developed analytical models were applied to yield theoretical aluminum agglomerate ignition and combustion times. The several theoretical times were compared with the experimental results.

Magnetism in S = 1 / 2 Double Perovskites with Strong Spin-Orbit Interactions

NASA Astrophysics Data System (ADS)

Ishizuka, Hiroaki; Balents, Leon

2015-03-01

Motivated by recent studies on heavy-element double-perovskite (DP) compounds, we theoretically studied spin models on a FCC lattice with anisotropic interactions. In these systems, competition/cooperation of spin, orbital, and the lattice degrees of freedoms in the presence of the strong-spin orbit coupling is of particular interest. In a previous theoretical study, the magnetic phase diagrams of DP compounds with 5d1 electron configuration was studied using a model with four-fold degenerated single-ion state. On the other hand, a recent experiment on a DP material, Ba2Na2OsO6, reported that the compound is likely to be an effective S = 1 / 2 magnet. Inspired by the experimental observation, we considered spin models with symmetry-allowed anisotropic nearest-neighbor interactions. By a combination of various analytical and numerical techniques, we present the magnetic phase diagram of the model and the effect of thermal and quantum fluctuations. In particular, we show that fluctuations induce < 110 > anisotropy of magnetic moments. We also discuss a possible ``nematic'' phase driven by spin-phonon couplings.

Nurses as 'guests'--a study of a concept in light of Jacques Derrida's philosophy of hospitality.

PubMed

Oresland, Stina; Lutzén, Kim; Norberg, Astrid; Rasmussen, Birgit H; Määttä, Sylvia

2013-04-01

As revealed in previous empirical research, nurses describe their position in home-based nursing care (HBNC) as that of 'guests' in the patient's home. Such a description is problematic as 'guests' might not be considered to belong to the realm of professionalism. As Jacques Derrida's work on hospitality has received wide publicity, sparking theoretical and philosophical discussion about host and guest, the aim of this study was to explore how the concept 'guests' can be understood in the light of Derrida's philosophy of hospitality. The study revealed that (a) guest must be considered a binary concept; and (b) hospitality should be regarded as an exchange of giving and receiving between a host and a guest. The present study demonstrated that it is important to reflect on the meaning of the concepts used by nurses in HBNC. Further theoretical and empirical exploration of the concept 'hospitality' would be fruitful, i.e. what is patients' understanding of 'hospitality' and 'hostility' related to nurses' descriptions of themselves as 'guests' in the patient's home. © 2013 Blackwell Publishing Ltd.

The flexible brain. On mind and brain, neural darwinism and psychiatry.

PubMed

den Boer, J A

1997-09-01

A theoretical introduction is given in which several theoretical viewpoints concerning the mind-brain problem are discussed. During the last decade philosophers like Searle, Dennett and the Churchlands have taken a more or less pure materialistic position in explaining mental phenomena. Investigators in biological psychiatry have hardly ever taken a clear position in this discussion, whereas we believe it is important that the conclusions drawn from biological research are embedded in a theoretical framework related to the mind-brain problem. In this article the thesis is defended that the theory of neural darwinism represents a major step forward and may bridge previous distinctions between biological, clinical and social psychiatry.

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.

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.

Merging Theoretical Models and Therapy Approaches in the Context of Internet Gaming Disorder: A Personal Perspective.

PubMed

Young, Kimberly S; Brand, Matthias

2017-01-01

Although, it is not yet officially recognized as a clinical entity which is diagnosable, Internet Gaming Disorder (IGD) has been included in section III for further study in the DSM-5 by the American Psychiatric Association (APA, 2013). This is important because there is increasing evidence that people of all ages, in particular teens and young adults, are facing very real and sometimes very severe consequences in daily life resulting from an addictive use of online games. This article summarizes general aspects of IGD including diagnostic criteria and arguments for the classification as an addictive disorder including evidence from neurobiological studies. Based on previous theoretical considerations and empirical findings, this paper examines the use of one recently proposed model, the Interaction of Person-Affect-Cognition-Execution (I-PACE) model, for inspiring future research and for developing new treatment protocols for IGD. The I-PACE model is a theoretical framework that explains symptoms of Internet addiction by looking at interactions between predisposing factors, moderators, and mediators in combination with reduced executive functioning and diminished decision making. Finally, the paper discusses how current treatment protocols focusing on Cognitive-Behavioral Therapy for Internet addiction (CBT-IA) fit with the processes hypothesized in the I-PACE model.

Evolution of spatially structured host-parasite interactions.

PubMed

Lion, S; Gandon, S

2015-01-01

Spatial structure has dramatic effects on the demography and the evolution of species. A large variety of theoretical models have attempted to understand how local dispersal may shape the coevolution of interacting species such as host-parasite interactions. The lack of a unifying framework is a serious impediment for anyone willing to understand current theory. Here, we review previous theoretical studies in the light of a single epidemiological model that allows us to explore the effects of both host and parasite migration rates on the evolution and coevolution of various life-history traits. We discuss the impact of local dispersal on parasite virulence, various host defence strategies and local adaptation. Our analysis shows that evolutionary and coevolutionary outcomes crucially depend on the details of the host-parasite life cycle and on which life-history trait is involved in the interaction. We also discuss experimental studies that support the effects of spatial structure on the evolution of host-parasite interactions. This review highlights major similarities between some theoretical results, but it also reveals an important gap between evolutionary and coevolutionary models. We discuss possible ways to bridge this gap within a more unified framework that would reconcile spatial epidemiology, evolution and coevolution. © 2014 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2014 European Society For Evolutionary Biology.

Merging Theoretical Models and Therapy Approaches in the Context of Internet Gaming Disorder: A Personal Perspective

PubMed Central

Young, Kimberly S.; Brand, Matthias

2017-01-01

Although, it is not yet officially recognized as a clinical entity which is diagnosable, Internet Gaming Disorder (IGD) has been included in section III for further study in the DSM-5 by the American Psychiatric Association (APA, 2013). This is important because there is increasing evidence that people of all ages, in particular teens and young adults, are facing very real and sometimes very severe consequences in daily life resulting from an addictive use of online games. This article summarizes general aspects of IGD including diagnostic criteria and arguments for the classification as an addictive disorder including evidence from neurobiological studies. Based on previous theoretical considerations and empirical findings, this paper examines the use of one recently proposed model, the Interaction of Person-Affect-Cognition-Execution (I-PACE) model, for inspiring future research and for developing new treatment protocols for IGD. The I-PACE model is a theoretical framework that explains symptoms of Internet addiction by looking at interactions between predisposing factors, moderators, and mediators in combination with reduced executive functioning and diminished decision making. Finally, the paper discusses how current treatment protocols focusing on Cognitive-Behavioral Therapy for Internet addiction (CBT-IA) fit with the processes hypothesized in the I-PACE model. PMID:29104555

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.

Validation of the Self-Beliefs Related to Social Anxiety Scale

PubMed Central

Moulds, Michelle L.; Rapee, Ronald M.

2014-01-01

The importance of self-beliefs in prominent models of social phobia has led to the development of measures that tap this cognitive construct. The Self-Beliefs Related to Social Anxiety (SBSA) Scale is one such measure and taps the three maladaptive belief types proposed in Clark and Wells’s model of social phobia. This study aimed to replicate and extend previous research on the psychometric properties of the SBSA. Replicating previous research, in an (undiagnosed) undergraduate sample (n = 235), the SBSA was found to have a correlated three-factor structure using confirmatory factor analyses, and the SBSA and its subscales demonstrated good internal consistency and test–retest reliability. The SBSA and its subscales also had unique relationships with social anxiety and depression, the majority of which replicated previous research. Extending previous research, the SBSA and its subscales showed good incremental validity in the undergraduate sample and good discriminative validity using the undergraduate sample and a sample of individuals with social phobia (n = 33). The SBSA’s strong theoretical basis and the findings of this study suggest that the SBSA is an ideal research and clinical tool to assess the cognitions characteristic of social phobia. PMID:23575344

Validation of the self-beliefs related to social anxiety scale: a replication and extension.

PubMed

Wong, Quincy J J; Moulds, Michelle L; Rapee, Ronald M

2014-06-01

The importance of self-beliefs in prominent models of social phobia has led to the development of measures that tap this cognitive construct. The Self-Beliefs Related to Social Anxiety (SBSA) Scale is one such measure and taps the three maladaptive belief types proposed in Clark and Wells's model of social phobia. This study aimed to replicate and extend previous research on the psychometric properties of the SBSA. Replicating previous research, in an (undiagnosed) undergraduate sample (n = 235), the SBSA was found to have a correlated three-factor structure using confirmatory factor analyses, and the SBSA and its subscales demonstrated good internal consistency and test-retest reliability. The SBSA and its subscales also had unique relationships with social anxiety and depression, the majority of which replicated previous research. Extending previous research, the SBSA and its subscales showed good incremental validity in the undergraduate sample and good discriminative validity using the undergraduate sample and a sample of individuals with social phobia (n = 33). The SBSA's strong theoretical basis and the findings of this study suggest that the SBSA is an ideal research and clinical tool to assess the cognitions characteristic of social phobia. © The Author(s) 2013.

Amplitude variations in the sdBV star PG 1605+072: Another beating time scale?

NASA Astrophysics Data System (ADS)

Pereira, T. M. D.; Lopes, I. P.

2004-10-01

PG 1605+072 has an unique and complex oscillation spectrum amongst the pulsating members of the EC 14026 stars. It has the longest periods and the richest, most puzzling frequency spectrum. We present a quantitative analysis of the photometric time-series obtained at 1-m telescope of the South African Astronomical Observatory. Thirteen oscillation parameters, frequencies, amplitudes and initial phases were determined from a 45 h time-series. Our work confirm previous observational results. The observed frequencies are within a difference smaller than 2.7% of the theoretical values, and less than 0.1% of other previous studies. We also infer the existence of variation of a periodicity of 4-5 days on the amplitude of the observed modes, similar to the yearly time-scale variation found by previous studies. Furthermore, we found a new frequency of 2133 μ Hz which has not been previously reported, its origin being yet unclear. Based on observations obtained at the South African Astronomical Observatory (SAAO). This research was supported by a grant from Fundação da Ciência e Tecnologia, grant No. PESO/P/PRO/40142/2000.

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

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.

Antenatal Workup of Early Megacystis and Selection of Candidates for Fetal Therapy.

PubMed

Fontanella, Federica; Duin, Leonie; Adama van Scheltema, Phebe N; Cohen-Overbeek, Titia E; Pajkrt, Eva; Bekker, Mireille; Willekes, Christine; Bax, Caroline J; Oepkes, Dick; Bilardo, Catia M

2018-05-17

To investigate the best criteria for discriminating fetuses with isolated posterior urethral valves from those theoretically not eligible for fetal treatment because of complex megacystis, high chance of spontaneous resolution, and urethral atresia. A retrospective national study was conducted in fetuses with megacystis detected before 17 weeks' gestation (early megacystis). In total, 142 cases with fetal megacystis were included in the study: 52 with lower urinary tract obstruction, 29 with normal micturition at birth, and 61 with miscellaneous syndromal associations, chromosomal and multiple structural abnormalities (complex megacystis). Only a nuchal translucency > 95th centile, and not a longitudinal bladder diameter ≤15 mm (p = 0.24), significantly increased the risk of complex megacystis (p < 0.01). Cases with a high chance of spontaneous resolution were identified by using the cut-off of 12 mm, as demonstrated in a previous study, and the finding of an associated umbilical cord cyst carried a high-risk of urethral atresia (odds ratio: 15; p = 0.026), an unfavorable condition for antenatal treatment. An algorithm encompassing these three criteria demonstrated good accuracy in selecting fetuses theoretically eligible for fetal treatment (specificity 73%; sensitivity 92%). Cases theoretically eligible for early fetal therapy are those with normal nuchal translucency, a longitudinal bladder diameter > 12 mm, and without ultrasound evidence of umbilical cord cysts. © 2018 The Author(s) Published by S. Karger AG, Basel.

Light dosimetry and dose verification for pleural PDT

NASA Astrophysics Data System (ADS)

Dimofte, Andreea; Sharikova, Anna V.; Meo, Julia L.; Simone, Charles B.; Friedberg, Joseph S.; Zhu, Timothy C.

2013-03-01

In-vivo light dosimetry for patients undergoing photodynamic therapy (PDT) is critical for predicting PDT outcome. Patients in this study are enrolled in a Phase I clinical trial of HPPH-mediated PDT for the treatment of non-small cell lung cancer with pleural effusion. They are administered 4mg per kg body weight HPPH 48 hours before the surgery and receive light therapy with a fluence of 15-45 J/cm2 at 661 and 665nm. Fluence rate (mW/cm2) and cumulative fluence (J/cm2) are monitored at 7 sites during the light treatment delivery using isotropic detectors. Light fluence (rate) delivered to patients is examined as a function of treatment time, volume and surface area. In a previous study, a correlation between the treatment time and the treatment volume and surface area was established. However, we did not include the direct light and the effect of the shape of the pleural surface on the scattered light. A real-time infrared (IR) navigation system was used to separate the contribution from the direct light. An improved expression that accurately calculates the total fluence at the cavity wall as a function of light source location, cavity geometry and optical properties is determined based on theoretical and phantom studies. The theoretical study includes an expression for light fluence rate in an elliptical geometry instead of the spheroid geometry used previously. The calculated light fluence is compared to the measured fluence in patients of different cavity geometries and optical properties. The result can be used as a clinical guideline for future pleural PDT treatment.

Therapists' thoughts on therapy: clinicians' perceptions of the therapy processes that distinguish schema, cognitive behavioural and psychodynamic approaches.

PubMed

Boterhoven De Haan, Katrina L; Lee, Christopher W

2014-01-01

Debates continue over shared factors in therapy processes between different theoretical orientations. By seeking the opinions of practicing clinicians, this study aimed to elucidate the similarities and differences between cognitive-behavioural (CBT), psychodynamic (PDT), and schema therapy (ST) approaches. Forty-eight practitioners aligning with one of the three approaches were asked to identify crucial processes in their therapy using a modified online version of the Psychotherapy Process Q-set. Distinct differences between each theoretical orientation with few shared common factors were found. A comparison with ratings from previous studies indicated that CBT therapists have not changed over the last 20 years, whereas PDT therapists have changed and the differences appeared consistent with modern PDT theory. The differences between the therapy approaches were consistent with theories underlying each model. PDT therapists valued a neutral relationship, CBT therapists emphasized a didactic interaction, and therapists form a ST orientation placed a greater emphasis on emotional involvement.

Equation of motion coupled cluster methods for electron attachment and ionization potential in polyacenes

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

Bhaskaran-Nair, Kiran; Kowalski, Karol; Jarrell, Mark

2015-11-05

Polyacenes have attracted considerable attention due to their use in organic based optoelectronic materials. Polyacenes are polycyclic aromatic hydrocarbons composed of fused benzene rings. Key to understanding and design of new functional materials is an understanding of their excited state properties starting with their electron affinity (EA) and ionization potential (IP). We have developed a highly accurate and com- putationally e*fficient EA/IP equation of motion coupled cluster singles and doubles (EA/IP-EOMCCSD) method that is capable of treating large systems and large basis set. In this study we employ the EA/IP-EOMCCSD method to calculate the electron affinity and ionization potential ofmore » naphthalene, anthracene, tetracene, pentacene, hex- acene and heptacene. We have compared our results with other previous theoretical studies and experimental data. Our EA/IP results are in very good agreement with experiment and when compared with the other theoretical investigations our results represent the most accurate calculations as compared to experiment.« less

Re-reading "Little Hans": Freud's case study and the question of competing paradigms in psychoanalysis.

PubMed

Midgley, Nicholas

2006-01-01

Psychoanalysts have long recognized the complex interaction between clinical data and formal psychoanalytic theories. While clinical data are often used to provide "evidence" for psychoanalytic paradigms, the theoretical model used by the analyst also structures what can and cannot be seen in the data. This delicate interaction between theory and clinical data can be seen in the history of interpretations of Freud's "Analysis of a Phobia in a Five-Year-Old Boy" ("Little Hans"). Freud's himself revised his reading of the case in 1926, after which a number of psychoanalysts--including Melanie Klein, Jacques Lacan, and John Bowlby--reinterpreted the case in the light of their particular models of the mind. These analysts each found "evidence" for their theoretical model within this classic case study, and in doing so they illuminated aspects of the case that had previously been obscured, while also revealing a great deal about the shifting preoccupations of psychoanalysis as a field.

Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model

NASA Astrophysics Data System (ADS)

Xu, Yang; Song, Kai; Shi, Qiang

2018-03-01

The hydride transfer reaction catalyzed by dihydrofolate reductase is studied using a recently developed mixed quantum-classical method to investigate the nuclear quantum effects on the reaction. Molecular dynamics simulation is first performed based on a two-state empirical valence bond potential to map the atomistic model to an effective double-well potential coupled to a harmonic bath. In the mixed quantum-classical simulation, the hydride degree of freedom is quantized, and the effective harmonic oscillator modes are treated classically. It is shown that the hydride transfer reaction rate using the mapped effective double-well/harmonic-bath model is dominated by the contribution from the ground vibrational state. Further comparison with the adiabatic reaction rate constant based on the Kramers theory confirms that the reaction is primarily vibrationally adiabatic, which agrees well with the high transmission coefficients found in previous theoretical studies. The calculated kinetic isotope effect is also consistent with the experimental and recent theoretical results.

[Study on the Spectral Characteristics of the Narrow-Band Filter in SHS].

PubMed

Luo, Hai-yan; Shi, Hai-liang; Li, Zhi-wei; Li, Shuang; Xiong, Wei; Hong, Jin

2015-04-01

The spectral response of spatial heterodyne spectroscopy (SHS) is determined by the spectrum property of narrow-band filter. As discussed in previous studies, the symmetric heterodyned interferogram of high frequency waves modulated by SHS and lack of sample lead to spectral confusion, which is associated with the true and ghost spectra. Because of the deviation from theoretical index of narrow-band filter in the process of coating, the boarded spectral response and middle wave shift are presented, and conditions in the theoretical Littrow wavelength made the effective wavelength range of SHS reduced. According to the measured curve of filter, a new wavenumber of zero spatial frequency can be reset by tunable laser, and it is easy for SHS to improve the spectral aliasing distortion. The results show that it is utilized to the maximum extent of the effective bandwidth by adjusting the grating angle of rotation to change the Littrow wavelength of the basic frequency, and the spectral region increased to 14.9 nm from original 12.9 nm.

An information-theoretic approach for the evaluation of surrogate endpoints based on causal inference.

PubMed

Alonso, Ariel; Van der Elst, Wim; Molenberghs, Geert; Buyse, Marc; Burzykowski, Tomasz

2016-09-01

In this work a new metric of surrogacy, the so-called individual causal association (ICA), is introduced using information-theoretic concepts and a causal inference model for a binary surrogate and true endpoint. The ICA has a simple and appealing interpretation in terms of uncertainty reduction and, in some scenarios, it seems to provide a more coherent assessment of the validity of a surrogate than existing measures. The identifiability issues are tackled using a two-step procedure. In the first step, the region of the parametric space of the distribution of the potential outcomes, compatible with the data at hand, is geometrically characterized. Further, in a second step, a Monte Carlo approach is proposed to study the behavior of the ICA on the previous region. The method is illustrated using data from the Collaborative Initial Glaucoma Treatment Study. A newly developed and user-friendly R package Surrogate is provided to carry out the evaluation exercise. © 2016, The International Biometric Society.

Equivalence of Brownian dynamics and dynamic Monte Carlo simulations in multicomponent colloidal suspensions.

PubMed

Cuetos, Alejandro; Patti, Alessandro

2015-08-01

We propose a simple but powerful theoretical framework to quantitatively compare Brownian dynamics (BD) and dynamic Monte Carlo (DMC) simulations of multicomponent colloidal suspensions. By extending our previous study focusing on monodisperse systems of rodlike colloids, here we generalize the formalism described there to multicomponent colloidal mixtures and validate it by investigating the dynamics in isotropic and liquid crystalline phases containing spherical and rodlike particles. In order to investigate the dynamics of multicomponent colloidal systems by DMC simulations, it is key to determine the elementary time step of each species and establish a unique timescale. This is crucial to consistently study the dynamics of colloidal particles with different geometry. By analyzing the mean-square displacement, the orientation autocorrelation functions, and the self part of the van Hove correlation functions, we show that DMC simulation is a very convenient and reliable technique to describe the stochastic dynamics of any multicomponent colloidal system. Our theoretical formalism can be easily extended to any colloidal system containing size and/or shape polydisperse particles.

Experimental and theoretical triple differential cross sections for electron-impact ionization of Ar (3p) for equal energy final state electrons

NASA Astrophysics Data System (ADS)

Amami, Sadek; Ozer, Zehra N.; Dogan, Mevlut; Yavuz, Murat; Varol, Onur; Madison, Don

2016-09-01

There have been several studies of electron-impact ionization of inert gases for asymmetric final state energy sharing and normally one electron has an energy significantly higher than the other. However, there have been relatively few studies examining equal energy final state electrons. Here we report experimental and theoretical triple differential cross sections for electron impact ionization of Ar (3p) for equal energy sharing of the outgoing electrons. Previous experimental results combined with some new measurements are compared with distorted wave born approximation (DWBA) results, DWBA results using the Ward-Macek (WM) approximation for the post collision interaction (PCI), and three-body distorted wave (3DW) which includes PCI without approximation. The results show that it is crucially important to include PCI in the calculation particularly for lower energies and that the WM approximation is valid only for high energies. The 3DW, on the other hand, is in reasonably good agreement with data down to fairly low energies.

Mind perception of God in Japanese children.

PubMed

Moriguchi, Yusuke; Takahashi, Hideyuki; Nakamata, Tomoko; Todo, Naoya

2018-03-05

There is a theoretical debate regarding whether children represent God with reference to a human. Most previous studies have assessed this issue focusing on knowledge/omniscience in western children. This study used a theoretical framework characterising mental capacities in terms of motivational/emotional (experience) and cognitive (agency) mental capacities and tested whether Japanese children discriminated between God, a human, a baby and an invisible agent according to these capacities. Three- to 6-year-old children were asked about the experience and agency of the agents. The results revealed that children discriminated God from a human in terms of mental capacities including experience and agency in 3-year-old children. On the other hand, 4- to 6-year-old children, but not 3-year-old children, discriminated a human from a baby and an invisible person. The results suggest that the Japanese children's representations of God differed from their representation of a human during preschool years. © 2018 International Union of Psychological Science.

Vibrationally resolved photoelectron spectroscopy of electronic excited states of DNA bases: application to the ã state of thymine cation.

PubMed

Hochlaf, Majdi; Pan, Yi; Lau, Kai-Chung; Majdi, Youssef; Poisson, Lionel; Garcia, Gustavo A; Nahon, Laurent; Al Mogren, Muneerah Mogren; Schwell, Martin

2015-02-19

For fully understanding the light-molecule interaction dynamics at short time scales, recent theoretical and experimental studies proved the importance of accurate characterizations not only of the ground (D0) but also of the electronic excited states (e.g., D1) of molecules. While ground state investigations are currently straightforward, those of electronic excited states are not. Here, we characterized the à electronic state of ionic thymine (T(+)) DNA base using explicitly correlated coupled cluster ab initio methods and state-of-the-art synchrotron-based electron/ion coincidence techniques. The experimental spectrum is composed of rich and long vibrational progressions corresponding to the population of the low frequency modes of T(+)(Ã). This work challenges previous numerous works carried out on DNA bases using common synchrotron and VUV-based photoelectron spectroscopies. We provide hence a powerful theoretical and experimental framework to study the electronic structure of ionized DNA bases that could be generalized to other medium-sized biologically relevant systems.

A theoretical study of concentration of profiles of primary cytochemical-enzyme reaction products in membrane-bound cell organelles and its application to lysosomal acid phosphatase.

PubMed

Cornelisse, C J; Hermens, W T; Joe, M T; Duijndam, W A; van Duijn, P

1976-11-01

A numerical method was developed for computing the steady-state concentration gradient of a diffusible enzyme reaction product in a membrane-limited compartment of a simplified theoretical cell model. In cytochemical enzyme reactions proceeding according to the metal-capture principle, the local concentration of the primary reaction product is an important factor in the onset of the precipitation process and in the distribution of the final reaction product. The following variables were incorporated into the model: enzyme activity, substrate concentration, Km, diffusion coefficient of substrate and product, particle radius and cell radius. The method was applied to lysosomal acid phosphatase. Numerical values for the variables were estimated from experimental data in the literature. The results show that the calculated phosphate concentrations inside lysosomes are several orders of magnitude lower than the critical concentrations for efficient phosphate capture found in a previous experimental model study. Reasons for this apparent discrepancy are discussed.

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.

Tip-induced domain growth on the non-polar cuts of lithium niobate single-crystals

DOE PAGES

Alikin, Denis O.; Ievlev, Anton; Turigin, Anton P.; ...

2015-05-05

Currently ferroelectric materials with designed domain structures are considered as a perspective material for new generation of photonic, data storage and data processing devices. Application of external electric field is the most convenient way of the domain structure formation. Lots of papers are devoted to investigation of the domain kinetics on polar surface of crystals while the forward growth remains one of the most mysterious stages due to lack of experimental methods allowing to study it. Here we performed tip-induced polarization reversal on X- and Y-non-polar cuts in single-crystal of congruent lithium niobate allows us to study the forward growthmore » with high spatial resolution. The revealed difference in the shape and length of domains induced on X- and Y-cuts is beyond previously developed theoretical approaches used for the theoretical consideration of the domains growth at non-polar ferroelectric surfaces. Lastly, to explain experimental results we used kinetic approach with anisotropy of screening efficiency along different crystallographic directions.« less

Positron total scattering cross-sections for alkali atoms

NASA Astrophysics Data System (ADS)

Sinha, Nidhi; Singh, Suvam; Antony, Bobby

2018-01-01

Positron-impact total scattering cross-sections for Li, Na, K, Rb, Cs and Fr atoms are calculated in the energy range from 5-5000 eV employing modified spherical complex optical potential formalism. The main aim of this work is to apply this formalism to the less studied positron-target collision systems. The results are compared with previous theoretical and experimental data, wherever available. In general, the present data show overall agreement and consistency with other results. Furthermore, we have done a comparative study of the results to investigate the effect of atomic size on the cross-sections as we descend through the group in the periodic table. We have also plotted a correlation graph of the present total cross-sections with polarizability and number of target electrons. The two correlation plots confirm the credibility and consistency of the present results. Besides, this is the first theoretical attempt to report positron-impact total cross-sections of alkali atoms over such a wide energy range.

The polarization response in InAs quantum dots: theoretical correlation between composition and electronic properties.

PubMed

Usman, Muhammad; Tasco, Vittorianna; Todaro, Maria Teresa; De Giorgi, Milena; O'Reilly, Eoin P; Klimeck, Gerhard; Passaseo, Adriana

2012-04-27

III-V growth and surface conditions strongly influence the physical structure and resulting optical properties of self-assembled quantum dots (QDs). Beyond the design of a desired active optical wavelength, the polarization response of QDs is of particular interest for optical communications and quantum information science. Previous theoretical studies based on a pure InAs QD model failed to reproduce experimentally observed polarization properties. In this work, multi-million atom simulations are performed in an effort to understand the correlation between chemical composition and polarization properties of QDs. A systematic analysis of QD structural parameters leads us to propose a two-layer composition model, mimicking In segregation and In-Ga intermixing effects. This model, consistent with mostly accepted compositional findings, allows us to accurately fit the experimental PL spectra. The detailed study of QD morphology parameters presented here serves as a tool for using growth dynamics to engineer the strain field inside and around the QD structures, allowing tuning of the polarization response.

Theoretical study of the transonic lift of a double-wedge profile with detached bow wave

NASA Technical Reports Server (NTRS)

Vincenti, Walter G; Wagoner, Cleo B

1954-01-01

A theoretical study is described of the aerodynamic characteristics at small angle of attack of a thin, double-wedge profile in the range of supersonic flight speed in which the bow wave is detached. The analysis is carried out within the framework of the transonic (nonlinear) small-disturbance theory, and the effects of angle of attack are regarded as a small perturbation on the flow previously calculated at zero angle. The mixed flow about the front half of the profile is calculated by relaxation solution of a suitably defined boundary-value problem for transonic small-disturbance equation in the hodograph plane (i.e., the Tricomi equation). The purely supersonic flow about the rear half is found by an extension of the usual numerical method of characteristics. Analytical results are also obtained, within the framework of the same theory, for the range of speed in which the bow wave is attached and the flow is completely supersonic.

Resonant transfer excitation in collisions of F sup 6+ and Mg sup 9+ with H sub 2

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

Bernstein, E.M.; Kamal, A.; Zaharakis, K.E.

1991-10-01

Experimental and theoretical investigations of resonant transfer excitation (RTE) for F{sup 6+}+H{sub 2} and Mg{sup 9+}+H{sub 2} collisions have been made. For both collision systems good agreement is obtained between the measured cross sections for {ital K}-shell x-ray emission coincident with electron-capture and theoretical RTE calculations. For F{sup 6+} the present calculations are about 10% lower than previous results of Bhalla and Karim (Phys. Rev. A 39, 6060 (1989); 41, 4097(E) (1990)); the measured cross sections are a factor of 2.3 larger than earlier measurements of Schulz {ital et} {ital al}. (Phys. Rev. A 38, 5454 (1988)). The previous disagreementmore » between experiment and theory for F{sup 6+} is removed.« less

Theoretical and Experimental Analysis of Low-Drag Supersonic Inlets Having a Circular Cross Section and a Central Body at Mach Numbers 3.30, 2.75, and 2.45

NASA Technical Reports Server (NTRS)

Ferri, Antonio; Nucci, Louis M

1954-01-01

Contains theoretical and experimental analysis of circular inlets having a central body at Mach numbers of 3.30, 2.75, and 2.45. The inlets have been designed in order to have low drag and high pressure recovery. The pressure recoveries obtained are of the same order of magnitude as those previously obtained by inlets having very large external drag.

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

Le, K. C.; Tran, T. M.; Langer, J. S.

The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent of strain rate and temperature, we are able to fit experimental stress-strain curves for three different strain rates and three different temperatures for each of these two materials. Here, our theoretical curves include yielding transitions at zero strain in agreement with experiment. We find that thermal softening effects are important even at the lowest temperatures and smallest strain rates.

Black hole state counting in loop quantum gravity: a number-theoretical approach.

PubMed

Agulló, Iván; Barbero G, J Fernando; Díaz-Polo, Jacobo; Fernández-Borja, Enrique; Villaseñor, Eduardo J S

2008-05-30

We give an efficient method, combining number-theoretic and combinatorial ideas, to exactly compute black hole entropy in the framework of loop quantum gravity. Along the way we provide a complete characterization of the relevant sector of the spectrum of the area operator, including degeneracies, and explicitly determine the number of solutions to the projection constraint. We use a computer implementation of the proposed algorithm to confirm and extend previous results on the detailed structure of the black hole degeneracy spectrum.

Hydrodynamic behavior in the outer shear layer of partly obstructed open channels

NASA Astrophysics Data System (ADS)

Ben Meftah, Mouldi; De Serio, Francesca; Mossa, Michele

2014-06-01

Despite the many studies on flow in partly obstructed open channels, this issue remains of fundamental importance in order to better understand the interaction between flow behavior and the canopy structure. In the first part of this study we suggest a new theoretical approach able to model the flow pattern within the shear layer in the unobstructed domain, adjacent to the canopy area. Differently from previous studies, the new analytical solution of flow momentum equations takes into account the transversal velocity component of the flow, which is modelled as a linear function of the streamwise velocity. The proposed theoretical model is validated by different experiments carried out on a physical model of a very large rectangular channel by the research group of the Department of Civil, Environmental, Building Engineering and Chemistry of the Technical University of Bari. An array of vertical, rigid, and circular steel cylinders was partially mounted on the bottom in the central part of the flume, leaving two lateral areas of free flow circulation near the walls. The three-dimensional flow velocity components were measured using a 3D Acoustic Doppler Velocimeter. A comparison of the measured and predicted data of the present study with those obtained in other previous studies, carried out with different canopy density, show a non-dependence of this analytical solution on the array density and the Reynolds number. In the second part of the paper, detailed observations of turbulent intensities and spanwise Reynolds stresses in the unobstructed flow are analyzed and discussed. Differently from some earlier studies, it was observed that the peak of the turbulence intensity and that of the spanwise Reynolds stress are significantly shifted toward the center of the shear layer.

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

Yu, Dae Jung; Lee, Dong-Hun; Kim, Kihong

We study theoretically the linear mode conversion between electromagnetic waves and Langmuir waves in warm, stratified, and unmagnetized plasmas, using a numerically precise calculation based on the invariant imbedding method. We verify that the principle of reciprocity for the forward and backward mode conversion coefficients holds precisely regardless of temperature. We also find that the temperature dependence of the mode conversion coefficient is substantially stronger than that previously reported. Depending on the wave frequency and the incident angle, the mode conversion coefficient is found to increase or decrease with the increase of temperature.

A review of building information modelling

NASA Astrophysics Data System (ADS)

Wang, Wen; Han, Rui

2018-05-01

Building Information Modelling (BIM) is widely seen as a catalyst for innovation and productivity. It is becoming standard for new construction and is the most significant technology changing how we design, build, use and manage the building. It is a dominant technological trend in the software industry and although the theoretical groundwork was laid in the previous century, it is a popular topic in academic research. BIM is discussed in this study, which results can provide better and more comprehensive choices for building owners, designers, and developers in future.

Explanation of the quantum phenomenon of off-resonant cavity-mode emission

NASA Astrophysics Data System (ADS)

Echeverri-Arteaga, Santiago; Vinck-Posada, Herbert; Gómez, Edgar A.

2018-04-01

We theoretically investigate the unexpected occurrence of an extra emission peak that has been experimentally observed in off-resonant studies of cavity QED systems. Our results within the Markovian master equation approach successfully explain why the central peak arises, and how it reveals that the system is suffering a dynamical phase transition induced by the phonon-mediated coupling. Our findings are in qualitative agreement with previous reported experimental results, and the fundamental physics behind this quantum phenomenon is understood.

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.

Deployed Women’s Illness Behaviors While Managing Genitourinary Symptoms: An Exploratory Theoretical Synthesis of Two Qualitative Studies

DTIC Science & Technology

2018-04-21

rules provided opportunities for women to serve in a broad range of military occupations not previously available (Pellerin, 2015). Full integration ...Behavior Model Disease I ._I _____ _ _ 1_L_L_N_e_s_s_e_x_P_E_R_1e_N_c_ e ______ _, ETH NO-CULTURAL CONTEXT External Influences Internal Integration ...disease. Distress refers to the " sum total of psychological factors and somatic sensations, and as such, it was intricately interwoven with meaning

On the relevance of Gibson's affordance concept for geographical information science (GISc).

PubMed

Jonietz, David; Timpf, Sabine

2015-09-01

J. J. Gibson's concept of affordances has provided a theoretical basis for various studies in geographical information science (GISc). This paper sets out to explain its popularity from a GISc perspective. Based on a short review of previous work, it will be argued that its main contributions to GISc are twofold, including an action-centered view of spatial entities and the notion of agent-environment mutuality. Using the practical example of pedestrian behavior simulation, new potentials for using and extending affordances are discussed.

Discrimination Power of Polynomial-Based Descriptors for Graphs by Using Functional Matrices.

PubMed

Dehmer, Matthias; Emmert-Streib, Frank; Shi, Yongtang; Stefu, Monica; Tripathi, Shailesh

2015-01-01

In this paper, we study the discrimination power of graph measures that are based on graph-theoretical matrices. The paper generalizes the work of [M. Dehmer, M. Moosbrugger. Y. Shi, Encoding structural information uniquely with polynomial-based descriptors by employing the Randić matrix, Applied Mathematics and Computation, 268(2015), 164-168]. We demonstrate that by using the new functional matrix approach, exhaustively generated graphs can be discriminated more uniquely than shown in the mentioned previous work.

Neutron star cooling and pion condensation

NASA Technical Reports Server (NTRS)

Umeda, Hideyuki; Nomoto, Ken'ichi; Tsuruta, Sachiko; Muto, Takumi; Tatsumi, Toshitaka

1994-01-01

The nonstandard cooling of a neutron star with the central pion core is explored. By adopting the latest results from the pion condensation theory, neutrino emissivity is calulated for both pure charged pions and a mixture of charged and neutral pions, and the equations of state are constructed for the pion condensate. The effect of superfluidity on cooling is investigated, adopting methods more realistic than in previous studies. Our theoretical models are compared with the currently updated observational data, and possible implications are explored.

Discrimination Power of Polynomial-Based Descriptors for Graphs by Using Functional Matrices

PubMed Central

Dehmer, Matthias; Emmert-Streib, Frank; Shi, Yongtang; Stefu, Monica; Tripathi, Shailesh

2015-01-01

In this paper, we study the discrimination power of graph measures that are based on graph-theoretical matrices. The paper generalizes the work of [M. Dehmer, M. Moosbrugger. Y. Shi, Encoding structural information uniquely with polynomial-based descriptors by employing the Randić matrix, Applied Mathematics and Computation, 268(2015), 164–168]. We demonstrate that by using the new functional matrix approach, exhaustively generated graphs can be discriminated more uniquely than shown in the mentioned previous work. PMID:26479495

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

Bonior, Jason D; Hu, Zhen; Guo, Terry N.

This letter presents an experimental demonstration of software-defined-radio-based wireless tomography using computer-hosted radio devices called Universal Software Radio Peripheral (USRP). This experimental brief follows our vision and previous theoretical study of wireless tomography that combines wireless communication and RF tomography to provide a novel approach to remote sensing. Automatic data acquisition is performed inside an RF anechoic chamber. Semidefinite relaxation is used for phase retrieval, and the Born iterative method is utilized for imaging the target. Experimental results are presented, validating our vision of wireless tomography.

Potential Jupiter astmospheric constituents: candidates for the mass spectrometer in the Galileo atmospheric probe

NASA Technical Reports Server (NTRS)

Keane, T. C.; Yuan, F.; Ferris, J. P.

1996-01-01

An array of carbon-hydrogen-nitrogen (CHN) compounds are formed when mixtures of ammonia and acetylene are photolyzed with ultraviolet (UV) light. Some of these compounds, formed in our investigation of pathways for HCN synthesis on Jupiter, have not been encountered previously in observational, theoretical or laboratory photochemical studies. Knowledge of these structures may facilitate the interpretation of the mass spectral data obtained by the Galileo probe as it passed through the atmosphere of Jupiter.

Analysis of Hepatic Blood Flow Using Chaotic Models

PubMed Central

Cohen, M. E.; Moazamipour, H.; Hudson, D. L.; Anderson, M. F.

1990-01-01

The study of chaos in physical systems is an important new theoretical development in modeling which has emerged in the last fifteen years. It is particularly useful in explaining phenomena which arise in nonlinear dynamic systems, for which previous mathematical models produced results with intractable solutions. Analysis of blood flow is such an application. In the work described here, chaotic models are used to analyze hepatic artery and portal vein blood flow obtained from a pulsed Doppler ultrasonic flowmeter implanted in dogs. ImagesFigure 3

A Hydrodynamic Model of Transport in the Wheat Ear

NASA Technical Reports Server (NTRS)

Stieber, Joseph; Stieber, Joli; Bubenheim, David L.; Kliss, Mark (Technical Monitor)

1996-01-01

The vascular arrangement in the main axis (rachis) of the wheat ear, studied and reported in a previous paper by the same, described a circuit-cascade system consisting of capacitance and resistance passages (so-called RC-circuits). Some hydromechanic aspects (e.g., resonance, impulse control) of this asymmetric transport system and their possible role and importance in the fluid supply are discussed. A theoretical analysis of how this system works, as well as samples of practical application are presented.

Significant lexical relationships

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

Pedersen, T.; Kayaalp, M.; Bruce, R.

Statistical NLP inevitably deals with a large number of rare events. As a consequence, NLP data often violates the assumptions implicit in traditional statistical procedures such as significance testing. We describe a significance test, an exact conditional test, that is appropriate for NLP data and can be performed using freely available software. We apply this test to the study of lexical relationships and demonstrate that the results obtained using this test are both theoretically more reliable and different from the results obtained using previously applied tests.

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.

Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide.

PubMed

Changala, P Bryan; Nguyen, T Lam; Baraban, Joshua H; Ellison, G Barney; Stanton, John F; Bross, David H; Ruscic, Branko

2017-11-22

The adiabatic ionization energy of hydrogen peroxide (HOOH) is investigated, both by means of theoretical calculations and theoretically assisted reanalysis of previous experimental data. Values obtained by three different approaches: 10.638 ± 0.012 eV (purely theoretical determination), 10.649 ± 0.005 eV (reanalysis of photoelectron spectrum), and 10.645 ± 0.010 eV (reanalysis of photoionization spectrum) are in excellent mutual agreement. Further refinement of the latter two values to account for asymmetry of the rotational profile of the photoionization origin band leads to a reduction of 0.007 ± 0.006 eV, which tends to bring them into even closer alignment with the purely theoretical value. Detailed analysis of this fundamental quantity by the Active Thermochemical Tables approach, using the present results and extant literature, gives a final estimate of 10.641 ± 0.006 eV.

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.

Unique heating curves generated by radiofrequency electric-field interactions with semi-aqueous solutions

NASA Astrophysics Data System (ADS)

Lara, Nadia C.; Haider, Asad A.; Wilson, Lon J.; Curley, Steven A.; Corr, Stuart J.

2017-01-01

Aqueous and nanoparticle-based solutions have been reported to heat when exposed to an alternating radiofrequency (RF) electric-field. Although the theoretical models have been developed to accurately model such a behavior given the solution composition as well as the geometrical constraints of the sample holder, these models have not been investigated across a wide-range of solutions where the dielectric properties differ, especially with regard to the real permittivity. In this work, we investigate the RF heating properties of non-aqueous solutions composed of ethanol, propylene glycol, and glycine betaine with and without varying amounts of NaCl and LiCl. This allowed us to modulate the real permittivity across the range 25-132, as well as the imaginary permittivity across the range 37-177. Our results are in excellent agreement with the previously developed theoretical models. We have shown that different materials generate unique RF heating curves that differ from the standard aqueous heating curves. The theoretical model previously described is robust and accounts for the RF heating behavior of materials with a variety of dielectric properties, which may provide applications in non-invasive RF cancer hyperthermia.

Absorption by H2O and H2O-N2 mixtures at 153 GHz

NASA Technical Reports Server (NTRS)

Bauer, A.; Godon, M.; Carlier, J.; Ma, Q.; Tippings, R. H.

1993-01-01

New experimental data on and a theoretical analysis of the absorption coefficient at 153 GHz are presented for pure water vapor and water vapor-nitrogen mixtures. This frequency is 30 GHz lower than the resonant frequency of the nearest strong water line (183 GHz) and complements our previous measurements at 213 GHz. The pressure dependence is observed to be quadratic in the case of pure water vapor, while in the case of mixtures there are both linear and quadratic density components. By fitting our experimental data taken at several temperatures we have obtained the temperature dependence of the absorption. Our experimental data are compared to several theoretical models with and without a continuum contribution, and we find that none of the models is in very good agreement with the data; in the case of pure water vapor, the continuum contribution calculated using the recent theoretical absorption gives the best results. In general, the agreement between the data and the various models is less satisfactory than found previously in the high-frequency wing. The anisotropy in the observed absorption differs from that currently used in atmospheric models.

Periodic Density Functional Theory Study of the Structure, Raman Spectrum, and Mechanical Properties of Schoepite Mineral.

PubMed

Colmenero, Francisco; Cobos, Joaquín; Timón, Vicente

2018-04-16

The structure and Raman spectrum of schoepite mineral, [(UO 2 ) 8 O 2 (OH) 12 ]·12H 2 O, was studied by means of theoretical calculations. The computations were carried out by using density functional theory with plane waves and pseudopotentials. A norm-conserving pseudopotential specific for the U atom developed in a previous work was employed. Because it was not possible to locate H atoms directly from X-ray diffraction (XRD) data by structure refinement in previous experimental studies, all of the positions of the H atoms in the full unit cell were determined theoretically. The structural results, including the lattice parameters, bond lengths, bond angles, and powder XRD pattern, were found to be in good agreement with their experimental counterparts. However, the calculations performed using the unit cell designed by Ostanin and Zeller in 2007, involving half of the atoms of the full unit cell, led to significant errors in the computed powder XRD pattern. Furthermore, Ostanin and Zeller's unit cell contains hydronium ions, H 3 O + , which are incompatible with the experimental information. Therefore, while the use of this schoepite model may be a very useful approximation requiring a much smaller amount of computational effort, the full unit cell should be used to study this mineral accurately. The Raman spectrum was also computed by means of density functional perturbation theory and compared with the experimental spectrum. The results were also in agreement with the experimental data. A normal-mode analysis of the theoretical spectra was performed to assign the main bands of the Raman spectrum. This assignment significantly improved the current empirical assignment of the bands of the Raman spectrum of schoepite mineral. In addition, the equation of state and elastic properties of this mineral were determined. The crystal structure of schoepite was found to be stable mechanically and dynamically. Schoepite can be described as a brittle material exhibiting small anisotropy and large compressibility in the direction perpendicular to the layers, which characterize its structure. The calculated bulk modulus, B, was ∼35 GPa.

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.

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.

Extreme ultraviolet spectra of multiply charged tungsten ions

NASA Astrophysics Data System (ADS)

Mita, Momoe; Sakaue, Hiroyuki A.; Kato, Daiji; Murakami, Izumi; Nakamura, Nobuyuki

2017-11-01

We present extreme ultraviolet spectra of multiply charged tungsten ions observed with an electron beam ion trap. The observed spectra are compared with previous experimental results and theoretical spectra obtained with a collisional radiative model.

Understanding Collaborative Leadership in Theory and Practice

ERIC Educational Resources Information Center

Lawrence, Randee Lipson

2017-01-01

This final chapter provides a synthesis and analysis of the major themes in the previous chapters. Definitions of collaborative leadership are explored along with theoretical underpinnings, characteristics, and common themes. Implications for adult education are discussed.

Normal-mode selectivity in ultrafast Raman excitations in C60

NASA Astrophysics Data System (ADS)

Zhang, G. P.; George, Thomas F.

2006-01-01

Ultrafast Raman spectra are a powerful tool to probe vibrational excitations, but inherently they are not normal-mode specific. For a system as complicated as C60 , there is no general rule to target a specific mode. A detailed study presented here aims to investigate normal-mode selectivity in C60 by an ultrafast laser. To accurately measure mode excitation, we formally introduce the kinetic-energy-based normal-mode analysis which overcomes the difficulty with the strong lattice anharmonicity and relaxation. We first investigate the resonant excitation and find that mode selectivity is normally difficult to achieve. However, for off-resonant excitations, it is possible to selectively excite a few modes in C60 by properly choosing an optimal laser pulse duration, which agrees with previous experimental and theoretical findings. Going beyond the phenomenological explanation, our study shines new light on the origin of the optimal duration: The phase matching between the laser field and mode vibration determines which mode is strongly excited or suppressed. This finding is very robust and should be a useful guide for future experimental and theoretical studies in more complicated systems.

Normal mode selectivity in ultrafast Raman excitations in C60

NASA Astrophysics Data System (ADS)

Zhang, Guoping; George, Thomas F.

2006-05-01

Ultrafast Raman spectra are a powerful tool to probe vibrational excitations, but inherently they are not normal-mode specific. For a system as complicated as C60, there is no general rule to target a specific mode. A detailed study presented here aims to investigate normal mode selectivity in C60 by an ultrafast laser. To accurately measure mode excitation, we formally introduce the kinetic energy-based normal mode analysis which overcomes the difficulty with the strong lattice anharmonicity and relaxation. We first investigate the resonant excitation and find that mode selectivity is normally difficult to achieve. However, for off-resonant excitations, it is possible to selectively excite a few modes in C60 by properly choosing an optimal laser pulse duration, which agrees with previous experimental and theoretical findings. Going beyond the phenomenological explanation, our study shines new light on the origin of the optimal duration: The phase matching between laser field and mode vibration determines which mode is strongly excited or suppressed. This finding is very robust and may be a useful guide for future experimental and theoretical studies in more complicated systems.

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.

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

A Combined Molecular Dynamics and Experimental Study of Doped Polypyrrole.

PubMed

Fonner, John M; Schmidt, Christine E; Ren, Pengyu

2010-10-01

Polypyrrole (PPy) is a biocompatible, electrically conductive polymer that has great potential for battery, sensor, and neural implant applications. Its amorphous structure and insolubility, however, limit the experimental techniques available to study its structure and properties at the atomic level. Previous theoretical studies of PPy in bulk are also scarce. Using ab initio calculations, we have constructed a molecular mechanics force field of chloride-doped PPy (PPyCl) and undoped PPy. This model has been designed to integrate into the OPLS force field, and parameters are available for the Gromacs and TINKER software packages. Molecular dynamics (MD) simulations of bulk PPy and PPyCl have been performed using this force field, and the effects of chain packing and electrostatic scaling on the bulk polymer density have been investigated. The density of flotation of PPyCl films has been measured experimentally. Amorphous X-ray diffraction of PPyCl was obtained and correlated with atomic structures sampled from MD simulations. The force field reported here is foundational for bridging the gap between experimental measurements and theoretical calculations for PPy based materials.

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.

Nuclear medium effects in muonic neutrino interactions with energies from 0.2 to 1.5 GeV

NASA Astrophysics Data System (ADS)

Vargas, D.; Samana, A. R.; Velasco, F. G.; Hoyos, O. R.; Guzmán, F.; Bernal-Castillo, J. L.; Andrade-II, E.; Perez, R.; Deppman, A.; Barbero, C. A.; Mariano, A. E.

2017-11-01

Nuclear reactions induced by muon neutrinos with energies from 0.2 to 1.5 GeV in the Monte Carlo calculation framework in the intranuclear cascade model are studied. This study was done by comparing the available experimental data and theoretical values of total cross section, and the energy distribution of emitted lepton energy in the reaction muon neutrino nucleus, using the targets 12C, 16O, 27Al, 40Ar, 56Fe, and 208Pb. A phenomenological model of primary neutrino-nucleon interaction gives good agreement between our theoretical inclusive neutrino nucleus cross section and the available experimental data. Some interesting results on the behavior of the cross section as function of 1 p -1 n and higher contributions are also sketched. The previous results on the fraction of fake events in available experiments in 12C were expanded for the set of studied nuclei. With the increase of mass targets, the nuclear effects in the cross sections were observed and the importance of taking into account fake events in the reactions was noted.

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.

Quantum confinement and magnetic field effects on the electron Landé g factor in GaAs-(Ga,Al)As double quantum wells

NASA Astrophysics Data System (ADS)

Perea, J. Darío; Mejía-Salazar, J. R.; Porras-Montenegro, N.

2011-12-01

Nowadays the spin-related phenomena have attracted great attention for the possible spintronic and optoelectronic applications. The manipulation of the Landé g factor by means of the control of the electron confinement, applied magnetic field and hydrostatic pressure offers the possibility of having a wide range of ways to control single qubit operation and to have pure spin states to guarantee that no losses occur when the electron spins transport information. In this work we have performed a theoretical study of the quantum confinement (geometrical and barrier potential confinements) and growth direction applied magnetic field effects on the conduction-electron effective Landé g factor in GaAs-(Ga,Al)As double quantum wells. Our calculations of the Landé g factor are performed by using the Ogg-McCombe effective Hamiltonian, which includes non-parabolicity and anisotropy effects for the conduction-band electrons. Our theoretical results are given as function of the central barrier widths for different values of the applied magnetic fields. We have found that in this type of heterostructure the geometrical confinement commands the behavior of the electron effective Landé g factor as compared to the effect of the applied magnetic field. Present theoretical reports are in very good agreement with previous experimental and theoretical results.

[Health, environment and nursing. Philosophical and theoretical foundations for the development and validation of a nursing interface terminology. Part III].

PubMed

Juvé-Udina, Maria-Eulàlia

2012-06-01

This manuscript is the third of a triad of papers introducing the philosophical and theoretical approaches that support the development and validation of a nursing interface terminology as a standard vocabulary designed to ease data entry into electronic health records, to produce information and to generate knowledge. To analyze the philosophical and theoretical approaches considered in the development of a new nursing interface terminology called ATIC. Review, analysis and discussion of the main philosophical orientations, high and mid-range theories and nursing scientific literature to develop an interpretative conceptualization of the metaparadigm concepts "Health", "Environment" and "Nursing". In the 2 previous papers the ATIC terminology, its foundation on pragmatism, holism, post-positivism and constructivism and the construction of the meaning for the concept elndividualh is discussed. In this third paper, Health is conceptualized as a multidimensional balance state and the concepts of Partial health status, Disease and Being ill are explored within. The analysis of the Environment theories drives its conceptualization as a group of variables that has the potential to affect health status. In this orientation, Nursing is understood as the scientific discipline focused on the study of health status in the particular environment and experience of the individuals, groups, communities or societies. ATIC terminology is rooted on an eclectic philosophical and theoretical foundation, allowing it to be used from different trends within the totality paradigm.

Psychometric properties of the Spanish Burnout Inventory among staff nurses.

PubMed

Gil-Monte, P R; Manzano-García, G

2015-12-01

The burnout syndrome contributes to the deterioration in the quality of personal life as well as lower quality practice in healthcare personnel. Researchers have been concerned about the psychometric limitations of some previous questionnaires designed to evaluate burnout. The Spanish Burnout Inventory was developed to address the problems associated with other instruments, but it has not yet been validated in staff nurses. This study provides evidence that the Spanish Burnout Inventory has adequate psychometric properties to estimate burnout in staff nurses. The Spanish Burnout Inventory offers a theoretical proposal to explain the different components of burnout. The Spanish Burnout Inventory provides researchers and practitioners with an expanded conceptualization of the burnout syndrome, which can facilitate the diagnosis and treatment of nursing professionals. Researchers have been concerned about the psychometric limitations of the some previous questionnaires designed to evaluate burnout. To address these problems associated with previous instruments, the Spanish Burnout Inventory (SBI) was developed. The instrument has not yet been validated in staff nurses. The purpose of this paper was to evaluate the psychometric properties of the SBI. The sample consisted of 720 staff nurses from two Spanish general hospitals. The instrument is composed of 20 items distributed in four dimensions: Enthusiasm towards the job (five items), Psychological exhaustion (four items), Indolence (six items) and Guilt (five items). Data were subjected to confirmatory factor analysis. To assess the factorial validity of the SBI, four alternative models were tested. Results show that the four-factor model of the SBI has adequate psychometric properties for the study of burnout in staff nurses. This model fitted the data better than the alternative models. The study provides evidence of the adequate psychometric properties of a measure to evaluate burnout in nursing professionals. The SBI proposes a theoretical explanation for the different types of burnout, facilitating the diagnosis and treatment of staff nurses. © 2015 John Wiley & Sons Ltd.

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.

Using the theoretical domains framework to guide the development of a self-management program for individuals with spinal cord injury: Results from a national stakeholder advisory group.

PubMed

Munce, Sarah E P; Allin, Sonya; Wolfe, Dalton L; Anzai, Karen; Linassi, Gary; Noonan, Vanessa K; Jaglal, Susan B

2017-11-01

To determine the implementation considerations for a targeted self-management program for individuals with spinal cord injury (SCI) from the perspective of a national stakeholder advisory group using the Theoretical Domains Framework (TDF) as a guide. Qualitative descriptive approach. Two focus groups held at the 6 th National Spinal Cord Injury Conference (October 2-4 th , 2014) in Toronto, Ontario, Canada. A total of 25 stakeholders from across Canada participated in focus groups or "brainstorming sessions". The stakeholders included 5 clinicians, 14 researchers, 3 policy makers, and 3 individuals with SCI. Not applicable. Not applicable. All 14 theoretical domains were identified in the brainstorming sessions. No new themes or domains were identified. The need to consider the theoretical domains of Knowledge, Skills, Reinforcement, Intentions, Goals (e.g. the readiness of the individual with SCI), Environmental Context and Resources (e.g. considerations for governance and ownership of the program and a business model for sustainability), as well as Social Influences (e.g. issues of privacy and security in the context of on-line delivery) was identified. The current study provides complementary results to our previous series of studies on the implementation considerations for the development of a targeted self-management program for individuals with SCI by emphasizing the health care professional/health policy perspective. It is anticipated that such a program could not only reduce secondary complications and subsequent inappropriate health care use but it may also improve the quality of life for individuals with SCI and their caregivers.

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.

Feedback increases benefits but not costs of retrieval practice: Retrieval-induced forgetting is strength independent.

PubMed

Tempel, Tobias; Frings, Christian

2018-04-01

We examined how the provision of feedback affected two separate effects of retrieval practice: strengthening of practiced information and forgetting of related, unpracticed information. Feedback substantially increased recall of retrieval-practiced items. This unsurprising result shows once again that restudy opportunities boost the benefits of testing. In contrast, retrieval-induced forgetting was unaffected by the manipulation and occurred in equal size with or without feedback. These findings demonstrate strength independence of retrieval-induced forgetting and thus support a theoretical account assuming that an inhibitory mechanism causes retrieval-induced forgetting. According to this theory, inhibition resolves competition that arises during retrieval attempts but is unrelated to the consequences of retrieval practice concerning practiced items. The present results match these assumptions and contradict the theoretical alternative that blocking by strengthened information might explain retrieval-induced forgetting. We discuss our findings against the background of previous studies.

Theories on anxiety in Freud and Melanie Klein. Their metapsychological status.

PubMed

De Bianchedi, E T; Scalozub De Boschan, L; De Cortiñas, L P; De Piccolo, E G

1988-01-01

This paper presents a comparative study of the theories on anxiety formulated by Freud and Melanie Klein, with particular emphasis on the questions of its origin, its meaning for the individual and its function in both theoretical systems. The purpose of this comparative analysis is to offer an instrument which helps frame the theoretical discussions in psychoanalysis in an epistemological context. The authors hold that for Freud anxiety is considered as one more amongst the various manifestations of mental life, which his general theories try to explain, whereas for Melanie Klein anxiety and its destinies occupies a central place in her theories on mental functioning. The differences in both theories, which the authors of this paper describe, especially as to origin, function and meaning of anxiety, respond partially to the different metapsychological points of view with which both authors focus mental life--points of view which they have themselves investigated in a previous paper.

Advanced ab initio relativistic calculations of transition probabilities for some O I and O III emission lines

NASA Astrophysics Data System (ADS)

Nguyen, T. V. B.; Chantler, C. T.; Lowe, J. A.; Grant, I. P.

2014-06-01

This work presents new ab initio relativistic calculations using the multiconfiguration Dirac-Hartree-Fock method of some O I and O III transition lines detected in B-type and Wolf-Rayet stars. Our results are the first able to be presented in both the length and velocity gauges, with excellent gauge convergence. Compared to previous experimental and theoretical uncertainties of up to 50 per cent, our accuracies appear to be in the range of 0.33-5.60 per cent, with gauge convergence up to 0.6 per cent. Similar impressive convergence of the calculated energies is also shown. Two sets of theoretical computations are compared with earlier tabulated measurements. Excellent agreement is obtained with one set of transitions but an interesting and consistent discrepancy exists between the current work and the prior literature, deserving of future experimental studies.

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.

Plasmon-enhanced optical bending and heating on V-shaped deformation of gold nanorod

NASA Astrophysics Data System (ADS)

Liaw, Jiunn-Woei; Huang, Cheng-Wei; Huang, Mao-Chang; Kuo, Mao-Kuen

2018-01-01

The plasmon-enhanced optical bending and heating on the V-shaped deformation of a straight gold nanorod (GNR), irradiated by a linear polarized light at the longitudinal surface plasmon resonance, are studied theoretically to explain the finding in previous experiment. Multiple multipole method is employed to calculate the optical load and heating numerically, and an elastic beam model is used to analyze the bending moment and stress in the GNR theoretically. According to our analysis, we think, first, the plasmonic heating softens the GNR to reduce the yield strength of gold, and the non-uniform optical load induces a maximum bending moment at the middle cross section of a freestanding GNR. Then an irreversible breakpoint of the plastic hinge at the middle of GNR is developed to form a V-shaped GNR. The photothermal deformation of V-shaped GNR involving multidisciplinary interplay is worth for further investigation.

Effect of Electric Field Gradient on Sub-nanometer Spatial Resolution of Tip-enhanced Raman Spectroscopy

PubMed Central

Meng, Lingyan; Yang, Zhilin; Chen, Jianing; Sun, Mengtao

2015-01-01

Tip-enhanced Raman spectroscopy (TERS) with sub-nanometer spatial resolution has been recently demonstrated experimentally. However, the physical mechanism underlying is still under discussion. Here we theoretically investigate the electric field gradient of a coupled tip-substrate system. Our calculations suggest that the ultra-high spatial resolution of TERS can be partially attributed to the electric field gradient effect owning to its tighter spatial confinement and sensitivity to the infrared (IR)-active of molecules. Particularly, in the case of TERS of flat-lying H2TBPP molecules,we find the electric field gradient enhancement is the dominating factor for the high spatial resolution, which qualitatively coincides with previous experimental report. Our theoretical study offers a new paradigm for understanding the mechanisms of the ultra-high spatial resolution demonstrated in tip-enhanced spectroscopy which is of importance but neglected. PMID:25784161

Synthesis and characterization of a series of isoniazid hydrazones. Spectroscopic and theoretical study

NASA Astrophysics Data System (ADS)

Ferraresi-Curotto, Verónica; Echeverría, Gustavo A.; Piro, Oscar E.; Pis-Diez, Reinaldo; González-Baró, Ana C.

2017-04-01

A family of hydrazones of isoniazid and a group of hydroxybenzalaldehydes (vanillin, 5-bromovanillin, 5-chlorosalicylaldehyde and 5-bromosalicylaldehyde) were obtained and fully characterized. The results, including theoretical data, are comparatively analyzed along with the already reported hydrazone of o-vanillin. The crystal structures of three compounds were determined. The hydrazones obtained from halogenated aldehydes are isomorphic and chiral to each other. Structures are further stabilized by (pyr)NH+⋯Cl- and OwH⋯Cl- bonds. The vanillin hydrazone shows a conformer that differs from the previously reported. Neighboring molecules are linked to each other through OH⋯N(pyr) bonds, giving rise to a nearly planar polymeric structure. The conformational space was searched and geometries were optimized both in the gas phase and including solvent effects by DFT. Results are extended to describe the 5-bromovanillin hydrazone. FTIR, NMR and electronic spectra were measured and assigned with the help of computational calculations.

Interstellar Polycyclic Aromatic Compounds and Astrophysics

NASA Technical Reports Server (NTRS)

Hudgins, Douglas M.; DeVincenzi, Donald (Technical Monitor)

2001-01-01

Over the past fifteen years, thanks to significant, parallel advancements in observational, experimental, and theoretical techniques, tremendous strides have been made in our understanding of the role polycyclic aromatic compounds (PAC) in the interstellar medium (ISM). Twenty years ago, the notion of an abundant population of large, carbon rich molecules in the ISM was considered preposterous. Today, the unmistakable spectroscopic signatures of PAC - shockingly large molecules by previous interstellar chemistry standards - are recognized throughout the Universe. In this paper, we will examine the interstellar PAC model and its importance to astrophysics, including: (1) the evidence which led to inception of the model; (2) the ensuing laboratory and theoretical studies of the fundamental spectroscopic properties of PAC by which the model has been refined and extended; and (3) a few examples of how the model is being exploited to derive insight into the nature of the interstellar PAC population.

Traumatogenic Processes and Pathways to Mental Health Outcomes for Sexual Minorities Exposed to Bias Crime Information.

PubMed

Lannert, Brittany K

2015-07-01

Vicarious traumatization of nonvictim members of communities targeted by bias crimes has been suggested by previous qualitative studies and often dominates public discussion following bias events, but proximal and distal responses of community members have yet to be comprehensively modeled, and quantitative research on vicarious responses is scarce. This comprehensive review integrates theoretical and empirical literatures in social, clinical, and physiological psychology in the development of a model of affective, cognitive, and physiological responses of lesbian, gay, and bisexual individuals upon exposure to information about bias crimes. Extant qualitative research in vicarious response to bias crimes is reviewed in light of theoretical implications and methodological limitations. Potential pathways to mental health outcomes are outlined, including accumulative effects of anticipatory defensive responding, multiplicative effects of minority stress, and putative traumatogenic physiological and cognitive processes of threat. Methodological considerations, future research directions, and clinical implications are also discussed. © The Author(s) 2014.

Eyewitness performance in cognitive and structured interviews.

PubMed

Memon, A; Wark, L; Holley, A; Bull, R; Koehnken, G

1997-09-01

This paper addresses two methodological and theoretical questions relating to the Cognitive Interview (CI), which previous research has found to increase witness recall in interviews. (1) What are the effects of the CI mnemonic techniques when communication techniques are held constant? (2) How do trained interviewers compare with untrained interviewers? In this study, witnesses (college students) viewed a short film clip of a shooting and were questioned by interviewers (research assistants) trained in conducting the CI or a Structured Interview (SI)--similar to the CI except for the "cognitive" components--or by untrained interviewers (UI). The CI and SI groups recalled significantly more correct information compared to the UI group. However they also reported more errors and confabulated details. Theoretical and practical implications of the results are discussed in terms of precisely identifying the CI facilitatory effects and consequent good practice in the forensic setting.

Middle Childhood Attachment Strategies: validation of an observational measure.

PubMed

Brumariu, Laura E; Giuseppone, Kathryn R; Kerns, Kathryn A; Van de Walle, Magali; Bureau, Jean-François; Bosmans, Guy; Lyons-Ruth, Karlen

2018-02-05

The purpose of this study was to assess behavioral manifestations of attachment in middle childhood, and to evaluate their relations with key theoretical correlates. The sample consisted of 87 children (aged 10-12 years) and their mothers. Dyads participated in an 8-min videotaped discussion of a conflict in their relationships, later scored with the Middle Childhood Attachment Strategies Coding System (MCAS) for key features of all child attachment patterns described in previous literature (secure, ambivalent, avoidant, disorganized-disoriented, caregiving/role-confused, hostile/punitive). To assess validity, relations among MCAS dimensions and other measures of attachment, parenting, and psychological adjustment were evaluated. Results provide preliminary evidence for the psychometric properties of the MCAS in that its behaviorally assessed patterns were associated with theoretically relevant constructs, including maternal warmth/acceptance and psychological control, and children's social competence, depression, and behavioral problems. The MCAS opens new grounds for expanding our understanding of attachment and its outcomes in middle childhood.

Bio-inspired group modeling and analysis for intruder detection in mobile sensor/robotic networks.

PubMed

Fu, Bo; Xiao, Yang; Liang, Xiannuan; Philip Chen, C L

2015-01-01

Although previous bio-inspired models have concentrated on invertebrates (such as ants), mammals such as primates with higher cognitive function are valuable for modeling the increasingly complex problems in engineering. Understanding primates' social and communication systems, and applying what is learned from them to engineering domains is likely to inspire solutions to a number of problems. This paper presents a novel bio-inspired approach to determine group size by researching and simulating primate society. Group size does matter for both primate society and digital entities. It is difficult to determine how to group mobile sensors/robots that patrol in a large area when many factors are considered such as patrol efficiency, wireless interference, coverage, inter/intragroup communications, etc. This paper presents a simulation-based theoretical study on patrolling strategies for robot groups with the comparison of large and small groups through simulations and theoretical results.

Theoretical study of the ionospheric plasma cave in the equatorial ionization anomaly region

NASA Astrophysics Data System (ADS)

Chen, Yu-Tsung; Lin, C. H.; Chen, C. H.; Liu, J. Y.; Huba, J. D.; Chang, L. C.; Liu, H.-L.; Lin, J. T.; Rajesh, P. K.

2014-12-01

This paper investigates the physical mechanism of an unusual equatorial electron density structure, plasma cave, located underneath the equatorial ionization anomaly by using theoretical simulations. The simulation results provide important new understanding of the dynamics of the equatorial ionosphere. It has been suggested previously that unusual E>⇀×B>⇀ drifts might be responsible for the observed plasma cave structure, but model simulations in this paper suggest that the more likely cause is latitudinal meridional neutral wind variations. The neutral winds are featured by two divergent wind regions at off-equator latitudes and a convergent wind region around the magnetic equator, resulting in plasma divergences and convergence, respectively, to form the plasma caves structure. The tidal-decomposition analysis further suggests that the cave related meridional neutral winds and the intensity of plasma cave are highly associated with the migrating terdiurnal tidal component of the neutral winds.

Theoretical study of polarization insensitivity of carrier-induced refractive index change of multiple quantum well.

PubMed

Miao, Qingyuan; Zhou, Qunjie; Cui, Jun; He, Ping-An; Huang, Dexiu

2014-12-29

Characteristics of polarization insensitivity of carrier-induced refractive index change of 1.55 μm tensile-strained multiple quantum well (MQW) are theoretically investigated. A comprehensive MQW model is proposed to effectively extend the application range of previous models. The model considers the temperature variation as well as the nonuniform distribution of injected carrier in MQW. Tensile-strained MQW is expected to achieve polarization insensitivity of carrier-induced refractive index change over a wide wavelength range as temperature varies from 0°C to 40°C, while the magnitude of refractive index change keeps a large value (more than 3 × 10^-3). And that the polarization insensitivity of refractive index change can maintain for a wide range of carrier concentration. Multiple quantum well with different material and structure parameters is anticipated to have the similar polarization insensitivity of refractive index change, which shows the design flexibility.

Viscoelastic Transient of Confined Red Blood Cells

PubMed Central

Prado, Gaël; Farutin, Alexander; Misbah, Chaouqi; Bureau, Lionel

2015-01-01

The unique ability of a red blood cell to flow through extremely small microcapillaries depends on the viscoelastic properties of its membrane. Here, we study in vitro the response time upon flow startup exhibited by red blood cells confined into microchannels. We show that the characteristic transient time depends on the imposed flow strength, and that such a dependence gives access to both the effective viscosity and the elastic modulus controlling the temporal response of red cells. A simple theoretical analysis of our experimental data, validated by numerical simulations, further allows us to compute an estimate for the two-dimensional membrane viscosity of red blood cells, ηmem2D ∼ 10−7 N⋅s⋅m−1. By comparing our results with those from previous studies, we discuss and clarify the origin of the discrepancies found in the literature regarding the determination of ηmem2D, and reconcile seemingly conflicting conclusions from previous works. PMID:25954871

The more friends, the less political talk? Predictors of Facebook discussions among college students.

PubMed

Jang, S Mo; Lee, Hoon; Park, Yong Jin

2014-05-01

Although previous research has indicated that Facebook users, especially young adults, can cultivate their civic values by talking about public matters with their Facebook friends, little research has examined the predictors of political discussion on Facebook. Using survey data from 442 college students in the United States, this study finds that individual characteristics and network size influence college students' expressive behavior on Facebook related to two controversial topics: gay rights issues and politics. In line with previous studies about offline political discussion, the results show that conflict avoidance and ambivalence about target issues are negatively associated with Facebook discussions. Perhaps the most interesting finding is that users who have a large number of Facebook friends are less likely to talk about politics and gay rights issues on Facebook despite having access to increasing human and information resources. Theoretical implications of these findings and future directions are addressed.

Theoretical gain optimization studies in 10. 6. mu. m CO/sub 2/--N/sub 2/ gasdynamic lasers. IV. Further results of parametric study

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

Reddy, K.P.J.; Reddy, N.M.

1984-01-01

Based on a method proposed by Reddy and Shanmugasundaram, similar solutions have been obtained for the steady inviscid quasi-one-dimensional nonreacting flow in the supersonic nozzle of CO/sub 2/--N/sub 2/--H/sub 2/O and CO/sub 2/--N/sub 2/--He gasdynamic laser systems. Instead of using the correlations of a nonsimilar function N/sub S/ for pure N/sub 2/ gas, as is done in previous publications, the N/sub S/ correlations are computed here for the actual gas mixtures used in the gasdynamic lasers. Optimum small-signal optical gain and the corresponding optimum values of the operating parameters like reservoir pressure and temperature and nozzle area ratio are computedmore » using these correlations. The present results are compared with the previous results and the main differences are discussed.« less

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.

Rocket study of auroral processes

NASA Technical Reports Server (NTRS)

Arnoldy, R. L.

1981-01-01

Abstracts are presented of previously published reports analyzing data from three Echo 3 rocket flights. Particle experiments designed for the Terrier-Malmute flight, the Echo 5 flight, and the Norwegian Corbier Ferdinand 50 flight are described and their flight performance evaluated. Theoretical studies on auroral particle precipitation are reviewed according to observations made in three regions of space: (1) the region accessible to rockets and low altitude satellites (few hundred to a few thousand kilometers); (2) the region extending from 4000 to 8000 km (S3-3 satellite range); and (3) near the equatorial plane (geosynchronous satellite measurements). Questions raised about auroral arc formation are considered.

Propulsion of a flat tin target with pulsed CO2 laser radiation: measurements using a ballistic pendulum

NASA Astrophysics Data System (ADS)

Lakatosh, B. V.; Abramenko, D. B.; Ivanov, V. V.; Medvedev, V. V.; Krivtsun, V. M.; Koshelev, K. N.; Yakunin, A. M.

2018-01-01

The recoil momentum transfer produced by irradiation of a flat tin (Sn) target with pulses of high-power CO2 laser with intensity ranging from 107 to 1010 W cm-2 has been studied. Momentum measurements were performed using a ballistic pendulum, capable of measuring momenta as small as 0.001 g · cm s-1 . It has been established that the recoil momentum monotonically increases with the laser energy and asymptotically reaches the power scaling law p ∼ Iα with α = 0.96 +/- 0.07 . Results are compared with previously published theoretical studies.

Event-related potential indices of workload in a single task paradigm

NASA Technical Reports Server (NTRS)

Horst, R. L.; Munson, R. C.; Ruchkin, D. S.

1984-01-01

Many previous studies of both behavioral and physiological correlates of cognitive workload have burdened subjects with a contrived secondary task in order to assess the workload of a primary task. The present study investigated event-related potential (ERP) indices of workload in a single task paradigm. Subjects monitored changing digital readouts for values that went 'out-of-bounds'. The amplitude of a long-latency positivity in the ERPs elicited by readout changes increased with the number of readouts being monitored. This effect of workload on ERPs is reported, along with plans for additional analyses to address theoretical implications.

Cyclic Disilylated and Digermylated Germylenes

PubMed Central

2013-01-01

The preparation of triethylphosphine adducts of cyclic disilylated or digermylated germylenes was achieved by reaction of 1,4-dipotassio-1,1,4,4-tetrakis(trimethylsilyl)tetramethyltetrasilane with GeBr2·(dioxane) and PEt3. Phosphine abstraction with B(C6F5)3 allowed formation of the base-free germylenes, which undergo 1,2-trimethylsilyl shifts to the germylene atom to form the respective silagermene or digermene, which further dimerize in [2 + 2] cycloadditions to tricyclic compounds. The reasons responsible for the germylenes’ completely different reactivities in comparison to the previously studied analogous stannylenes and plumbylenes were elucidated in a theoretical study. PMID:23874054

Positive Relationship Between Individuality and Social Identity in Virtual Communities: Self-Categorization and Social Identification as Distinct Forms of Social Identity.

PubMed

Guo, Tian-Chao; Li, Xuemei

2016-11-01

Previous studies have reported conflicting results regarding the relationship between individuality and social identity, indicating this area requires further examination. This study constructed a research model to help understand the positive role of individualized behavior and social identity in virtual communities. The results of an online survey conducted to assess our theoretical research model indicated that social identity can be expressed in two ways: self-categorization and social identification. Furthermore, we found individualized behavior was positively related to social identification, while self-categorization was directly derived from social identification.

[Therapeutic nursing: a systematic review].

PubMed

Lautenschläger, S; Müller, C; Immenschuh, U; Muser, J; Behrens, J

2014-08-01

For some years therapeutic service catalogues have been established in medical rehabilitation which have broadened our previous understanding of nursing actions. Currently, therapeutic nursing plays a prominent role in neurological early rehabilitation because the operations and procedures coding system (OPS) 8-552 within the DRG-System (Diagnosis Related Groups) states that therapeutic nursing must be carried out by specially trained nursing personnel. This requirement leads to inconsistencies in nursing practice and the medical service of the health insurance (MDK) since a definition of therapeutic nursing is lacking. A previous review of therapeutic nursing in 2003 focused primarily on the development of the therapeutic nursing role, but not on therapeutic nursing itself. The following article contains the first systematic review of the current state of research regarding a definition of therapeutic nursing. For this purpose, a systematic study was conducted to examine if there are, nationally or internationally, any definitions of therapeutic nursing and to identify what the therapeutic aspects of nursing are. The research included following database; Medline, Cinahl and Embase. Additionally, a research by hand of several German journals as well as textbooks and specialized literature was carried out. 5 studies were selected which define the term "therapeutic nursing". Among these are one review, one primary study, one theoretical discussion and one dissertation. Further twenty four studies were identified which do not define the term, but are closely related to the subject, and use or characterize the term in various contexts. The publications examined provided indications of duties, interventions and roles nurses should perform, but not how to carry these out, nor what is therapeutic about the nursing. At the same time, the low number of studies reveals that therapeutic nursing has barely been examined and demonstrates the lack of theoretically grounding through nursing science. © Georg Thieme Verlag KG Stuttgart · New York.

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.

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.

Flow and axial dispersion in a sinusoidal-walled tube: Effects of inertial and unsteady flows

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

Richmond, Marshall C.; Perkins, William A.; Scheibe, Timothy D.

2013-12-01

Dispersion in porous media flows has been the subject of much experimental, theoretical and numerical study. Here we consider a wavy-walled tube (a three-dimensional tube with sinusoidally-varying diameter) as a simplified conceptualization of flow in porous media, where constrictions represent pore throats and expansions pore bodies. A theoretical model for effective (macroscopic) longitudinal dispersion in this system has been developed by volume averaging the microscale velocity field. Direct numerical simulation using computational fluid dynamics (CFD) methods was used to compute velocity fields by solving the Navier-Stokes equations, and also to numerically solve the volume averaging closure problem, for a rangemore » of Reynolds numbers (Re) spanning the low-Re to inertial flow regimes, including one simulation at Re = 449 for which unsteady flow was observed. Dispersion values were computed using both the volume averaging solution and a random walk particle tracking method, and results of the two methods were shown to be consistent. Our results are compared to experimental measurements of dispersion in porous media and to previous theoretical results for the low-Re, Stokes flow regime. In the steady inertial regime we observe an power-law increase in effective longitudinal dispersion (DL) with Re, consistent with previous results. This rapid rate of increase is caused by trapping of solute in expansions due to flow separation (eddies). For the unsteady case (Re = 449), the rate of increase of DL with Re was smaller than that observed at lower Re. Velocity fluctuations in this regime lead to increased rates of solute mass transfer between the core flow and separated flow regions, thus diminishing the amount of tailing caused by solute trapping in eddies and thereby reducing longitudinal dispersion.« less

A model of self-directed learning in internal medicine residency: a qualitative study using grounded theory.

PubMed

Sawatsky, Adam P; Ratelle, John T; Bonnes, Sara L; Egginton, Jason S; Beckman, Thomas J

2017-02-02

Existing theories of self-directed learning (SDL) have emphasized the importance of process, personal, and contextual factors. Previous medical education research has largely focused on the process of SDL. We explored the experience with and perception of SDL among internal medicine residents to gain understanding of the personal and contextual factors of SDL in graduate medical education. Using a constructivist grounded theory approach, we conducted 7 focus group interviews with 46 internal medicine residents at an academic medical center. We processed the data by using open coding and writing analytic memos. Team members organized open codes to create axial codes, which were applied to all transcripts. Guided by a previous model of SDL, we developed a theoretical model that was revised through constant comparison with new data as they were collected, and we refined the theory until it had adequate explanatory power and was appropriately grounded in the experiences of residents. We developed a theoretical model of SDL to explain the process, personal, and contextual factors affecting SDL during residency training. The process of SDL began with a trigger that uncovered a knowledge gap. Residents progressed to formulating learning objectives, using resources, applying knowledge, and evaluating learning. Personal factors included motivations, individual characteristics, and the change in approach to SDL over time. Contextual factors included the need for external guidance, the influence of residency program structure and culture, and the presence of contextual barriers. We developed a theoretical model of SDL in medical education that can be used to promote and assess resident SDL through understanding the process, person, and context of SDL.

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.

An integrated organisation-wide data quality management and information governance framework: theoretical underpinnings.

PubMed

Liaw, Siaw-Teng; Pearce, Christopher; Liyanage, Harshana; Liaw, Gladys S S; de Lusignan, Simon

2014-01-01

Increasing investment in eHealth aims to improve cost effectiveness and safety of care. Data extraction and aggregation can create new data products to improve professional practice and provide feedback to improve the quality of source data. A previous systematic review concluded that locally relevant clinical indicators and use of clinical record systems could support clinical governance. We aimed to extend and update the review with a theoretical framework. We searched PubMed, Medline, Web of Science, ABI Inform (Proquest) and Business Source Premier (EBSCO) using the terms curation, information ecosystem, data quality management (DQM), data governance, information governance (IG) and data stewardship. We focused on and analysed the scope of DQM and IG processes, theoretical frameworks, and determinants of the processing, quality assurance, presentation and sharing of data across the enterprise. There are good theoretical reasons for integrated governance, but there is variable alignment of DQM, IG and health system objectives across the health enterprise. Ethical constraints exist that require health information ecosystems to process data in ways that are aligned with improving health and system efficiency and ensuring patient safety. Despite an increasingly 'big-data' environment, DQM and IG in health services are still fragmented across the data production cycle. We extend current work on DQM and IG with a theoretical framework for integrated IG across the data cycle. The dimensions of this theory-based framework would require testing with qualitative and quantitative studies to examine the applicability and utility, along with an evaluation of its impact on data quality across the health enterprise.

A Generalized Information Theoretical Model for Quantum Secret Sharing

NASA Astrophysics Data System (ADS)

Bai, Chen-Ming; Li, Zhi-Hui; Xu, Ting-Ting; Li, Yong-Ming

2016-11-01

An information theoretical model for quantum secret sharing was introduced by H. Imai et al. (Quantum Inf. Comput. 5(1), 69-80 2005), which was analyzed by quantum information theory. In this paper, we analyze this information theoretical model using the properties of the quantum access structure. By the analysis we propose a generalized model definition for the quantum secret sharing schemes. In our model, there are more quantum access structures which can be realized by our generalized quantum secret sharing schemes than those of the previous one. In addition, we also analyse two kinds of important quantum access structures to illustrate the existence and rationality for the generalized quantum secret sharing schemes and consider the security of the scheme by simple examples.

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.

"Just another pretty face": a multidimensional scaling approach to face attractiveness and variability.

PubMed

Potter, Timothy; Corneille, Olivier; Ruys, Kirsten I; Rhodes, Ginwan

2007-04-01

Findings on both attractiveness and memory for faces suggest that people should perceive more similarity among attractive than among unattractive faces. A multidimensional scaling approach was used to test this hypothesis in two studies. In Study 1, we derived a psychological face space from similarity ratings of attractive and unattractive Caucasian female faces. In Study 2, we derived a face space for attractive and unattractive male faces of Caucasians and non-Caucasians. Both studies confirm that attractive faces are indeed more tightly clustered than unattractive faces in people's psychological face spaces. These studies provide direct and original support for theoretical assumptions previously made in the face space and face memory literatures.

Anastasia Might Still Be Alive, But the Monarchy Is Dead.

ERIC Educational Resources Information Center

Eisner, Elliot W.

1983-01-01

Criticizes the previous article on positivism in educational thought by Denis Phillips. Takes issue with Phillips' assumption that, at the base of theoretical disputes and inquiry, there exists a final and absolute truth. (GC)

ILS Scattering Problem and Signal Detection Model

DOT National Transportation Integrated Search

1972-02-01

The construction of a mathematical model of The Instrument Landing System (ILS) multipath problem was undertaken. This report presents the theoretical basis for any such model, a critique of previous models and newly achieve developments in ILS model...

Analyzing the Effectiveness of the Self-organized Public-Key Management System on MANETs under the Lack of Cooperation and the Impersonation Attacks

NASA Astrophysics Data System (ADS)

da Silva, Eduardo; Dos Santos, Aldri Luiz; Lima, Michele N.; Albini, Luiz Carlos Pessoa

Among the key management schemes for MANETs, the Self-Organized Public-Key Management System (PGP-Like) is the main chaining-based key management scheme. It is fully self-organized and does not require any certificate authority. Two kinds of misbehavior attacks are considered to be great threats to PGP-Like: lack of cooperation and impersonation attacks. This work quantifies the impact of such attacks on the PGP-Like. Simulation results show that PGP-Like was able to maintain its effectiveness when submitted to the lack of cooperation attack, contradicting previously theoretical results. It correctly works even in the presence of more than 60% of misbehaving nodes, although the convergence time is affected with only 20% of misbehaving nodes. On the other hand, PGP-Like is completely vulnerable to the impersonation attack. Its functionality is affected with just 5% of misbehaving nodes, confirming previously theoretical results.

Context and clinical reasoning : Understanding the medical student perspective.

PubMed

McBee, Elexis; Ratcliffe, Temple; Schuwirth, Lambert; O'Neill, Daniel; Meyer, Holly; Madden, Shelby J; Durning, Steven J

2018-04-27

Studies have shown that a physician's clinical reasoning performance can be influenced by contextual factors. We explored how the clinical reasoning performance of medical students was impacted by contextual factors in order to expand upon previous findings in resident and board certified physicians. Using situated cognition as the theoretical framework, our aim was to evaluate the verbalized clinical reasoning processes of medical students in order to describe what impact the presence of contextual factors has on their reasoning performance. Seventeen medical student participants viewed three video recordings of clinical encounters portraying straightforward diagnostic cases in internal medicine with explicit contextual factors inserted. Participants completed a computerized post-encounter form as well as a think-aloud protocol. Three authors analyzed verbatim transcripts from the think-aloud protocols using a constant comparative approach. After iterative coding, utterances were analyzed and grouped into categories and themes. Six categories and ten associated themes emerged, which demonstrated overlap with findings from previous studies in resident and attending physicians. Four overlapping categories included emotional disturbances, behavioural inferences about the patient, doctor-patient relationship, and difficulty with closure. Two new categories emerged to include anchoring and misinterpretation of data. The presence of contextual factors appeared to impact clinical reasoning performance in medical students. The data suggest that a contextual factor can be innate to the clinical scenario, consistent with situated cognition theory. These findings build upon our understanding of clinical reasoning performance from both a theoretical and practical perspective.

The compression of a heavy floating elastic film.

PubMed

Jambon-Puillet, Etienne; Vella, Dominic; Protière, Suzie

2016-11-23

We study the effect of film density on the uniaxial compression of thin elastic films at a liquid-fluid interface. Using a combination of experiments and theory, we show that dense films first wrinkle and then fold as the compression is increased, similarly to what has been reported when the film density is neglected. However, we highlight the changes in the shape of the fold induced by the film's own weight and extend the model of Diamant and Witten [Phys. Rev. Lett., 2011, 107, 164302] to understand these changes. In particular, we suggest that it is the weight of the film that breaks the up-down symmetry apparent from previous models, but elusive experimentally. We then compress the film beyond the point of self-contact and observe a new behaviour dependent on the film density: the single fold that forms after wrinkling transitions into a closed loop after self-contact, encapsulating a cylindrical droplet of the upper fluid. The encapsulated drop either causes the loop to bend upward or to sink deeper as the compression is increased, depending on the relative buoyancy of the drop-film combination. We propose a model to qualitatively explain this behaviour. Finally, we discuss the relevance of the different buckling modes predicted in previous theoretical studies and highlight the important role of surface tension in the shape of the fold that is observed from the side-an aspect that is usually neglected in theoretical analyses.

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.

Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects.

PubMed

Rangel, Cipriano; Espinosa-Garcia, Joaquin

2018-02-07

Within the Born-Oppenheimer approximation a full-dimensional analytical potential energy surface, PES-2017, was developed for the gas-phase hydrogen abstraction reaction between the chlorine atom and ethane, which is a nine body system. This surface presents a valence-bond/molecular mechanics functional form dependent on 60 parameters and is fitted to high-level ab initio calculations. This reaction presents little exothermicity, -2.30 kcal mol -1 , with a low height barrier, 2.44 kcal mol -1 , and intermediate complexes in the entrance and exit channels. We found that the energetic description was strongly dependent on the ab initio level used and it presented a very flat topology in the entrance channel, which represents a theoretical challenge in the fitting process. In general, PES-2017 reproduces the ab initio information used as input, which is merely a test of self-consistency. As a first test of the quality of the PES-2017, a theoretical kinetics study was performed in the temperature range 200-1400 K using two approaches, i.e. the variational transition-state theory and quasi-classical trajectory calculations, with spin-orbit effects. The rate constants show reasonable agreement with experiments in the whole temperature range, with the largest differences at the lowest temperatures, and this behaviour agrees with previous theoretical studies, thus indicating the inherent difficulties in the theoretical simulation of the kinetics of the title reaction. Different sources of error were analysed, such as the limitations of the PES and theoretical methods, recrossing effects, and the tunnelling effect, which is negligible in this reaction, and the manner in which the spin-orbit effects were included in this non-relativistic study. We found that the variation of spin-orbit coupling along the reaction path, and the influence of the reactivity of the excited Cl( 2 P 1/2 ) state, have relative importance, but do not explain the whole discrepancy. Finally, the activation energy and the kinetics isotope effects reproduce the experimental information.

Global Analysis of a-, b-, and c-Type Transitions Involving Tunneling Components of K= 0 and 1 States of the Methanol Dimer

NASA Astrophysics Data System (ADS)

Lugez, C. L.; Lovas, F. J.; Hougen, J. T.; Ohashi, N.

1999-03-01

Spectral data onK= 0 and 1 levels of the methanol dimer available from previous and present Fourier transform microwave measurements have been interpreted globally, using a group-theoretically derived effective Hamiltonian and corresponding tunneling matrix elements to describe the splittings arising from a large number of tunneling motions. In the present work, 302 new measurements (40K= 1-1 and 262K= 1-0 transitions) were added to the previous data set to give a total of 584 assigned transitions withJ≤ 6. As a result of the rather completeK= 0, 1 data set forJ≤ 4, the lone-pair exchange tunneling splittings were obtained experimentally. Matrix element expansions inJ(J+ 1) used in the previousK= 0 formalism were modified to apply toK> 0, essentially by making a number of real coefficients complex, as required by the generalized internal-axis-method tunneling formalism. To reduce the number of adjustable parameters to an acceptable level in both theK= 0 andK= 1 effective Hamiltonians (used in separateK= 0 andK= 1 least-squares fits), a rather large number of assumptions concerning probably negligible parameters had to be made. The present fitting results should thus be considered as providing assurance of the group-theoretical line assignments as well as a nearly quantitative global interpretation of the tunneling splittings, even though they do not yet unambiguously determine the relative contributions from all 25 group-theoretically inequivalent tunneling motions in this complex, nor do they permit quantitative extrapolation to higherKlevels.

A Theoretical Analysis of a New Polarimetric Optical Scheme for Glucose Sensing in the Human Eye

NASA Technical Reports Server (NTRS)

Rovati, Luigi L.; Boeckle, Stefan; Ansari, Rafat R.; Salzman, Jack A. (Technical Monitor)

2002-01-01

The challenging task of in vivo polarimetric glucose sensing is the identification and selection of a scheme to optically access the aqueous humor of the human eye. In this short communication an earlier approach of Cote et al. is theoretically compared with our new optical scheme. Simulations of the new scheme using the eye model of Navarro, suggest that the new optical geometry can overcome the limitations of the previous approach for in vivo measurements of glucose in a human eye.

One-year retention of general and sequence-specific skills in a probabilistic, serial reaction time task.

PubMed

Romano, Jennifer C; Howard, James H; Howard, Darlene V

2010-05-01

Procedural skills such as riding a bicycle and playing a musical instrument play a central role in daily life. Such skills are learned gradually and are retained throughout life. The present study investigated 1-year retention of procedural skill in a version of the widely used serial reaction time task (SRTT) in young and older motor-skill experts and older controls in two experiments. The young experts were college-age piano and action video-game players, and the older experts were piano players. Previous studies have reported sequence-specific skill retention in the SRTT as long as 2 weeks but not at 1 year. Results indicated that both young and older experts and older non-experts revealed sequence-specific skill retention after 1 year with some evidence that general motor skill was retained as well. These findings are consistent with theoretical accounts of procedural skill learning such as the procedural reinstatement theory as well as with previous studies of retention of other motor skills.

The non-evaluative circumplex of personality adjectives.

PubMed

Saucier, G; Ostendorf, F; Peabody, D

2001-08-01

In judgments about personality, descriptive and evaluative aspects are ordinarily combined; separating them can be important both theoretically and practically. Study 1 showed that two similar descriptive factors can be found in analyses of personality terms, selected independently in English and in German and using different methods to control for evaluation. The factors relate to two pairs of independent axes suggested by previous work: Assertive-Unassertive and Tight-Loose, or alternatively, Interactional Orientation (Extraversion-Introversion) and Affective Orientation. These two pairs of axes are shown to be rotations of each other, and to form the prime non-evaluative circumplex. As in previous studies, non-evaluative scales elicited higher levels of self-peer agreement than did more typical evaluation-confounded scales. Study 2 showed that adjective scales for the octants of this circumplex have circular ordering, can fit even very stringent constraints of a circumplex model, have mild to strong isomorphism with the interpersonal circumplex, but represent somewhat broader constructs, and are systematically related to the Big Five and the Big Three personality factors.

Vibrational wave packet dynamics in NaK: The A 1Σ+ state

NASA Astrophysics Data System (ADS)

Andersson, L. Mauritz; Karlsson, Hans O.; Goscinski, Osvaldo; Berg, Lars-Erik; Beutter, Matthias; Hansson, Tony

1999-02-01

A combined experimental and theoretical study of the vibrational wave packet dynamics for the NaK molecule in the A 1Σ+ state is presented. The experiment utilises a 790 nm one-colour femtosecond pump-probe scheme with detection of a previously not reported dissociation pathway of the 3 1Π+ state, leading to the Na(3p)+K(4s) product channel. The dissociation is suggested to proceed via either collisionally mediated processes or a molecular cascading process via the 4 1Σ+ state, which crosses several states correlating to the Na(3p)+K(4s) limit. Time-dependent quantum mechanical calculations are used for studying the dynamics in detail. Simulations are performed both for 790 nm and for 766 nm, to relate also to earlier studies. The previous interpretations of the probe processes are revised. Inclusion of vibrational and rotational temperature effects are shown to be crucial for explaining the shape of the signal and the vibrational period, and leads to excellent agreement with the experiments.

Fenetylline: new results on pharmacology, metabolism and kinetics.

PubMed

Nickel, B; Niebch, G; Peter, G; von Schlichtegroll, A; Tibes, U

1986-06-01

In the fenetylline molecule, theophylline is covalently linked with amphetamine via an alkyl chain. The inclusion of amphetamine and results from early metabolic studies have led to speculation that fenetylline may be merely a prodrug for amphetamine and/or theophylline. Although previous studies are not consistent with this hypothesis, additional studies were conducted to comparatively evaluate the profiles of activity exhibited by fenetylline and its two postulated primary metabolites, (+/-)-amphetamine and theophylline. Investigations were also initiated using newly developed high pressure liquid chromatography (HPLC) techniques to further characterize the metabolic pattern that fenetylline undergoes and to examine the relationship between plasma pharmacokinetics and the pharmacodynamic actions of the drug. Fenetylline inhibits activity associated with amphetamine in certain test systems, an effect similar to that previously observed with fenfluramine. Only small amounts of the amphetamine theoretically available in the fenetylline molecule are released. Pharmacodynamic activity associated with fenetylline administration is more closely tied to plasma levels of the parent compound than to any (+/-)-amphetamine produced.

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

The impact of cloud vertical profile on liquid water path retrieval based on the bispectral method: A theoretical study based on large-eddy simulations of shallow marine boundary layer clouds.

PubMed

Miller, Daniel J; Zhang, Zhibo; Ackerman, Andrew S; Platnick, Steven; Baum, Bryan A

2016-04-27

Passive optical retrievals of cloud liquid water path (LWP), like those implemented for Moderate Resolution Imaging Spectroradiometer (MODIS), rely on cloud vertical profile assumptions to relate optical thickness ( τ ) and effective radius ( r e ) retrievals to LWP. These techniques typically assume that shallow clouds are vertically homogeneous; however, an adiabatic cloud model is plausibly more realistic for shallow marine boundary layer cloud regimes. In this study a satellite retrieval simulator is used to perform MODIS-like satellite retrievals, which in turn are compared directly to the large-eddy simulation (LES) output. This satellite simulator creates a framework for rigorous quantification of the impact that vertical profile features have on LWP retrievals, and it accomplishes this while also avoiding sources of bias present in previous observational studies. The cloud vertical profiles from the LES are often more complex than either of the two standard assumptions, and the favored assumption was found to be sensitive to cloud regime (cumuliform/stratiform). Confirming previous studies, drizzle and cloud top entrainment of dry air are identified as physical features that bias LWP retrievals away from adiabatic and toward homogeneous assumptions. The mean bias induced by drizzle-influenced profiles was shown to be on the order of 5-10 g/m 2 . In contrast, the influence of cloud top entrainment was found to be smaller by about a factor of 2. A theoretical framework is developed to explain variability in LWP retrievals by introducing modifications to the adiabatic r e profile. In addition to analyzing bispectral retrievals, we also compare results with the vertical profile sensitivity of passive polarimetric retrieval techniques.

The impact of cloud vertical profile on liquid water path retrieval based on the bispectral method: A theoretical study based on large-eddy simulations of shallow marine boundary layer clouds

PubMed Central

Miller, Daniel J.; Zhang, Zhibo; Ackerman, Andrew S.; Platnick, Steven; Baum, Bryan A.

2018-01-01

Passive optical retrievals of cloud liquid water path (LWP), like those implemented for Moderate Resolution Imaging Spectroradiometer (MODIS), rely on cloud vertical profile assumptions to relate optical thickness (τ) and effective radius (re) retrievals to LWP. These techniques typically assume that shallow clouds are vertically homogeneous; however, an adiabatic cloud model is plausibly more realistic for shallow marine boundary layer cloud regimes. In this study a satellite retrieval simulator is used to perform MODIS-like satellite retrievals, which in turn are compared directly to the large-eddy simulation (LES) output. This satellite simulator creates a framework for rigorous quantification of the impact that vertical profile features have on LWP retrievals, and it accomplishes this while also avoiding sources of bias present in previous observational studies. The cloud vertical profiles from the LES are often more complex than either of the two standard assumptions, and the favored assumption was found to be sensitive to cloud regime (cumuliform/stratiform). Confirming previous studies, drizzle and cloud top entrainment of dry air are identified as physical features that bias LWP retrievals away from adiabatic and toward homogeneous assumptions. The mean bias induced by drizzle-influenced profiles was shown to be on the order of 5–10 g/m2. In contrast, the influence of cloud top entrainment was found to be smaller by about a factor of 2. A theoretical framework is developed to explain variability in LWP retrievals by introducing modifications to the adiabatic re profile. In addition to analyzing bispectral retrievals, we also compare results with the vertical profile sensitivity of passive polarimetric retrieval techniques. PMID:29637042

Commentary.

ERIC Educational Resources Information Center

Wertsch, James V.

1993-01-01

Agrees with the distinction, made by Lawrence and Valsiner in the previous article, between theoretical approaches concerning internalization that view internalization as cultural transmission and internalization as constructive transformation. Concurs with criticisms of these approaches, and questions the need for the notion of internalization in…

p-exponent and p-leaders, Part II: Multifractal analysis. Relations to detrended fluctuation analysis

NASA Astrophysics Data System (ADS)

Leonarduzzi, R.; Wendt, H.; Abry, P.; Jaffard, S.; Melot, C.; Roux, S. G.; Torres, M. E.

2016-04-01

Multifractal analysis studies signals, functions, images or fields via the fluctuations of their local regularity along time or space, which capture crucial features of their temporal/spatial dynamics. It has become a standard signal and image processing tool and is commonly used in numerous applications of different natures. In its common formulation, it relies on the Hölder exponent as a measure of local regularity, which is by nature restricted to positive values and can hence be used for locally bounded functions only. In this contribution, it is proposed to replace the Hölder exponent with a collection of novel exponents for measuring local regularity, the p-exponents. One of the major virtues of p-exponents is that they can potentially take negative values. The corresponding wavelet-based multiscale quantities, the p-leaders, are constructed and shown to permit the definition of a new multifractal formalism, yielding an accurate practical estimation of the multifractal properties of real-world data. Moreover, theoretical and practical connections to and comparisons against another multifractal formalism, referred to as multifractal detrended fluctuation analysis, are achieved. The performance of the proposed p-leader multifractal formalism is studied and compared to previous formalisms using synthetic multifractal signals and images, illustrating its theoretical and practical benefits. The present contribution is complemented by a companion article studying in depth the theoretical properties of p-exponents and the rich classification of local singularities it permits.

An experimental, theoretical and event-driven computational study of narrow vibrofluidised granular materials

NASA Astrophysics Data System (ADS)

Thornton, Anthony; Windows-Yule, Kit; Parker, David; Luding, Stefan

2017-06-01

We review simulations, experiments and a theoretical treatment of vertically vibrated granular media. The systems considered are confined in narrow quasi-two-dimensional and quasi-one-dimensional (column) geometries, where the vertical extension of the container is much larger than one or both horizontal lengths. The additional geometric constraint present in the column setup frustrates the convection state that is normally observed in wider geometries. We start by showing that the Event Driven (ED) simulation method is able to accurately reproduce the previously experimentally determined phase-diagram for vibrofludised granular materials. We then review two papers that used ED simulations to study narrow quasi-one-dimensional systems revealing a new phenomenon: collective oscillations of the grains with a characteristic frequency that is much lower than the frequency of energy injection. Theoretical work was then undertaken that is able to accurately predict the frequency of such an oscillation and Positron Emission Particle Tracking (PEPT) experiments were undertaken to provide the first experimental evidence of this new phenomenon. Finally, we briefly discuss ongoing work to create an open-source version of this ED via its integration in the existing open-source package MercuryDPM (http://MercuryDPM.org); which has many advanced features that are not found in other codes.

Perceived Control and Psychological Contract Breach as Explanations of the Relationships Between Job Insecurity, Job Strain and Coping Reactions: Towards a Theoretical Integration.

PubMed

Vander Elst, Tinne; De Cuyper, Nele; Baillien, Elfi; Niesen, Wendy; De Witte, Hans

2016-04-01

This study aims to further knowledge on the mechanisms through which job insecurity is related to negative outcomes. Based on appraisal theory, two explanations-perceived control and psychological contract breach-were theoretically integrated in a comprehensive model and simultaneously examined as mediators of the job insecurity-outcome relationship. Different categories of outcomes were considered, namely work-related (i.e. vigour and need for recovery) and general strain (i.e. mental and physical health complaints), as well as psychological (i.e. job satisfaction and organizational commitment) and behavioural coping reactions (i.e. self-rated performance and innovative work behaviour). The hypotheses were tested using data of a heterogeneous sample of 2413 Flemish employees by means of both single and multiple mediator structural equation modelling analyses (bootstrapping method). Particularly, psychological contract breach accounted for the relationship between job insecurity and strain. Both perceived control and psychological contract breach mediated the relationships between job insecurity and psychological coping reactions, although the indirect effects were larger for psychological contract breach. Finally, perceived control was more important than psychological contract breach in mediating the relationships between job insecurity and behavioural coping reactions. This study meets previous calls for a theoretical integration regarding mediators of the job insecurity-outcome relationship. Copyright © 2014 John Wiley & Sons, Ltd.

Implications of "Too Good to Be True" for Replication, Theoretical Claims, and Experimental Design: An Example Using Prominent Studies of Racial Bias.

PubMed

Francis, Gregory

2016-01-01

In response to concerns about the validity of empirical findings in psychology, some scientists use replication studies as a way to validate good science and to identify poor science. Such efforts are resource intensive and are sometimes controversial (with accusations of researcher incompetence) when a replication fails to show a previous result. An alternative approach is to examine the statistical properties of the reported literature to identify some cases of poor science. This review discusses some details of this process for prominent findings about racial bias, where a set of studies seems "too good to be true." This kind of analysis is based on the original studies, so it avoids criticism from the original authors about the validity of replication studies. The analysis is also much easier to perform than a new empirical study. A variation of the analysis can also be used to explore whether it makes sense to run a replication study. As demonstrated here, there are situations where the existing data suggest that a direct replication of a set of studies is not worth the effort. Such a conclusion should motivate scientists to generate alternative experimental designs that better test theoretical ideas.

Implications of “Too Good to Be True” for Replication, Theoretical Claims, and Experimental Design: An Example Using Prominent Studies of Racial Bias

PubMed Central

Francis, Gregory

2016-01-01

In response to concerns about the validity of empirical findings in psychology, some scientists use replication studies as a way to validate good science and to identify poor science. Such efforts are resource intensive and are sometimes controversial (with accusations of researcher incompetence) when a replication fails to show a previous result. An alternative approach is to examine the statistical properties of the reported literature to identify some cases of poor science. This review discusses some details of this process for prominent findings about racial bias, where a set of studies seems “too good to be true.” This kind of analysis is based on the original studies, so it avoids criticism from the original authors about the validity of replication studies. The analysis is also much easier to perform than a new empirical study. A variation of the analysis can also be used to explore whether it makes sense to run a replication study. As demonstrated here, there are situations where the existing data suggest that a direct replication of a set of studies is not worth the effort. Such a conclusion should motivate scientists to generate alternative experimental designs that better test theoretical ideas. PMID:27713708

Meta-Study as Diagnostic: Toward Content Over Form in Qualitative Synthesis.

PubMed

Frost, Julia; Garside, Ruth; Cooper, Chris; Britten, Nicky

2016-02-01

Having previously conducted qualitative syntheses of the diabetes literature, we wanted to explore the changes in theoretical approaches, methodological practices, and the construction of substantive knowledge which have recently been presented in the qualitative diabetes literature. The aim of this research was to explore the feasibility of synthesizing existing qualitative syntheses of patient perspectives of diabetes using meta-study methodology. A systematic review of qualitative literature, published between 2000 and 2013, was conducted. Six articles were identified as qualitative syntheses. The meta-study methodology was used to compare the theoretical, methodological, analytic, and synthetic processes across the six studies, exploring the potential for an overarching synthesis. We identified that while research questions have increasingly concentrated on specific aspects of diabetes, the focus on systematic review processes has led to the neglect of qualitative theory and methods. This can inhibit the production of compelling results with meaningful clinical applications. Although unable to produce a synthesis of syntheses, we recommend that researchers who conduct qualitative syntheses pay equal attention to qualitative traditions and systematic review processes, to produce research products that are both credible and applicable. © The Author(s) 2015.

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.

Impact of exchanges and client-therapist alliance in online-text psychotherapy.

PubMed

Reynolds, D'Arcy J; Stiles, William B; Bailer, A John; Hughes, Michael R

2013-05-01

The impact of exchanges and client-therapist alliance of online therapy text exchanges were compared to previously published results in face-to-face therapy, and the moderating effects of four participant factors found significant in previously published face-to-face studies were investigated using statistical mixed-effect modeling analytic techniques. Therapists (N=30) and clients (N=30) engaged in online therapy were recruited from private practitioner sites, e-clinics, online counseling centers, and mental-health-related discussion boards. In a naturalistic design, they each visited an online site weekly and completed the standard impact and alliance questionnaires for at least 6 weeks. Results indicated that the impact of exchanges and client-therapist alliance in text therapy was similar to, but in some respects more positive than, previous evaluations of face-to-face therapy. The significance of participant factors previously found to influence impact and alliance in face-to-face therapy (client symptom severity, social support, therapist theoretical orientation, and therapist experience) was not replicated, except that therapists with the more symptomatic clients rated their text exchanges as less smooth and comfortable. Although its small size and naturalistic design impose limitations on sensitivity and generalizability, this study provides some insights into treatment impact and the alliance in online therapy.

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

Real-time value-driven diagnosis

NASA Technical Reports Server (NTRS)

Dambrosio, Bruce

1995-01-01

Diagnosis is often thought of as an isolated task in theoretical reasoning (reasoning with the goal of updating our beliefs about the world). We present a decision-theoretic interpretation of diagnosis as a task in practical reasoning (reasoning with the goal of acting in the world), and sketch components of our approach to this task. These components include an abstract problem description, a decision-theoretic model of the basic task, a set of inference methods suitable for evaluating the decision representation in real-time, and a control architecture to provide the needed continuing coordination between the agent and its environment. A principal contribution of this work is the representation and inference methods we have developed, which extend previously available probabilistic inference methods and narrow, somewhat, the gap between probabilistic and logical models of diagnosis.

Scaling Up Decision Theoretic Planning to Planetary Rover Problems

NASA Technical Reports Server (NTRS)

Meuleau, Nicolas; Dearden, Richard; Washington, Rich

2004-01-01

Because of communication limits, planetary rovers must operate autonomously during consequent durations. The ability to plan under uncertainty is one of the main components of autonomy. Previous approaches to planning under uncertainty in NASA applications are not able to address the challenges of future missions, because of several apparent limits. On another side, decision theory provides a solid principle framework for reasoning about uncertainty and rewards. Unfortunately, there are several obstacles to a direct application of decision-theoretic techniques to the rover domain. This paper focuses on the issues of structure and concurrency, and continuous state variables. We describes two techniques currently under development that address specifically these issues and allow scaling-up decision theoretic solution techniques to planetary rover planning problems involving a small number of goals.

Difference of Horizontal-to-Vertical (H/V) Spectral Ratios of Microtremors and Earthquake Motions: Theory and Observation

NASA Astrophysics Data System (ADS)

Kawase, H.; Nagashima, F.; Matsushima, S.; Sanchez-Sesma, F. J.

2013-05-01

Horizontal-to-vertical spectral ratios (HVRs) of microtremors have been traditionally interpreted theoretically as representing the Rayleigh wave ellipticity or just utilized a convenient tool to extract predominant periods of ground. However, based on the diffuse field theory (Sánchez-Sesma et al., 2011) the microtremor H/V spectral ratios (MHVRs) correspond to the square root of the ratio of the imaginary part of horizontal displacement for a horizontally applied unit harmonic load and the imaginary part of vertical displacement for a vertically applied unit load. The same diffuse field concept leads us to derive a simple formula for earthquake HVRs (EHVRs), that is, the ratio of the horizontal motion on the surface for a vertical incidence of S wave divided by the vertical motion on the surface for a vertical incidence of P wave with a fixed coefficient (Kawase et al., 2011). The difference for EHVRs comes from the fact that primary contribution of earthquake motions would be of plane body waves. Traditionally EHVRs are interpreted as the responses of inclined SV wave incidence only for their S wave portions. Without these compact theoretical solutions, EHVRs and MHVRs are either considered to be very similar/equivalent, or totally different in the previous studies. With these theoretical solutions we need to re-focus our attention on the difference of HVRs. Thus we have compared here HVRs at several dozens of strong motion stations in Japan. When we compared observed HVRs we found that EHVRs tend to be higher in general than the MHVRs, especially around their peaks. As previously reported, their general shapes share the common features. Especially their fundamental peak and trough frequencies show quite a good match to each other. However, peaks in EHVRs in the higher frequency range would not show up in MHVRs. When we calculated theoretical HVRs separately at these target sites, their basic characteristics correspond to these observed differences. At this stage of research we found that the underground structures that are optimized for EHVRs would not explain perfectly MHVRs. This strongly suggests that we need to optimize underground structures to explain both EHVRs and MHVRs at the same time.

Electron-positron momentum distribution measurements of high-T superconductors and related systems

NASA Astrophysics Data System (ADS)

Wachs, A. L.; Turchi, P. E. A.; Howell, R. J.; Jean, Y. C.; Fluss, M. J.; West, R. N.; Kaiser, J. H.; Rayner, S.; Hahgighi, H.; Merkle, K. L.

1989-08-01

Measurements are discussed of the 2-D angular correlation of positron annihilation radiation (ACAR) in La2CuO4, YBa2Cu3O7 (YBCO), and NiO. The measurements for NiO are the first such 2-D ACAR measurements; the YBCO results are of a higher statistical quality than previously reported in the literature. The data are compared with complementary theoretical calculations and with each other. The implication is discussed of the analysis for ACAR studies of similar and related systems.

Efficiency enhancement of slow-wave electron-cyclotron maser by a second-order shaping of the magnetic field in the low-gain limit

NASA Astrophysics Data System (ADS)

Liu, Si-Jia; Zhang, Yu-Fei; Wang, Kang; Li, Yong-Ming; Jing, Jian

2017-03-01

Based on the anomalous Doppler effect, we put forward a proposal to enhance the conversion efficiency of the slow-wave electron cyclotron masers (ECM) under the resonance condition. Compared with previous studies, we add a second-order shaping term in the guild magnetic field. Theoretical analyses and numerical calculations show that it can enhance the conversion efficiency in the low-gain limit. The case of the initial velocity spread of electrons satisfying the Gaussian distribution is also analysed numerically.

Efficiency enhancement of slow-wave electron-cyclotron maser by a second-order shaping of the magnetic field in the low-gain limit

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

Liu, Si-Jia; Zhang, Yu-Fei; Wang, Kang

Based on the anomalous Doppler effect, we put forward a proposal to enhance the conversion efficiency of the slow-wave electron cyclotron masers (ECM) under the resonance condition. Compared with previous studies, we add a second-order shaping term in the guild magnetic field. Theoretical analyses and numerical calculations show that it can enhance the conversion efficiency in the low-gain limit. The case of the initial velocity spread of electrons satisfying the Gaussian distribution is also analysed numerically.